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AMP deaminase AlphaSync

AMP deaminase plays a critical role in energy metabolism. Catalyzes the deamination of AMP to IMP and plays an important role in the purine nucleotide cycle.

AlphaFold DB , UniProt , Accession A0A5K4F3M5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 971 aa.

						>A0A5K4F3M5_SCHMA|A0A5K4F3M5
MDHKINEITENIKQRGREGAYPLFKETGPEYVMPKFPIERKEMEDHILELKLARALGVADNDSKLPINEENHDLTILNPLATSKVISSDNCNSVESITNGHESVLLSKNNIFNKDSSNSSSVLPETSSDEPNFHSNQSVTSDMNTFSLESGNRMQPRLTQNNVQFQSEQNCGGSLFRRLYSIPSTNNDGFPIYLAPAPNTGVFTDVVPVLQEVEEGAEAHLESAAVEFQRVQICGDDTLGVPVDDLHLASEALIKALLLRQKYITSSQQSFHCTTKRYLSVLDSGSVKSLDSEEKQYKSIHTPVFGSNTVDNITNTNIIPINYSYNNINSTVHYIRTCRRISSLEDHPIHPPEKTGDPFEIDYWPEPLDVTMEFRKGIMHIETLSDSPDRSHVNLINGTSEHNHNETVDVDQPMKKDLPEFIIPSLQTFFSDFDTIRTFVGDGPLKSFCYRRLTYLASKFQLHSLLNEARESIEQKRVSHRDFYNIRKVDTHIHASSCMNQKHLLRFIKKTIRTKSDTYVCEDPKTKKPMTLSELVDKIGITLYDLNIDNLDVHADRNTFHRFDKFNAKYNPIGQSQLREVFLKTDNYIKGVFFAHVLKEVFYDFSESKYQNAEPRLSIYGRSINEWDNLARWAIDCKVYSDNIRWLIQVPRLFDVYHAKGSMKYFQDIITNVFQPLFEATVNPKSHPELHAFLQYVTGFDSVDDESKSDKIVFNASTPTPDEYDLNENPPYSYYIFYMFANISQLNQLRSHRGLNTFSFRPHSGEAGNINHLVTCFLLAESINHGLLLRKAPVLQYLYYIAQIGIAMSPLSNNSLFLDYHRNPLNDFLARGLFVSLSTDDPLQFHFTKEPLIEEYSIAAQVWKFTSTDMCELARNSVLMSGFSPLIKSHWLGPNYTQEGVMGNDITRSNLPNIRVAYRFETLTQELRLLLNSVLASRTSGSVSPGSNTVMLSPKKTHTSTDSSRIDHLKK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	68.5	Low	195 Å²	195	113.8 Å²	113.8	96%	0.961	57%	0.566	S	S	*	*				0	-43.5	0	-91.7	-174.6	-93.4	0	0	111.1	H3 K4 I5	M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.17Å; M1-K4 PolarHBondContact O-N 3.01Å; M1-I5 PolarHBondContact O-N 2.84Å
2	D	61	Low	68.1	Low	122 Å²	122	114.1 Å²	114.1	65%	0.652	57%	0.569	S	S	*	*	H	α-helix	trans	-56.9	-35.3	179.8	-54.1	-39	0	0	0	114.5	K4 I5 N6	D2-K4 PolarHBondContact O-N 3.46Å; D2-I5 PolarHBondContact O-N 3.3Å; D2-N6 WeakPolarHBondContact O-CB 3.4Å; D2-N6 PolarHBondContact O-N 2.97Å
3	H	65.7	Low	67.5	Low	150 Å²	150	115.7 Å²	115.7	69%	0.694	57%	0.57	S	S	*	*	H	α-helix	trans	-62.8	-40.3	173.8	-168.3	-74	0	0	0	112.9	M1 N6 E7	M1-H3 VanDerWaalsContact C-N 3.28Å; M1-H3 PolarHBondContact O-N 3.17Å; H3-N6 PolarHBondContact O-N 3.22Å; H3-E7 WeakPolarHBondContact O-CB 3.46Å; H3-E7 PolarHBondContact O-N 2.86Å
4	K	66.6	Low	66.4	Low	152 Å²	152	118.4 Å²	118.4	66%	0.661	58%	0.58	S	S	*	*	H	α-helix	trans	-71.1	-33.9	176.4	-80.7	-176.5	173.3	-178.1	0	111.7	M1 D2 I8	M1-K4 PolarHBondContact O-N 3.01Å; D2-K4 PolarHBondContact O-N 3.46Å; K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.42Å; K4-I8 PolarHBondContact O-N 2.71Å
5	I	75.7	Confident	64.9	Low	94 Å²	94	125.3 Å²	125.3	48%	0.482	60%	0.598	S	S	.	*	H	α-helix	trans	-68.1	-41.9	174.6	-65.7	172.5	0	0	0	110.4	M1 D2 I8 T9	M1-I5 PolarHBondContact O-N 2.84Å; D2-I5 PolarHBondContact O-N 3.3Å; I5-I8 PolarHBondContact O-N 3.05Å; I5-T9 WeakPolarHBondContact O-CB 3.22Å; I5-T9 PolarHBondContact O-N 3.46Å; I5-T9 PolarHBondContact O-OG1 2.93Å
6	N	76.9	Confident	63.1	Low	104 Å²	104	121.2 Å²	121.2	56%	0.556	60%	0.598	S	S	*	*	H	α-helix	trans	-65.3	-40.1	174.8	-78.5	-16.6	0	0	0	112.1	D2 H3 T9 E10	D2-N6 WeakPolarHBondContact O-CB 3.4Å; D2-N6 PolarHBondContact O-N 2.97Å; H3-N6 PolarHBondContact O-N 3.22Å; N6-T9 PolarHBondContact O-N 2.94Å; N6-E10 WeakPolarHBondContact O-CB 3.36Å; N6-E10 PolarHBondContact O-N 3.29Å
7	E	76.1	Confident	61.6	Low	104 Å²	104	127.6 Å²	127.6	49%	0.486	61%	0.614	S	S	.	*	H	α-helix	trans	-64.8	-39.8	176.3	-169.8	-180	-179.2	0	0	112.4	H3 N11	H3-E7 WeakPolarHBondContact O-CB 3.46Å; H3-E7 PolarHBondContact O-N 2.86Å; E7-N11 VanDerWaalsContact O-CB 3.31Å; E7-N11 WeakPolarHBondContact O-CB 3.48Å; E7-N11 PolarHBondContact O-N 2.98Å; E7-N11 PolarHBondContact O-ND2 3.47Å
8	I	73.8	Confident	60.4	Low	103 Å²	103	131.3 Å²	131.3	53%	0.528	63%	0.631	S	S	.	*	H	α-helix	trans	-68.8	-39.1	174.1	-68.3	166.8	0	0	0	110.7	K4 I5 N11 I12	K4-I8 VanDerWaalsContact O-CG1 3.26Å; K4-I8 WeakPolarHBondContact O-CG1 3.42Å; K4-I8 PolarHBondContact O-N 2.71Å; I5-I8 PolarHBondContact O-N 3.05Å; I8-N11 PolarHBondContact O-N 3.41Å; I8-I12 HydrophobicContact CG2-CD1 3.75Å; I8-I12 HydrophobicContact CG2-CG1 4.48Å; I8-I12 WeakPolarHBondContact O-CB 3.42Å; I8-I12 WeakPolarHBondContact O-CD1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 2.89Å
9	T	73.5	Confident	58.9	Low	57 Å²	57	128.6 Å²	128.6	35%	0.35	64%	0.641	S	S	.	*	H	α-helix	trans	-67.6	-41.2	179.5	-56.5	0	0	0	0	111.9	I5 N6 I12 K13	I5-T9 WeakPolarHBondContact O-CB 3.22Å; I5-T9 PolarHBondContact O-N 3.46Å; I5-T9 PolarHBondContact O-OG1 2.93Å; N6-T9 PolarHBondContact O-N 2.94Å; T9-I12 PolarHBondContact O-N 3.43Å; T9-K13 WeakPolarHBondContact O-CG 3.39Å; T9-K13 PolarHBondContact O-N 3.03Å
10	E	70.7	Confident	57.6	Low	90 Å²	90	126.8 Å²	126.8	42%	0.421	65%	0.647	S	S	.	*	H	α-helix	trans	-70.1	-36.4	175.2	-74.2	-57.6	129.6	0	0	112.1	N6 I12 K13 Q14	N6-E10 WeakPolarHBondContact O-CB 3.36Å; N6-E10 PolarHBondContact O-N 3.29Å; E10-I12 VanDerWaalsContact C-N 3.31Å; E10-I12 PolarHBondContact O-N 3.27Å; E10-K13 PolarHBondContact O-N 3.42Å; E10-K13 WeakPolarHBondContact OE1-CD 3.32Å; E10-K13 IonicContact OE1-NZ 3.01Å; E10-K13 PolarHBondContact OE1-NZ 2.96Å; E10-Q14 WeakPolarHBondContact O-CG 3.49Å; E10-Q14 PolarHBondContact O-N 3.02Å
11	N	64.3	Low	56.5	Low	81 Å²	81	131.5 Å²	131.5	43%	0.433	66%	0.658	S	S	.	*	H	α-helix	trans	-64.9	-32.6	172	-84.4	-51	0	0	0	113.1	E7 I8 R15	E7-N11 VanDerWaalsContact O-CB 3.31Å; E7-N11 WeakPolarHBondContact O-CB 3.48Å; E7-N11 PolarHBondContact O-N 2.98Å; E7-N11 PolarHBondContact O-ND2 3.47Å; I8-N11 PolarHBondContact O-N 3.41Å; N11-R15 WeakPolarHBondContact O-CG 3.31Å; N11-R15 PolarHBondContact O-N 2.91Å
12	I	63.7	Low	55.8	Low	117 Å²	117	127.1 Å²	127.1	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-74.3	-37.2	174.6	-69.7	166.8	0	0	0	111	I8 T9 E10 R15	I8-I12 HydrophobicContact CG2-CD1 3.75Å; I8-I12 HydrophobicContact CG2-CG1 4.48Å; I8-I12 WeakPolarHBondContact O-CB 3.42Å; I8-I12 WeakPolarHBondContact O-CD1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.32Å; I8-I12 PolarHBondContact O-N 2.89Å; T9-I12 PolarHBondContact O-N 3.43Å; E10-I12 VanDerWaalsContact C-N 3.31Å; E10-I12 PolarHBondContact O-N 3.27Å; I12-R15 PolarHBondContact O-N 3.24Å
13	K	59.8	Low	54.4	Low	135 Å²	135	129 Å²	129	59%	0.587	65%	0.653	S	S	*	*	H	α-helix	trans	-69.2	-35.4	175.8	-76.1	177.5	-172.4	167.3	0	113.3	T9 E10 R15	T9-K13 WeakPolarHBondContact O-CG 3.39Å; T9-K13 PolarHBondContact O-N 3.03Å; E10-K13 PolarHBondContact O-N 3.42Å; E10-K13 WeakPolarHBondContact OE1-CD 3.32Å; E10-K13 IonicContact OE1-NZ 3.01Å; E10-K13 PolarHBondContact OE1-NZ 2.96Å; K13-R15 VanDerWaalsContact C-N 3.3Å; K13-R15 PolarHBondContact O-N 3.36Å
14	Q	52.9	Low	52.8	Low	153 Å²	153	132.5 Å²	132.5	72%	0.715	67%	0.667	S	S	*	*	H	α-helix	trans	-72.9	-21.4	177.2	-73	-173.5	4.2	0	0	113.2	E10 G16	E10-Q14 WeakPolarHBondContact O-CG 3.49Å; E10-Q14 PolarHBondContact O-N 3.02Å; Q14-G16 VanDerWaalsContact C-N 3.29Å; Q14-G16 PolarHBondContact O-N 3.46Å
15	R	43.8	Very low	51.2	Low	223 Å²	223	133.5 Å²	133.5	84%	0.842	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	8.4	177.6	-75.5	-178.7	177.2	-166	-0.3	114.7	N11 I12 K13	N11-R15 WeakPolarHBondContact O-CG 3.31Å; N11-R15 PolarHBondContact O-N 2.91Å; I12-R15 PolarHBondContact O-N 3.24Å; K13-R15 VanDerWaalsContact C-N 3.3Å; K13-R15 PolarHBondContact O-N 3.36Å
16	G	36.1	Very low	49.1	Very low	59 Å²	59	136.7 Å²	136.7	61%	0.608	68%	0.684	S	S	*	*	S	Bend	trans	-102.8	9.2	-170.2	0	0	0	0	0	117.9	Q14	Q14-G16 VanDerWaalsContact C-N 3.29Å; Q14-G16 PolarHBondContact O-N 3.46Å
17	R	37.8	Very low	47.2	Very low	230 Å²	230	139 Å²	139	87%	0.868	70%	0.702	S	S	*	*	S	Bend	trans	-138.9	128.9	-180	-74.4	-174.3	179.4	174.3	0.2	112.6
18	E	39.1	Very low	45.2	Very low	195 Å²	195	137.5 Å²	137.5	91%	0.911	72%	0.715	S	S	*	*			trans	92.1	96.8	164.3	-57.3	179.6	-173.3	0	0	119
19	G	32	Very low	43.3	Very low	80 Å²	80	138.9 Å²	138.9	83%	0.825	73%	0.731	S	S	*	*				74.7	109.2	123.2	0	0	0	0	0	123.2
20	A	32.5	Very low	41.3	Very low	91 Å²	91	144.3 Å²	144.3	75%	0.752	75%	0.752	S	S	*	*			trans	54.7	106.6	141.8	0	0	0	0	0	123.3
21	Y	35.1	Very low	39.5	Very low	226 Å²	226	151.5 Å²	151.5	89%	0.886	78%	0.777	S	S	*	*			trans	64.4	168.5	163.5	-65.9	-82.2	0	0	0	117.1
22	P	35.7	Very low	37.9	Very low	104 Å²	104	153.3 Å²	153.3	68%	0.675	79%	0.791	S	S	*	*				-129.7	136.4	-64.2	34.6	-18.6	0	0	0	111.3
23	L	31.3	Very low	36.3	Very low	160 Å²	160	154.9 Å²	154.9	84%	0.838	80%	0.797	S	S	*	*			trans	-167.6	106.8	168.6	-101.9	135.1	0	0	0	113.3
24	F	30.8	Very low	35.1	Very low	224 Å²	224	152.9 Å²	152.9	98%	0.982	80%	0.798	S	S	*	*			trans	-150.5	91.6	132.6	-97.3	-74.5	0	0	0	107.2
25	K	33.2	Very low	34	Very low	173 Å²	173	155 Å²	155	75%	0.752	81%	0.805	S	S	*	*			trans	-111	122.4	164.3	-123.9	-173.2	-179.3	-170.6	0	107
26	E	32.4	Very low	33.6	Very low	161 Å²	161	152.8 Å²	152.8	75%	0.752	80%	0.802	S	S	*	*			trans	50.3	118.5	151	-67.6	171.1	170.8	0	0	119.6
27	T	36.1	Very low	33.6	Very low	152 Å²	152	155.3 Å²	155.3	93%	0.933	81%	0.808	S	S	*	*				-174.8	121.3	119.2	30.2	0	0	0	0	111.9
28	G	34.4	Very low	33.8	Very low	74 Å²	74	149.7 Å²	149.7	76%	0.763	79%	0.793	S	S	*	*			trans	113.9	111	151.9	0	0	0	0	0	117.8
29	P	34.3	Very low	34.3	Very low	131 Å²	131	146.5 Å²	146.5	85%	0.851	78%	0.779	S	S	*	*			trans	-103.1	73.3	165.5	37.6	-25.4	0	0	0	110.3
30	E	32.1	Very low	35	Very low	171 Å²	171	152.5 Å²	152.5	80%	0.799	78%	0.777	S	S	*	*			trans	-144.7	88.2	168.7	-76.4	-167.8	161.1	0	0	110.5
31	Y	32.8	Very low	36.1	Very low	241 Å²	241	155.1 Å²	155.1	95%	0.945	77%	0.771	S	S	*	*			trans	-95.9	93.3	154.6	-112	-90.4	0	0	0	107.5	M33	Y31-M33 PolarHBondContact O-N 3.39Å
32	V	29.8	Very low	37.4	Very low	120 Å²	120	150.3 Å²	150.3	73%	0.727	76%	0.756	S	S	*	*			trans	-73.2	105.1	168.1	177.5	0	0	0	0	107.3
33	M	31.4	Very low	38.2	Very low	149 Å²	149	150 Å²	150	73%	0.734	75%	0.747	S	S	*	*			trans	-62.9	135.9	169.1	-151.7	-166	85.1	0	0	108.7	Y31 K35	Y31-M33 PolarHBondContact O-N 3.39Å; M33-K35 PolarHBondContact O-N 2.87Å
34	P	32.9	Very low	39.9	Very low	93 Å²	93	147.5 Å²	147.5	60%	0.604	73%	0.731	S	S	*	*			trans	-61.4	110.1	173.5	-14.2	26.9	0	0	0	108.6	F36	P34-F36 HydrophobicContact CB-CE2 4.41Å; P34-F36 PolarHBondContact O-N 3.07Å; P34-F36 VanDerWaalsContact O-N 3.09Å
35	K	30.4	Very low	41.8	Very low	198 Å²	198	141.4 Å²	141.4	86%	0.861	71%	0.709	S	S	*	*			trans	-69.3	100.6	165.9	-74.8	-176.5	178.4	179.6	0	106.9	M33 P37	M33-K35 PolarHBondContact O-N 2.87Å; K35-P37 VanDerWaalsContact O-CD 3.3Å; K35-P37 WeakPolarHBondContact O-CD 3.46Å
36	F	35	Very low	43.4	Very low	177 Å²	177	138.4 Å²	138.4	78%	0.776	70%	0.697	S	S	*	*			trans	-73.4	115	158.4	-78.7	-81.5	0	0	0	107.5	P34 I38	P34-F36 HydrophobicContact CB-CE2 4.41Å; P34-F36 PolarHBondContact O-N 3.07Å; P34-F36 VanDerWaalsContact O-N 3.09Å; F36-I38 PolarHBondContact O-N 3.48Å; F36-I38 VanDerWaalsContact O-N 3.16Å
37	P	36.5	Very low	45.1	Very low	112 Å²	112	134.8 Å²	134.8	73%	0.727	68%	0.682	S	S	*	*			trans	-79.8	93.3	167.1	31	-22	0	0	0	106.2	K35 E39	K35-P37 VanDerWaalsContact O-CD 3.3Å; K35-P37 WeakPolarHBondContact O-CD 3.46Å; P37-E39 PolarHBondContact O-N 3.43Å
38	I	43.1	Very low	46.7	Very low	111 Å²	111	132.4 Å²	132.4	57%	0.569	66%	0.663	S	S	*	*			trans	-74.2	109	155.7	-66	172.6	0	0	0	104.2	F36 R40 M43	F36-I38 PolarHBondContact O-N 3.48Å; F36-I38 VanDerWaalsContact O-N 3.16Å; I38-R40 PolarHBondContact O-N 3.15Å; I38-M43 HydrophobicContact CB-CE 4.24Å; I38-M43 HydrophobicContact CG2-CB 4.44Å; I38-M43 HydrophobicContact CG2-CE 3.69Å
39	E	48.6	Very low	48.4	Very low	128 Å²	128	134.8 Å²	134.8	60%	0.598	65%	0.654	S	S	*	*			trans	-57	122.2	179.3	-67.4	-173.5	162.8	0	0	108	P37 K41 E42 M43	P37-E39 PolarHBondContact O-N 3.43Å; E39-K41 PolarHBondContact O-N 2.81Å; E39-E42 PolarHBondContact O-N 3.16Å; E39-M43 PolarHBondContact O-N 3.02Å
40	R	46	Very low	49.7	Very low	207 Å²	207	133.8 Å²	133.8	78%	0.781	64%	0.642	S	S	*	*	H	α-helix	trans	-46.3	-27.7	-178.9	-151.3	-178.6	-153.1	166.5	3.1	112.7	I38 E44	I38-R40 PolarHBondContact O-N 3.15Å; R40-E44 WeakPolarHBondContact O-CB 3.2Å; R40-E44 VanDerWaalsContact O-CG 3.24Å; R40-E44 WeakPolarHBondContact O-CG 3.42Å; R40-E44 PolarHBondContact O-N 3.49Å
41	K	57.4	Low	51.2	Low	145 Å²	145	132.5 Å²	132.5	63%	0.63	63%	0.633	S	S	*	*	H	α-helix	trans	-72.1	-40.8	179	-151.1	176.8	-177.5	-174.4	0	113.8	E39 M43 E44 D45	E39-K41 PolarHBondContact O-N 2.81Å; K41-M43 VanDerWaalsContact C-N 3.33Å; K41-M43 PolarHBondContact O-N 3.47Å; K41-E44 PolarHBondContact O-N 3.43Å; K41-D45 WeakPolarHBondContact O-CB 3.42Å; K41-D45 PolarHBondContact O-N 3.02Å
42	E	61.4	Low	52.7	Low	125 Å²	125	125.4 Å²	125.4	58%	0.584	61%	0.611	S	S	*	*	H	α-helix	trans	-67.8	-35.5	176.1	-75.1	-175.1	150.2	0	0	111.6	E39 H46	E39-E42 PolarHBondContact O-N 3.16Å; E42-H46 WeakPolarHBondContact O-CB 3.49Å; E42-H46 PolarHBondContact O-N 3.43Å
43	M	53	Low	54.1	Low	99 Å²	99	122.9 Å²	122.9	49%	0.488	60%	0.603	S	S	.	*	H	α-helix	trans	-72.5	-37.4	175.8	-154	-173.8	-51.7	0	0	111.7	I38 E39 K41 I47	I38-M43 HydrophobicContact CB-CE 4.24Å; I38-M43 HydrophobicContact CG2-CB 4.44Å; I38-M43 HydrophobicContact CG2-CE 3.69Å; E39-M43 PolarHBondContact O-N 3.02Å; K41-M43 VanDerWaalsContact C-N 3.33Å; K41-M43 PolarHBondContact O-N 3.47Å; M43-I47 HydrophobicContact CG-CD1 4.35Å; M43-I47 WeakPolarHBondContact O-CB 3.37Å; M43-I47 WeakPolarHBondContact O-CD1 3.43Å; M43-I47 WeakPolarHBondContact O-CG1 3.42Å; M43-I47 PolarHBondContact O-N 3.07Å
44	E	66.6	Low	54.7	Low	107 Å²	107	126.1 Å²	126.1	50%	0.5	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-43.6	172.4	-80.6	170.5	-176.4	0	0	111.8	R40 K41 I47 L48	R40-E44 WeakPolarHBondContact O-CB 3.2Å; R40-E44 VanDerWaalsContact O-CG 3.24Å; R40-E44 WeakPolarHBondContact O-CG 3.42Å; R40-E44 PolarHBondContact O-N 3.49Å; K41-E44 PolarHBondContact O-N 3.43Å; E44-I47 PolarHBondContact O-N 2.99Å; E44-L48 WeakPolarHBondContact O-CB 3.24Å; E44-L48 PolarHBondContact O-N 3.21Å
45	D	70.6	Confident	55.4	Low	95 Å²	95	125 Å²	125	51%	0.508	61%	0.606	S	S	.	*	H	α-helix	trans	-66.7	-40.3	178.9	-71.9	-21.3	0	0	0	111.5	K41 L48 E49	K41-D45 WeakPolarHBondContact O-CB 3.42Å; K41-D45 PolarHBondContact O-N 3.02Å; D45-L48 WeakPolarHBondContact O-CB 2.98Å; D45-L48 PolarHBondContact O-N 3.3Å; D45-E49 WeakPolarHBondContact O-CB 3.47Å; D45-E49 PolarHBondContact O-N 3.47Å
46	H	66.5	Low	56.1	Low	111 Å²	111	122 Å²	122	51%	0.514	60%	0.598	S	S	.	*	H	α-helix	trans	-71.8	-32.4	177.3	-152.8	52.4	0	0	0	112.8	E42 E49 L50	E42-H46 WeakPolarHBondContact O-CB 3.49Å; E42-H46 PolarHBondContact O-N 3.43Å; H46-E49 IonicContact CE1-OE2 3.77Å; H46-E49 IonicContact ND1-OE2 3.5Å; H46-E49 PolarHBondContact ND1-OE2 2.86Å; H46-E49 VanDerWaalsContact ND1-OE2 3.14Å; H46-L50 WeakPolarHBondContact O-CB 3.33Å; H46-L50 WeakPolarHBondContact O-CG 3.35Å; H46-L50 PolarHBondContact O-N 3.17Å
47	I	68.7	Low	56.3	Low	84 Å²	84	116.8 Å²	116.8	43%	0.431	59%	0.594	S	S	.	*	H	α-helix	trans	-68.5	-35.3	170.3	-70.9	167.3	0	0	0	110.9	M43 E44 K51	M43-I47 HydrophobicContact CG-CD1 4.35Å; M43-I47 WeakPolarHBondContact O-CB 3.37Å; M43-I47 WeakPolarHBondContact O-CD1 3.43Å; M43-I47 WeakPolarHBondContact O-CG1 3.42Å; M43-I47 PolarHBondContact O-N 3.07Å; E44-I47 PolarHBondContact O-N 2.99Å; I47-K51 HydrophobicContact CG2-CD 4.18Å; I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 VanDerWaalsContact O-CG 3.26Å; I47-K51 WeakPolarHBondContact O-CG 3.48Å; I47-K51 PolarHBondContact O-N 3.1Å
48	L	69.2	Low	56.4	Low	102 Å²	102	117.7 Å²	117.7	53%	0.534	60%	0.597	S	S	.	*	H	α-helix	trans	-68.5	-40.8	174.6	-119.3	118.9	0	0	0	111.7	E44 D45 K51 L52	E44-L48 WeakPolarHBondContact O-CB 3.24Å; E44-L48 PolarHBondContact O-N 3.21Å; D45-L48 WeakPolarHBondContact O-CB 2.98Å; D45-L48 PolarHBondContact O-N 3.3Å; L48-K51 PolarHBondContact O-N 3.34Å; L48-L52 HydrophobicContact CD2-CD1 4.27Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 PolarHBondContact O-N 3.34Å
49	E	70.1	Confident	55.9	Low	124 Å²	124	116.1 Å²	116.1	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-63.3	-44.5	176.8	-166.3	176.6	-155.2	0	0	111.5	D45 H46 K51 L52 A53	D45-E49 WeakPolarHBondContact O-CB 3.47Å; D45-E49 PolarHBondContact O-N 3.47Å; H46-E49 IonicContact CE1-OE2 3.77Å; H46-E49 IonicContact ND1-OE2 3.5Å; H46-E49 PolarHBondContact ND1-OE2 2.86Å; H46-E49 VanDerWaalsContact ND1-OE2 3.14Å; E49-K51 PolarHBondContact O-N 3.25Å; E49-L52 PolarHBondContact O-N 3.46Å; E49-A53 WeakPolarHBondContact O-CB 3.19Å; E49-A53 PolarHBondContact O-N 2.66Å
50	L	62.1	Low	55.2	Low	111 Å²	111	116.9 Å²	116.9	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-33.5	174.5	-74	167.7	0	0	0	112.9	H46 R54	H46-L50 WeakPolarHBondContact O-CB 3.33Å; H46-L50 WeakPolarHBondContact O-CG 3.35Å; H46-L50 PolarHBondContact O-N 3.17Å; L50-R54 WeakPolarHBondContact O-CB 3.41Å; L50-R54 PolarHBondContact O-N 3.16Å
51	K	62.9	Low	54.6	Low	144 Å²	144	113.7 Å²	113.7	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-72.1	-36.6	173.7	-77.9	177.6	177.6	-177.3	0	112.4	I47 L48 E49 R54 A55	I47-K51 HydrophobicContact CG2-CD 4.18Å; I47-K51 WeakPolarHBondContact O-CB 3.3Å; I47-K51 VanDerWaalsContact O-CG 3.26Å; I47-K51 WeakPolarHBondContact O-CG 3.48Å; I47-K51 PolarHBondContact O-N 3.1Å; L48-K51 PolarHBondContact O-N 3.34Å; E49-K51 PolarHBondContact O-N 3.25Å; K51-R54 PolarHBondContact O-N 3.41Å; K51-A55 WeakPolarHBondContact O-CB 3.35Å; K51-A55 PolarHBondContact O-N 3.43Å
52	L	64.7	Low	53.3	Low	92 Å²	92	114.5 Å²	114.5	48%	0.482	62%	0.619	S	S	.	*	H	α-helix	trans	-68.2	-42.4	173.9	-90.8	155.3	0	0	0	111.5	L48 E49 R54 A55 L56	L48-L52 HydrophobicContact CD2-CD1 4.27Å; L48-L52 WeakPolarHBondContact O-CB 3.43Å; L48-L52 PolarHBondContact O-N 3.34Å; E49-L52 PolarHBondContact O-N 3.46Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.49Å; L52-A55 PolarHBondContact O-N 2.96Å; L52-L56 HydrophobicContact CD2-CD1 4.34Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.23Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.44Å
53	A	58.9	Low	52.1	Low	67 Å²	67	113.8 Å²	113.8	55%	0.554	63%	0.627	S	S	*	*	H	α-helix	trans	-62.5	-34.4	175.3	0	0	0	0	0	112.5	E49	E49-A53 WeakPolarHBondContact O-CB 3.19Å; E49-A53 PolarHBondContact O-N 2.66Å
54	R	43.9	Very low	51.2	Low	217 Å²	217	118.9 Å²	118.9	82%	0.819	65%	0.647	S	S	*	*	H	α-helix	trans	-76.5	-30	175.2	-136.3	175.9	-165.2	175.5	2.6	113.2	L50 K51 L52	L50-R54 WeakPolarHBondContact O-CB 3.41Å; L50-R54 PolarHBondContact O-N 3.16Å; K51-R54 PolarHBondContact O-N 3.41Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.49Å
55	A	46.9	Very low	49.3	Very low	70 Å²	70	121.1 Å²	121.1	58%	0.579	66%	0.661	S	S	*	*	H	α-helix	trans	-80.6	-25.2	177.1	0	0	0	0	0	113.2	K51 L52	K51-A55 WeakPolarHBondContact O-CB 3.35Å; K51-A55 PolarHBondContact O-N 3.43Å; L52-A55 PolarHBondContact O-N 2.96Å
56	L	45.7	Very low	47.5	Very low	135 Å²	135	122 Å²	122	71%	0.707	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-4.7	179.5	-70.4	165.6	0	0	0	113.8	L52	L52-L56 HydrophobicContact CD2-CD1 4.34Å; L52-L56 WeakPolarHBondContact O-CB 3.4Å; L52-L56 WeakPolarHBondContact O-CD1 3.23Å; L52-L56 VanDerWaalsContact O-CG 3.29Å; L52-L56 WeakPolarHBondContact O-CG 3.45Å; L52-L56 PolarHBondContact O-N 3.44Å
57	G	40.3	Very low	45.7	Very low	66 Å²	66	123 Å²	123	68%	0.68	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	5.7	177.2	0	0	0	0	0	115.8
58	V	38.5	Very low	44	Very low	131 Å²	131	126.9 Å²	126.9	79%	0.794	70%	0.702	S	S	*	*	S	Bend	trans	-129.3	17.2	-172.2	-169	0	0	0	0	112.7
59	A	31.7	Very low	42.1	Very low	78 Å²	78	130 Å²	130	65%	0.645	71%	0.714	S	S	*	*			trans	-150.3	86.5	179.7	0	0	0	0	0	112.2
60	D	33.5	Very low	40.4	Very low	145 Å²	145	133.3 Å²	133.3	78%	0.775	73%	0.729	S	S	*	*			trans	-159.6	97.2	141.4	-120	-16.2	0	0	0	112.7
61	N	33.9	Very low	39	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	74%	0.735	S	S	*	*				63.8	107.2	126.4	-72	-29.8	0	0	0	122.3	S63	N61-S63 PolarHBondContact O-N 3.44Å
62	D	30.6	Very low	37.6	Very low	163 Å²	163	136.8 Å²	136.8	87%	0.872	75%	0.748	S	S	*	*			trans	-27.9	121.7	135.1	-77	-49.4	0	0	0	114.6
63	S	34.8	Very low	35.9	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	76%	0.76	S	S	*	*			trans	-179	115.7	132.3	39.9	0	0	0	0	114.2	N61	N61-S63 PolarHBondContact O-N 3.44Å
64	K	35.1	Very low	34.6	Very low	207 Å²	207	143.2 Å²	143.2	90%	0.9	77%	0.773	S	S	*	*			trans	55.8	109.3	140.7	-65.4	-179	177.3	177.9	0	121.2
65	L	27.6	Very low	33.8	Very low	154 Å²	154	139 Å²	139	81%	0.806	77%	0.772	S	S	*	*			trans	-22.2	154.9	144.8	-80.4	162.1	0	0	0	117.2
66	P	32.8	Very low	33.1	Very low	114 Å²	114	142.4 Å²	142.4	74%	0.74	78%	0.779	S	S	*	*				-148.1	151.1	53.8	38.1	-16.8	0	0	0	119.9
67	I	28	Very low	32.4	Very low	130 Å²	130	143.5 Å²	143.5	67%	0.667	78%	0.784	S	S	*	*			trans	31	115.9	132.6	-48.1	171.4	0	0	0	117.7
68	N	32.8	Very low	31.7	Very low	167 Å²	167	147.6 Å²	147.6	89%	0.893	79%	0.791	S	S	*	*				-151.9	126.4	129.2	-106.3	-7	0	0	0	110.5
69	E	29.6	Very low	31.4	Very low	167 Å²	167	147.1 Å²	147.1	78%	0.78	79%	0.79	S	S	*	*			trans	-65.7	144.9	174.3	-61.6	173.5	151.5	0	0	111.1
70	E	34.6	Very low	31.1	Very low	194 Å²	194	151.4 Å²	151.4	91%	0.907	80%	0.801	S	S	*	*				-160.6	135.7	129.2	-110.2	175.9	-162.8	0	0	111.2
71	N	31.2	Very low	31.1	Very low	132 Å²	132	149.1 Å²	149.1	71%	0.706	80%	0.803	S	S	*	*			trans	-70.9	150.5	-166.3	-64	-63.1	0	0	0	114.2
72	H	35.1	Very low	30.7	Very low	196 Å²	196	149.3 Å²	149.3	91%	0.907	81%	0.809	S	S	*	*			trans	-159.5	104.2	131.4	-102.3	-59.7	0	0	0	111.2
73	D	29.2	Very low	30.7	Very low	134 Å²	134	147.5 Å²	147.5	72%	0.717	81%	0.809	S	S	*	*			trans	-56.6	147.9	163.9	-78.5	-48.8	0	0	0	112.3
74	L	31.4	Very low	30.3	Very low	160 Å²	160	151.4 Å²	151.4	84%	0.838	81%	0.813	S	S	*	*			trans	-163	98.1	136.5	-100.9	165.4	0	0	0	110.2	I76	L74-I76 HydrophobicContact CD2-CD1 4.16Å; L74-I76 HydrophobicContact CD2-CG1 4.33Å
75	T	25.9	Very low	30.1	Very low	128 Å²	128	147.3 Å²	147.3	79%	0.785	81%	0.805	S	S	*	*			trans	-94.7	124.6	163.8	-3.8	0	0	0	0	108.7
76	I	32.2	Very low	30.2	Very low	142 Å²	142	147.3 Å²	147.3	73%	0.728	80%	0.804	S	S	*	*			trans	-145.3	98.9	164.5	-58.6	-175.7	0	0	0	106.3	L74	L74-I76 HydrophobicContact CD2-CD1 4.16Å; L74-I76 HydrophobicContact CD2-CG1 4.33Å
77	L	31.1	Very low	30.1	Very low	157 Å²	157	146.4 Å²	146.4	82%	0.822	80%	0.8	S	S	*	*				65.6	109.4	90.1	-76.3	166.6	0	0	0	115.4
78	N	25.4	Very low	30.2	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	80%	0.8	S	S	*	*			trans	-54.8	151.8	157.8	-100.6	-17.6	0	0	0	111.7
79	P	32.2	Very low	30.1	Very low	121 Å²	121	143.8 Å²	143.8	79%	0.786	80%	0.795	S	S	*	*				-140.1	140.3	126.7	25.5	-6.2	0	0	0	114.8
80	L	26.1	Very low	30.1	Very low	167 Å²	167	143 Å²	143	87%	0.874	80%	0.796	S	S	*	*			trans	-53.7	142.7	159.1	-92.9	76.4	0	0	0	111.7
81	A	32.5	Very low	29.7	Very low	98 Å²	98	140.1 Å²	140.1	81%	0.81	80%	0.796	S	S	*	*			trans	-166.2	114.6	137.8	0	0	0	0	0	113.1
82	T	26.5	Very low	29.4	Very low	143 Å²	143	141.8 Å²	141.8	88%	0.877	81%	0.805	S	S	*	*			trans	-21.2	137.2	153	41.3	0	0	0	0	119.8
83	S	29.9	Very low	29.2	Very low	125 Å²	125	137.9 Å²	137.9	87%	0.874	80%	0.8	S	S	*	*			trans	-156.7	123.4	140.1	178.6	0	0	0	0	111.5
84	K	27.1	Very low	29.2	Very low	191 Å²	191	137.6 Å²	137.6	83%	0.83	80%	0.802	S	S	*	*			trans	-66.9	161.9	175.6	-73.2	166.9	166	172.8	0	112.3
85	V	30.2	Very low	28.8	Very low	121 Å²	121	138.9 Å²	138.9	73%	0.733	80%	0.804	S	S	*	*				161.8	111.5	120.1	156.9	0	0	0	0	113.2
86	I	29.8	Very low	28.8	Very low	153 Å²	153	137.4 Å²	137.4	79%	0.785	80%	0.799	S	S	*	*			trans	69.5	127.3	134.3	-56.2	-178.6	0	0	0	117.8
87	S	30.4	Very low	28.7	Very low	95 Å²	95	137.6 Å²	137.6	66%	0.664	80%	0.8	S	S	*	*			cis	-173.7	148	18.9	40.2	0	0	0	0	114
88	S	31.2	Very low	28.4	Very low	96 Å²	96	135.5 Å²	135.5	67%	0.671	79%	0.794	S	S	*	*			trans	58.6	130.5	139.2	60	0	0	0	0	121
89	D	31.2	Very low	28.4	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	80%	0.797	S	S	*	*			cis	-154.4	134.8	22.4	-84.8	-39.7	0	0	0	114.6
90	N	27.9	Very low	28.2	Very low	150 Å²	150	133.9 Å²	133.9	80%	0.802	80%	0.796	S	S	*	*			trans	27.6	118.3	146.2	-67.5	-19.7	0	0	0	124
91	C	27.6	Very low	28.5	Very low	134 Å²	134	133.9 Å²	133.9	91%	0.905	79%	0.791	S	S	*	*				-169.1	117.3	94.3	-118.9	0	0	0	0	111.5
92	N	24.1	Very low	28.3	Very low	167 Å²	167	136.8 Å²	136.8	89%	0.893	79%	0.788	S	S	*	*			trans	-110.9	134.7	175.3	-88.3	-27.8	0	0	0	109.6
93	S	30.6	Very low	28.2	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	78%	0.78	S	S	*	*			trans	177.8	138.6	140.5	54.7	0	0	0	0	109.9
94	V	29.7	Very low	28.1	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	78%	0.778	S	S	*	*			cis	-166.2	127.6	-13	152.5	0	0	0	0	102.8
95	E	24.1	Very low	28.1	Very low	188 Å²	188	133.9 Å²	133.9	88%	0.879	78%	0.778	S	S	*	*			trans	-86.7	132.9	151	-81.1	-176.2	155.1	0	0	107.4
96	S	25.3	Very low	28.1	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	78%	0.784	S	S	*	*			trans	159.8	151.3	133.4	55.5	0	0	0	0	114.2
97	I	29.3	Very low	27.9	Very low	146 Å²	146	132.2 Å²	132.2	75%	0.749	77%	0.772	S	S	*	*			trans	95.7	87.8	153.6	-42.9	-178.7	0	0	0	118.5
98	T	25.2	Very low	28.1	Very low	113 Å²	113	137.9 Å²	137.9	69%	0.693	79%	0.785	S	S	*	*				14.4	137	129.4	57.4	0	0	0	0	122.5
99	N	25.4	Very low	28.2	Very low	166 Å²	166	139 Å²	139	89%	0.888	78%	0.783	S	S	*	*			trans	72	116.5	143.8	-67.8	-12.4	0	0	0	120.7
100	G	29.3	Very low	28.3	Very low	74 Å²	74	137.8 Å²	137.8	76%	0.763	78%	0.776	S	S	*	*			trans	171.2	84.7	163.4	0	0	0	0	0	115.6
101	H	30.5	Very low	28.4	Very low	168 Å²	168	136.3 Å²	136.3	78%	0.778	77%	0.767	S	S	*	*			trans	33.5	133.8	143.3	-81.8	-110	0	0	0	124
102	E	28.4	Very low	28.5	Very low	158 Å²	158	139.8 Å²	139.8	74%	0.738	77%	0.767	S	S	*	*			trans	82.3	107.6	130.9	-76.7	171.2	-161.1	0	0	122.9
103	S	25.3	Very low	28.8	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	76%	0.759	S	S	*	*			trans	21.5	123.1	130.9	65.3	0	0	0	0	120.5
104	V	28.4	Very low	28.7	Very low	136 Å²	136	140.7 Å²	140.7	82%	0.824	76%	0.755	S	S	*	*			trans	-136.6	110.6	136	178.5	0	0	0	0	109.4
105	L	26.3	Very low	28.9	Very low	162 Å²	162	141.6 Å²	141.6	85%	0.848	76%	0.756	S	S	*	*			trans	-69	140.3	157.1	-91	152	0	0	0	109.2
106	L	30.3	Very low	29.1	Very low	163 Å²	163	137.1 Å²	137.1	85%	0.853	75%	0.745	S	S	*	*			trans	-138.5	111.8	148.7	-108.5	158	0	0	0	110.7
107	S	26.4	Very low	29.2	Very low	76 Å²	76	137.3 Å²	137.3	53%	0.531	75%	0.747	S	S	.	*			trans	-70.4	149.8	176.4	51.8	0	0	0	0	113.9
108	K	34.1	Very low	29.1	Very low	214 Å²	214	138 Å²	138	93%	0.93	75%	0.752	S	S	*	*			trans	-130.2	93.8	140.7	-86.3	-175.2	176.9	173.6	0	110.5
109	N	33.6	Very low	29.4	Very low	120 Å²	120	138.1 Å²	138.1	64%	0.642	76%	0.757	S	S	*	*			trans	-15	154.1	135.7	-74.5	-13.9	0	0	0	115.2
110	N	32	Very low	29.4	Very low	119 Å²	119	135.3 Å²	135.3	64%	0.636	75%	0.75	S	S	*	*			cis	-177.8	152.5	15	-116	-15.4	0	0	0	110.9
111	I	29.9	Very low	29.4	Very low	119 Å²	119	136.5 Å²	136.5	61%	0.61	75%	0.747	S	S	*	*			trans	70	113.2	135.6	-56.8	162	0	0	0	120
112	F	31.1	Very low	29.4	Very low	207 Å²	207	134.6 Å²	134.6	91%	0.908	75%	0.747	S	S	*	*				-161.2	144.8	103.1	-113.6	-81	0	0	0	111.8
113	N	29.4	Very low	29.7	Very low	133 Å²	133	134.5 Å²	134.5	71%	0.711	75%	0.751	S	S	*	*			trans	-119.7	153.2	-161.8	-138.1	-11.4	0	0	0	109.5
114	K	29.6	Very low	30.2	Very low	169 Å²	169	135.2 Å²	135.2	74%	0.735	75%	0.753	S	S	*	*			trans	79.6	147	144.9	-82.3	-175.8	176.9	-177.8	0	123
115	D	33.6	Very low	30.2	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	75%	0.751	S	S	*	*			trans	83.8	146.4	161.4	-55	-20.3	0	0	0	117.8
116	S	27.1	Very low	30.3	Very low	94 Å²	94	134.5 Å²	134.5	66%	0.657	75%	0.745	S	S	*	*			cis	-175.8	146.9	-38.4	45	0	0	0	0	105.9
117	S	28.8	Very low	30.4	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	74%	0.739	S	S	*	*			trans	60.6	124.4	152.1	60	0	0	0	0	122.2
118	N	26.6	Very low	30.6	Very low	161 Å²	161	132.8 Å²	132.8	86%	0.861	75%	0.746	S	S	*	*			trans	60.1	111.6	134.5	-66.8	-11.8	0	0	0	121.1
119	S	31.5	Very low	30.7	Very low	115 Å²	115	130 Å²	130	80%	0.804	74%	0.742	S	S	*	*				-163.2	112	120.8	55	0	0	0	0	111.7
120	S	26.1	Very low	30.7	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	74%	0.744	S	S	*	*			trans	-40.1	154.8	147.2	56.8	0	0	0	0	111.8
121	S	27.8	Very low	30.9	Very low	100 Å²	100	131.1 Å²	131.1	70%	0.699	75%	0.749	S	S	*	*				172.2	170.7	50.4	34.1	0	0	0	0	110
122	V	31.6	Very low	30.8	Very low	127 Å²	127	130.3 Å²	130.3	77%	0.77	75%	0.746	S	S	*	*			trans	102.5	94.1	145.9	-164	0	0	0	0	118
123	L	35	Very low	30.9	Very low	157 Å²	157	130.3 Å²	130.3	82%	0.822	75%	0.746	S	S	*	*			trans	-63.2	164	144.2	-72.8	163.4	0	0	0	110.7
124	P	35.8	Very low	30.9	Very low	115 Å²	115	131.6 Å²	131.6	75%	0.747	75%	0.747	S	S	*	*				-144.7	137.9	110.8	32.5	-15	0	0	0	115.7
125	E	27.5	Very low	30.8	Very low	168 Å²	168	128.3 Å²	128.3	79%	0.785	75%	0.745	S	S	*	*				9.6	144.4	115.6	-74.1	-177.9	-177.2	0	0	116.9
126	T	29.3	Very low	30.5	Very low	116 Å²	116	127.6 Å²	127.6	71%	0.712	74%	0.742	S	S	*	*			cis	176.3	177.2	29.2	25.7	0	0	0	0	109.1
127	S	31.5	Very low	30.5	Very low	106 Å²	106	130.8 Å²	130.8	74%	0.741	75%	0.746	S	S	*	*			trans	86.2	106.2	152.5	74.2	0	0	0	0	117.3
128	S	31.1	Very low	30.4	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	75%	0.746	S	S	*	*				93.8	119.9	71.5	71.4	0	0	0	0	112
129	D	35.7	Very low	30.6	Very low	157 Å²	157	129.3 Å²	129.3	84%	0.84	74%	0.742	S	S	*	*				169	122.9	121.1	-80.2	-12.9	0	0	0	112
130	E	33.9	Very low	30.4	Very low	147 Å²	147	129.5 Å²	129.5	69%	0.687	74%	0.739	S	S	*	*			trans	-73.5	169.4	167.4	-133.1	-159.3	-131.2	0	0	109.9	N132	E130-N132 PolarHBondContact OE2-N 3.15Å; E130-N132 PolarHBondContact OE2-ND2 3.31Å
131	P	35.2	Very low	30.7	Very low	115 Å²	115	130.1 Å²	130.1	75%	0.747	74%	0.743	S	S	*	*				-150.3	150.9	75.7	35.2	-13.9	0	0	0	117.6
132	N	29.2	Very low	30.7	Very low	102 Å²	102	132.3 Å²	132.3	55%	0.545	75%	0.747	S	S	.	*			trans	-24.8	139.3	147.6	-82.7	-64.7	0	0	0	116.5	E130	E130-N132 PolarHBondContact OE2-N 3.15Å; E130-N132 PolarHBondContact OE2-ND2 3.31Å
133	F	33.5	Very low	30.9	Very low	207 Å²	207	134.2 Å²	134.2	91%	0.908	75%	0.75	S	S	*	*			trans	-135.4	111.4	141.8	-108.1	-82.4	0	0	0	111.4
134	H	29.3	Very low	30.8	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.736	74%	0.741	S	S	*	*			trans	-60.7	150.1	163.2	-78.6	-66.8	0	0	0	112.1
135	S	27.8	Very low	30.5	Very low	100 Å²	100	131.8 Å²	131.8	70%	0.699	74%	0.735	S	S	*	*				139.1	129.7	111.8	68.6	0	0	0	0	115.7
136	N	26.9	Very low	30.8	Very low	132 Å²	132	133.4 Å²	133.4	71%	0.706	74%	0.74	S	S	*	*			trans	85.5	115.7	135.3	-67.1	-15.3	0	0	0	122.9
137	Q	27.6	Very low	30.9	Very low	161 Å²	161	132.2 Å²	132.2	75%	0.752	74%	0.736	S	S	*	*				86.9	107.9	121.1	-72.5	176.1	-2.4	0	0	119.7
138	S	26.4	Very low	31	Very low	98 Å²	98	133.8 Å²	133.8	69%	0.685	74%	0.736	S	S	*	*				28.2	132.3	123.9	62.3	0	0	0	0	118.8
139	V	29.7	Very low	31.2	Very low	131 Å²	131	137.4 Å²	137.4	79%	0.794	74%	0.742	S	S	*	*				177.6	132.8	109.7	155	0	0	0	0	110.2
140	T	26.7	Very low	31.1	Very low	119 Å²	119	135.3 Å²	135.3	73%	0.73	74%	0.739	S	S	*	*			trans	-43.8	147.9	164.1	51.6	0	0	0	0	115.1
141	S	32.4	Very low	31.2	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	74%	0.742	S	S	*	*				-179.6	138.3	124.5	37	0	0	0	0	112.8
142	D	29.1	Very low	31.1	Very low	146 Å²	146	134.1 Å²	134.1	78%	0.781	75%	0.748	S	S	*	*			trans	-57.2	163.1	175.9	-55.7	-71.9	0	0	0	114.6
143	M	36.1	Very low	31.3	Very low	168 Å²	168	139.6 Å²	139.6	83%	0.828	76%	0.762	S	S	*	*				-175.7	102.7	122	-91.3	-91.5	-165.6	0	0	111.7
144	N	32.1	Very low	31.2	Very low	119 Å²	119	137.4 Å²	137.4	64%	0.636	76%	0.756	S	S	*	*				71.4	107.7	114.5	-80.3	-10	0	0	0	122.9
145	T	30.6	Very low	31.2	Very low	101 Å²	101	137.7 Å²	137.7	62%	0.62	76%	0.758	S	S	*	*				67.1	126.3	119.6	48.8	0	0	0	0	120.9
146	F	32.9	Very low	31.7	Very low	203 Å²	203	139.1 Å²	139.1	89%	0.89	77%	0.765	S	S	*	*				-160.6	143.4	94.7	-111	-83.3	0	0	0	112.8
147	S	30.9	Very low	31.8	Very low	91 Å²	91	143.1 Å²	143.1	64%	0.636	77%	0.77	S	S	*	*			trans	-92.8	165.9	-164.5	-52	0	0	0	0	115.3
148	L	34.9	Very low	32	Very low	138 Å²	138	143.2 Å²	143.2	72%	0.723	78%	0.775	S	S	*	*				158.1	107.1	120.4	-83.8	150.3	0	0	0	110.1
149	E	34.8	Very low	32.2	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	78%	0.775	S	S	*	*				88.6	140.4	108.2	-84.1	179.7	-176.4	0	0	113.7
150	S	33.1	Very low	32.1	Very low	112 Å²	112	146.7 Å²	146.7	78%	0.783	78%	0.779	S	S	*	*			cis	-173.7	153.6	-11.7	53.2	0	0	0	0	106.7
151	G	35.6	Very low	32.4	Very low	72 Å²	72	148.5 Å²	148.5	74%	0.742	79%	0.785	S	S	*	*			trans	143.9	83.5	161.8	0	0	0	0	0	118.8
152	N	33.2	Very low	32.1	Very low	165 Å²	165	150.6 Å²	150.6	88%	0.882	79%	0.787	S	S	*	*			trans	17.2	138.1	141.8	-62.7	-26.6	0	0	0	119.1
153	R	33	Very low	32.1	Very low	218 Å²	218	149.6 Å²	149.6	82%	0.823	79%	0.786	S	S	*	*			cis	-179.7	138.8	47.9	-163.4	165.5	177.7	179.3	2.4	111.5
154	M	32.5	Very low	31.5	Very low	161 Å²	161	150 Å²	150	79%	0.793	79%	0.786	S	S	*	*			trans	76.9	110.5	147.1	-79.7	176.2	125.1	0	0	123.6
155	Q	29.8	Very low	31.3	Very low	164 Å²	164	153.8 Å²	153.8	77%	0.766	80%	0.797	S	S	*	*			trans	-109.7	170.4	145.8	-79.4	-171.4	-10.9	0	0	109.6
156	P	38.4	Very low	31.1	Very low	131 Å²	131	157.2 Å²	157.2	85%	0.851	81%	0.805	S	S	*	*			trans	-125.6	136.5	132.2	29.3	-15.3	0	0	0	113.8
157	R	27.4	Very low	30.8	Very low	215 Å²	215	152.5 Å²	152.5	81%	0.811	80%	0.798	S	S	*	*			trans	-77.2	156.4	165.8	-75.2	176.4	169.3	-172.7	-3.8	111.5
158	L	32.9	Very low	30.7	Very low	164 Å²	164	157.4 Å²	157.4	86%	0.859	81%	0.81	S	S	*	*			trans	-155.1	97.5	142.6	-88.3	166.6	0	0	0	107.2
159	T	30.1	Very low	30.4	Very low	112 Å²	112	159 Å²	159	69%	0.687	81%	0.814	S	S	*	*				68.1	115.8	90.2	57.5	0	0	0	0	116.7
160	Q	28.2	Very low	30.1	Very low	189 Å²	189	157.3 Å²	157.3	88%	0.883	81%	0.811	S	S	*	*			trans	-56.2	145.1	163.6	-72.3	167.4	-44.5	0	0	111.9
161	N	32.1	Very low	29.8	Very low	158 Å²	158	158 Å²	158	85%	0.845	81%	0.814	S	S	*	*			trans	-145.7	120.5	152.2	-94.1	-23.4	0	0	0	110.1
162	N	26.2	Very low	29.6	Very low	163 Å²	163	158.5 Å²	158.5	87%	0.872	82%	0.82	S	S	*	*			trans	-66.5	134	161.7	-80.8	-30.5	0	0	0	109.4
163	V	29.1	Very low	29.3	Very low	125 Å²	125	154.6 Å²	154.6	76%	0.758	82%	0.818	S	S	*	*			trans	-140.9	122.6	153	-179.6	0	0	0	0	109.2	F165	V163-F165 HydrophobicContact CG1-CD2 3.77Å; V163-F165 HydrophobicContact CG1-CE2 4.24Å
164	Q	24.7	Very low	29.2	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	81%	0.814	S	S	*	*			trans	-94.5	131.7	173.1	-170.3	174.1	5.8	0	0	106.8
165	F	27.8	Very low	29	Very low	198 Å²	198	148.1 Å²	148.1	87%	0.868	81%	0.81	S	S	*	*			trans	-143.6	131	163.5	-105.7	-78.8	0	0	0	112.2	V163	V163-F165 HydrophobicContact CG1-CD2 3.77Å; V163-F165 HydrophobicContact CG1-CE2 4.24Å
166	Q	25.9	Very low	28.9	Very low	172 Å²	172	148.6 Å²	148.6	80%	0.804	81%	0.81	S	S	*	*			trans	-83.8	160.2	-179.9	-74.3	173.6	-41.5	0	0	112.4
167	S	25.8	Very low	28.3	Very low	104 Å²	104	152.3 Å²	152.3	73%	0.727	81%	0.807	S	S	*	*			trans	-17.1	141.8	166.5	56.7	0	0	0	0	120.6
168	E	29.2	Very low	28.3	Very low	194 Å²	194	153 Å²	153	91%	0.907	81%	0.81	S	S	*	*				-168	158.4	116.7	-106.5	176.8	-166.5	0	0	113.4
169	Q	29.1	Very low	28	Very low	171 Å²	171	149 Å²	149	80%	0.799	79%	0.789	S	S	*	*			trans	-84.3	149.8	-162.8	-60.4	166.5	-37	0	0	114.7
170	N	28.4	Very low	28	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	79%	0.791	S	S	*	*				146.1	126	113.1	-93	-26.2	0	0	0	116.1
171	C	27.4	Very low	27.9	Very low	127 Å²	127	148.6 Å²	148.6	86%	0.858	78%	0.784	S	S	*	*			trans	60.6	119.3	143.4	-67.6	0	0	0	0	123
172	G	29.5	Very low	27.7	Very low	83 Å²	83	148.8 Å²	148.8	86%	0.856	78%	0.783	S	S	*	*			trans	151.6	82.4	139.6	0	0	0	0	0	118.5
173	G	28.7	Very low	27.8	Very low	82 Å²	82	146.6 Å²	146.6	85%	0.845	78%	0.778	S	S	*	*			trans	92.2	111.4	134.2	0	0	0	0	0	122.1
174	S	30.5	Very low	27.6	Very low	105 Å²	105	145.9 Å²	145.9	73%	0.734	78%	0.778	S	S	*	*				100	103.7	128.5	-170.9	0	0	0	0	122.1
175	L	27.7	Very low	28.1	Very low	138 Å²	138	143.7 Å²	143.7	72%	0.723	78%	0.778	S	S	*	*			trans	76.2	92.6	131.9	-69.6	171.8	0	0	0	121.4
176	F	28.9	Very low	28.1	Very low	174 Å²	174	141.7 Å²	141.7	76%	0.763	78%	0.776	S	S	*	*				156.3	93.2	100.4	-106.8	-75.8	0	0	0	110.4
177	R	25.3	Very low	28.4	Very low	210 Å²	210	141 Å²	141	79%	0.792	78%	0.778	S	S	*	*			trans	-118.8	103.8	159.6	-160.2	-175.8	-158.5	-173.1	7.7	105.1	L179	R177-L179 HydrophobicContact CG-CD1 4.13Å; R177-L179 HydrophobicContact CG-CG 4.13Å
178	R	27.9	Very low	28.6	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	79%	0.785	S	S	*	*			trans	-98.8	133.9	162.7	-159.7	176.7	-90.3	-179.9	-5	107.5
179	L	25.9	Very low	28.6	Very low	78 Å²	78	138.1 Å²	138.1	41%	0.408	78%	0.777	S	S	.	*			trans	-141.3	148.2	-155.3	-112.6	174.1	0	0	0	105.1	R177	R177-L179 HydrophobicContact CG-CD1 4.13Å; R177-L179 HydrophobicContact CG-CG 4.13Å
180	Y	29.5	Very low	28.4	Very low	189 Å²	189	139.9 Å²	139.9	74%	0.741	78%	0.783	S	S	*	*			trans	81.8	138.4	143	-65.1	-52.9	0	0	0	122.5
181	S	26.7	Very low	28.5	Very low	105 Å²	105	138.4 Å²	138.4	73%	0.734	78%	0.781	S	S	*	*				88.5	112.5	122.8	54.1	0	0	0	0	120
182	I	26.9	Very low	28.5	Very low	161 Å²	161	139 Å²	139	83%	0.826	77%	0.774	S	S	*	*			trans	-63	141.9	150.5	-58.9	166.4	0	0	0	109.4
183	P	28.7	Very low	28.6	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	77%	0.774	S	S	*	*			trans	-119.7	127.2	146.4	16.7	2.5	0	0	0	111.3
184	S	25.5	Very low	28.7	Very low	109 Å²	109	148.7 Å²	148.7	76%	0.762	77%	0.771	S	S	*	*			trans	-78	131.3	163.1	69.8	0	0	0	0	110
185	T	34.7	Very low	28.5	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	77%	0.774	S	S	*	*			trans	-144.5	118.7	153.6	49.8	0	0	0	0	109.3
186	N	28.4	Very low	28.9	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	78%	0.779	S	S	*	*			trans	-58.9	134.4	163.8	-69.3	-26.1	0	0	0	110
187	N	32	Very low	29.1	Very low	159 Å²	159	144.1 Å²	144.1	85%	0.85	78%	0.781	S	S	*	*			trans	-169.9	134.8	132.8	-103.5	-13.4	0	0	0	111.2
188	D	29.1	Very low	29.5	Very low	164 Å²	164	139.9 Å²	139.9	88%	0.877	78%	0.781	S	S	*	*			trans	-54.4	146.7	177.6	-60.1	-61.4	0	0	0	113.9
189	G	29.1	Very low	29.8	Very low	72 Å²	72	136.7 Å²	136.7	74%	0.742	78%	0.781	S	S	*	*			trans	158.1	86.8	164.6	0	0	0	0	0	114.3	P191	G189-P191 WeakPolarHBondContact O-CD 3.15Å
190	F	25.5	Very low	30	Very low	209 Å²	209	139.8 Å²	139.8	92%	0.917	80%	0.803	S	S	*	*			trans	-57.6	142.9	160.4	-90.1	-92	0	0	0	110.6
191	P	30.7	Very low	30	Very low	106 Å²	106	134 Å²	134	69%	0.688	80%	0.801	S	S	*	*			trans	-127	120.4	138.3	23.6	-5.5	0	0	0	111.7	G189	G189-P191 WeakPolarHBondContact O-CD 3.15Å
192	I	27.1	Very low	30.2	Very low	140 Å²	140	135.2 Å²	135.2	72%	0.718	80%	0.804	S	S	*	*			trans	-49.2	129.2	160.5	-62.8	158	0	0	0	109.2
193	Y	33	Very low	30.3	Very low	220 Å²	220	137.8 Å²	137.8	86%	0.863	81%	0.809	S	S	*	*			trans	-127.1	120.9	157.7	-97.9	-83.1	0	0	0	111.4
194	L	29.4	Very low	30.5	Very low	149 Å²	149	137 Å²	137	78%	0.78	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.3	142.2	-179	-73.4	119.9	0	0	0	112.2
195	A	26.8	Very low	31.1	Very low	97 Å²	97	138.2 Å²	138.2	80%	0.802	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.5	142.9	163.5	0	0	0	0	0	111.3
196	P	35	Very low	31.2	Very low	126 Å²	126	136.9 Å²	136.9	82%	0.818	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-101.7	141.7	154.5	12.6	7	0	0	0	111.3
197	A	33.6	Very low	31.7	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-66.2	166.1	179.1	0	0	0	0	0	113.4
198	P	34.1	Very low	31.9	Very low	121 Å²	121	130.7 Å²	130.7	79%	0.786	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-86.9	139.8	-156.5	34.6	-31.6	0	0	0	112.2
199	N	33.4	Very low	32.4	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	75%	0.75	S	S	*	*			trans	-119.2	127.8	163.4	-96.2	-16.7	0	0	0	110.4
200	T	31.2	Very low	32.8	Very low	143 Å²	143	128.6 Å²	128.6	88%	0.877	74%	0.741	S	S	*	*			trans	-52.8	131.6	173.8	45.2	0	0	0	0	113.2
201	G	28.7	Very low	33.6	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	72%	0.72	S	S	*	*			trans	149.9	124.4	158.2	0	0	0	0	0	114.2
202	V	31.3	Very low	34	Very low	129 Å²	129	125.3 Å²	125.3	78%	0.782	72%	0.719	S	S	*	*			trans	85.5	88.5	162.3	-161.1	0	0	0	0	116.3	T204	V202-T204 WeakPolarHBondContact CG1-OG1 3.5Å; V202-T204 PolarHBondContact O-N 2.92Å
203	F	29.7	Very low	35	Very low	216 Å²	216	123.3 Å²	123.3	95%	0.947	71%	0.713	S	S	*	*			trans	-84.4	87	161.5	-100.4	-92.8	0	0	0	109.1
204	T	31.9	Very low	35.5	Very low	102 Å²	102	119.2 Å²	119.2	63%	0.626	70%	0.702	S	S	*	*			trans	-171.7	109.9	161.8	41.7	0	0	0	0	105.4	V202	V202-T204 WeakPolarHBondContact CG1-OG1 3.5Å; V202-T204 PolarHBondContact O-N 2.92Å
205	D	37.7	Very low	36.3	Very low	133 Å²	133	117.6 Å²	117.6	71%	0.711	69%	0.69	S	S	*	*			trans	152.5	10.6	162.8	-77.3	-14.5	0	0	0	115
206	V	38.7	Very low	37.1	Very low	105 Å²	105	114.6 Å²	114.6	64%	0.636	67%	0.668	S	S	*	*	H	α-helix	trans	-85.2	-18.6	179	-167.1	0	0	0	0	113.3	L210	V206-L210 HydrophobicContact CG1-CD1 4.09Å; V206-L210 HydrophobicContact CG1-CG 4.5Å; V206-L210 WeakPolarHBondContact O-CG 3.44Å
207	V	37.8	Very low	37.9	Very low	110 Å²	110	111 Å²	111	67%	0.667	65%	0.65	S	S	*	*	H	α-helix	trans	-73.9	-43.5	-174.8	-175.3	0	0	0	0	113.6	V209 L210 Q211	V207-V209 VanDerWaalsContact C-N 3.34Å; V207-V209 PolarHBondContact O-N 2.9Å; V207-L210 PolarHBondContact O-N 3.5Å; V207-Q211 PolarHBondContact O-N 3.41Å
208	P	36.6	Very low	38.7	Very low	73 Å²	73	110.9 Å²	110.9	47%	0.474	63%	0.632	S	S	.	*	H	α-helix	trans	-66.6	-35.5	-178.5	-18	31.1	0	0	0	112.9	Q211 E212	P208-Q211 PolarHBondContact O-N 3.35Å; P208-E212 PolarHBondContact O-N 3.41Å
209	V	39.7	Very low	39.3	Very low	89 Å²	89	108 Å²	108	54%	0.539	62%	0.619	S	S	.	*	H	α-helix	trans	-71	-36.1	-178	-179.1	0	0	0	0	111.8	V207 Q211 V213	V207-V209 VanDerWaalsContact C-N 3.34Å; V207-V209 PolarHBondContact O-N 2.9Å; V209-Q211 VanDerWaalsContact C-N 3.34Å; V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 3.18Å
210	L	38.1	Very low	40.2	Very low	104 Å²	104	106.8 Å²	106.8	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-67.8	-37.3	174.7	-72.9	170	0	0	0	111.5	V206 V207 V213 E214	V206-L210 HydrophobicContact CG1-CD1 4.09Å; V206-L210 HydrophobicContact CG1-CG 4.5Å; V206-L210 WeakPolarHBondContact O-CG 3.44Å; V207-L210 PolarHBondContact O-N 3.5Å; L210-V213 PolarHBondContact O-N 3.39Å; L210-E214 WeakPolarHBondContact O-CG 3.39Å; L210-E214 PolarHBondContact O-N 3.46Å
211	Q	40.8	Very low	41.2	Very low	103 Å²	103	102 Å²	102	48%	0.481	58%	0.576	S	S	.	*	H	α-helix	trans	-69.3	-40.7	179.6	-163.8	165.9	-11.5	0	0	112.2	V207 P208 V209 V213 E214 E215	V207-Q211 PolarHBondContact O-N 3.41Å; P208-Q211 PolarHBondContact O-N 3.35Å; V209-Q211 VanDerWaalsContact C-N 3.34Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 3.21Å; Q211-E214 PolarHBondContact O-N 2.96Å; Q211-E215 WeakPolarHBondContact O-CB 3.07Å; Q211-E215 WeakPolarHBondContact O-CG 3.42Å; Q211-E215 PolarHBondContact O-N 3.3Å
212	E	39.4	Very low	42.4	Very low	143 Å²	143	105 Å²	105	67%	0.668	57%	0.572	S	S	*	*	H	α-helix	trans	-63.9	-35.8	172.9	-75.6	-176.7	175.5	0	0	112.7	P208 G216	P208-E212 PolarHBondContact O-N 3.41Å; E212-G216 PolarHBondContact O-N 3.3Å
213	V	47.4	Very low	43.3	Very low	98 Å²	98	104 Å²	104	59%	0.594	57%	0.571	S	S	*	*	H	α-helix	trans	-70.8	-39.6	176.8	172.9	0	0	0	0	111.3	V209 L210 Q211 A217	V209-V213 WeakPolarHBondContact O-CG2 3.28Å; V209-V213 PolarHBondContact O-N 3.18Å; L210-V213 PolarHBondContact O-N 3.39Å; Q211-V213 VanDerWaalsContact C-N 3.33Å; Q211-V213 PolarHBondContact O-N 3.21Å; V213-A217 WeakPolarHBondContact O-CB 3.48Å; V213-A217 PolarHBondContact O-N 2.73Å
214	E	44.4	Very low	44.9	Very low	134 Å²	134	94.6 Å²	94.6	63%	0.626	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-48	173.9	-77.2	-178.5	169.7	0	0	111.5	L210 Q211 G216 A217 E218	L210-E214 WeakPolarHBondContact O-CG 3.39Å; L210-E214 PolarHBondContact O-N 3.46Å; Q211-E214 PolarHBondContact O-N 2.96Å; E214-G216 VanDerWaalsContact C-N 3.33Å; E214-G216 PolarHBondContact O-N 3.35Å; E214-A217 PolarHBondContact O-N 3.46Å; E214-E218 WeakPolarHBondContact O-CG 3.38Å; E214-E218 PolarHBondContact O-N 3.12Å
215	E	46	Very low	46.8	Very low	115 Å²	115	91.6 Å²	91.6	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-61.1	-40.4	176.7	-74.5	178.1	-172.5	0	0	112	Q211 E218 A219	Q211-E215 WeakPolarHBondContact O-CB 3.07Å; Q211-E215 WeakPolarHBondContact O-CG 3.42Å; Q211-E215 PolarHBondContact O-N 3.3Å; E215-E218 PolarHBondContact O-N 3.05Å; E215-A219 WeakPolarHBondContact O-CB 3.46Å; E215-A219 PolarHBondContact O-N 3.17Å
216	G	44.5	Very low	49	Very low	33 Å²	33	85.5 Å²	85.5	34%	0.34	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-41.9	174.5	0	0	0	0	0	113	E212 E214 H220	E212-G216 PolarHBondContact O-N 3.3Å; E214-G216 VanDerWaalsContact C-N 3.33Å; E214-G216 PolarHBondContact O-N 3.35Å; G216-H220 PolarHBondContact O-CD2 3.42Å; G216-H220 PolarHBondContact O-N 2.96Å; G216-H220 VanDerWaalsContact O-N 3.15Å
217	A	50.9	Low	51.4	Low	51 Å²	51	87.4 Å²	87.4	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-66.1	-41	175.6	0	0	0	0	0	112	V213 E214 H220 L221	V213-A217 WeakPolarHBondContact O-CB 3.48Å; V213-A217 PolarHBondContact O-N 2.73Å; E214-A217 PolarHBondContact O-N 3.46Å; A217-H220 PolarHBondContact O-N 3.47Å; A217-L221 VanDerWaalsContact O-CD1 3.24Å; A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A217-L221 PolarHBondContact O-N 2.9Å
218	E	50	Low	54.1	Low	95 Å²	95	82.8 Å²	82.8	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-63	-44.2	176.4	-71.3	-154.6	140.2	0	0	112.3	E214 E215 H220 L221 E222 K295	E214-E218 WeakPolarHBondContact O-CG 3.38Å; E214-E218 PolarHBondContact O-N 3.12Å; E215-E218 PolarHBondContact O-N 3.05Å; E218-H220 VanDerWaalsContact C-N 3.32Å; E218-H220 PolarHBondContact O-N 3.04Å; E218-L221 PolarHBondContact O-N 2.95Å; E218-E222 PolarHBondContact O-N 3.19Å; E218-K295 IonicContact OE1-NZ 3.34Å; E218-K295 PolarHBondContact OE1-NZ 2.86Å; E218-K295 IonicContact OE2-NZ 3.27Å; E218-K295 PolarHBondContact OE2-NZ 2.88Å; E218-K295 VanDerWaalsContact OE2-NZ 3.16Å
219	A	48.4	Very low	56.9	Low	61 Å²	61	82.7 Å²	82.7	50%	0.504	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-37.7	177.1	0	0	0	0	0	112.4	E215 S223	E215-A219 WeakPolarHBondContact O-CB 3.46Å; E215-A219 PolarHBondContact O-N 3.17Å; A219-S223 WeakPolarHBondContact O-CB 3.47Å; A219-S223 PolarHBondContact O-N 3.45Å; A219-S223 VanDerWaalsContact O-N 3.11Å
220	H	50.7	Low	59.5	Low	137 Å²	137	83.6 Å²	83.6	63%	0.634	45%	0.446	S	S	*	.	H	α-helix	trans	-66.2	-40.1	174.2	-86.2	-65.1	0	0	0	112.7	G216 A217 E218 S223 A224	G216-H220 PolarHBondContact O-CD2 3.42Å; G216-H220 PolarHBondContact O-N 2.96Å; G216-H220 VanDerWaalsContact O-N 3.15Å; A217-H220 PolarHBondContact O-N 3.47Å; E218-H220 VanDerWaalsContact C-N 3.32Å; E218-H220 PolarHBondContact O-N 3.04Å; H220-S223 PolarHBondContact O-N 3.43Å; H220-A224 PolarHBondContact O-N 3.21Å; H220-A224 VanDerWaalsContact O-N 3.17Å
221	L	53.7	Low	62.1	Low	43 Å²	43	80.7 Å²	80.7	23%	0.225	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-40.2	175.9	-98.6	92.5	0	0	0	112.4	A217 E218 S223 A224 A225 K295 Q296	A217-L221 VanDerWaalsContact O-CD1 3.24Å; A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A217-L221 PolarHBondContact O-N 2.9Å; E218-L221 PolarHBondContact O-N 2.95Å; L221-S223 VanDerWaalsContact C-N 3.34Å; L221-A224 PolarHBondContact O-N 3.2Å; L221-A224 VanDerWaalsContact O-N 3.14Å; L221-A225 PolarHBondContact O-N 3.39Å; L221-K295 HydrophobicContact CD2-CB 3.94Å; L221-Q296 HydrophobicContact CD2-CB 4.29Å
222	E	52.6	Low	64.3	Low	132 Å²	132	83.7 Å²	83.7	62%	0.617	45%	0.446	S	S	*	.	H	α-helix	trans	-65	-38.2	176.3	-76.7	-171.1	172.2	0	0	112.1	E218 A224 A225	E218-E222 PolarHBondContact O-N 3.19Å; E222-A224 PolarHBondContact O-N 3.04Å; E222-A225 WeakPolarHBondContact O-CB 3.4Å; E222-A225 PolarHBondContact O-N 3.35Å
223	S	50.1	Low	66.6	Low	107 Å²	107	80.9 Å²	80.9	75%	0.748	44%	0.435	S	S	*	.	H	α-helix	trans	-63.7	-27.3	172.8	-172.9	0	0	0	0	112.9	A219 H220 L221	A219-S223 WeakPolarHBondContact O-CB 3.47Å; A219-S223 PolarHBondContact O-N 3.45Å; A219-S223 VanDerWaalsContact O-N 3.11Å; H220-S223 PolarHBondContact O-N 3.43Å; L221-S223 VanDerWaalsContact C-N 3.34Å
224	A	63.7	Low	68.4	Low	18 Å²	18	81.2 Å²	81.2	15%	0.149	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.7	177.9	0	0	0	0	0	114.1	H220 L221 E222 S299 I300	H220-A224 PolarHBondContact O-N 3.21Å; H220-A224 VanDerWaalsContact O-N 3.17Å; L221-A224 PolarHBondContact O-N 3.2Å; L221-A224 VanDerWaalsContact O-N 3.14Å; E222-A224 PolarHBondContact O-N 3.04Å; A224-S299 WeakPolarHBondContact O-CA 3.29Å; A224-I300 PolarHBondContact O-N 2.99Å
225	A	71.9	Confident	69.9	Low	39 Å²	39	77.2 Å²	77.2	32%	0.322	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-65.3	142.3	179.3	0	0	0	0	0	111.9	L221 E222 E227	L221-A225 PolarHBondContact O-N 3.39Å; E222-A225 WeakPolarHBondContact O-CB 3.4Å; E222-A225 PolarHBondContact O-N 3.35Å; A225-E227 PolarHBondContact O-N 2.88Å
226	V	84.1	Confident	71	Confident	5 Å²	5	79.7 Å²	79.7	3%	0.03	45%	0.452	C	S	.	.			trans	-62.1	124.5	177.4	-175.5	0	0	0	0	110.4	F228 R230 I300 V901 N913 I914 A917	V226-F228 HydrophobicContact CG1-CD1 4.25Å; V226-F228 WeakPolarHBondContact O-CD1 3.36Å; V226-F228 PolarHBondContact O-N 3.35Å; V226-R230 PolarHBondContact O-NH1 3.2Å; V226-R230 VanDerWaalsContact O-NH1 3.14Å; V226-R230 PolarHBondContact O-NH2 3.05Å; V226-I300 HydrophobicContact CG2-CD1 3.94Å; V226-I300 HydrophobicContact CG2-CG1 3.63Å; V226-V901 HydrophobicContact CG2-CB 4.38Å; V226-V901 HydrophobicContact CG2-CG1 3.8Å; V226-V901 HydrophobicContact CG2-CG2 3.77Å; V226-N913 HydrophobicContact CG1-CB 4.28Å; V226-N913 HydrophobicContact CG2-CB 3.95Å; V226-I914 HydrophobicContact CG1-CB 4.42Å; V226-I914 HydrophobicContact CG1-CG1 3.72Å; V226-A917 HydrophobicContact CB-CB 4.14Å; V226-A917 HydrophobicContact CG2-CB 4.29Å
227	E	89.2	Confident	72.2	Confident	145 Å²	145	85.1 Å²	85.1	68%	0.678	47%	0.473	S	S	*	.			trans	-86.4	111.2	-178.1	-162.1	-150.3	133	0	0	112.3	A225 R470	A225-E227 PolarHBondContact O-N 2.88Å; E227-R470 IonicContact OE1-CZ 3.25Å; E227-R470 IonicContact OE1-NH1 2.78Å; E227-R470 PolarHBondContact OE1-NH1 3.49Å; E227-R470 IonicContact OE1-NH2 3.5Å
228	F	94	Very high	73	Confident	13 Å²	13	85.5 Å²	85.5	6%	0.057	47%	0.47	C	S	.	.			trans	-152.4	162.2	172	69.4	-83.6	0	0	0	110.6	V226 R230 H463 N467 I914 A917	V226-F228 HydrophobicContact CG1-CD1 4.25Å; V226-F228 WeakPolarHBondContact O-CD1 3.36Å; V226-F228 PolarHBondContact O-N 3.35Å; F228-R230 HydrophobicContact CD2-CG 4.08Å; F228-R230 HydrophobicContact CE1-CG 4.28Å; F228-R230 HydrophobicContact CE2-CG 3.56Å; F228-R230 HydrophobicContact CZ-CG 3.66Å; F228-R230 PolarHBondContact O-N 2.91Å; F228-R230 PolarHBondContact O-NH1 3.03Å; F228-H463 AromaticContact CD2-CE1 3.97Å; F228-H463 AromaticContact CD2-ND1 3.98Å; F228-N467 WeakPolarHBondContact CB-OD1 3.2Å; F228-I914 HydrophobicContact CB-CB 4.41Å; F228-I914 HydrophobicContact CB-CD1 4.38Å; F228-I914 HydrophobicContact CB-CG1 4.1Å; F228-I914 HydrophobicContact CB-CG2 3.63Å; F228-I914 HydrophobicContact CD1-CG2 4.34Å; F228-I914 HydrophobicContact CD2-CG2 4.29Å; F228-I914 HydrophobicContact CG-CG2 3.86Å; F228-A917 HydrophobicContact CD1-CB 4.44Å; F228-A917 HydrophobicContact CE1-CB 3.64Å; F228-A917 HydrophobicContact CZ-CB 4.27Å
229	Q	95.5	Very high	73.9	Confident	71 Å²	71	83 Å²	83	33%	0.332	46%	0.46	S	S	.	.			trans	-67.9	113	175.4	-81.1	69.1	22.5	0	0	110	L466 N467 R470	Q229-L466 HydrophobicContact CB-CB 3.81Å; Q229-L466 HydrophobicContact CB-CD1 4.13Å; Q229-L466 HydrophobicContact CG-CB 4.3Å; Q229-N467 WeakPolarHBondContact CB-OD1 3.24Å; Q229-N467 PolarHBondContact N-OD1 2.84Å; Q229-N467 PolarHBondContact O-ND2 2.84Å; Q229-N467 PolarHBondContact OE1-OD1 3.04Å; Q229-R470 VanDerWaalsContact NE2-CZ 3.25Å
230	R	94.4	Very high	75.2	Confident	108 Å²	108	81.8 Å²	81.8	41%	0.408	45%	0.454	S	S	.	.			trans	-95.4	143.3	175.7	-70.1	174.5	177.3	82.8	-6.8	110.8	V226 F228 E921	V226-R230 PolarHBondContact O-NH1 3.2Å; V226-R230 VanDerWaalsContact O-NH1 3.14Å; V226-R230 PolarHBondContact O-NH2 3.05Å; F228-R230 HydrophobicContact CD2-CG 4.08Å; F228-R230 HydrophobicContact CE1-CG 4.28Å; F228-R230 HydrophobicContact CE2-CG 3.56Å; F228-R230 HydrophobicContact CZ-CG 3.66Å; F228-R230 PolarHBondContact O-N 2.91Å; F228-R230 PolarHBondContact O-NH1 3.03Å; R230-E921 WeakPolarHBondContact CD-OE2 3.41Å; R230-E921 IonicContact CZ-OE1 2.66Å; R230-E921 IonicContact CZ-OE2 2.81Å; R230-E921 IonicContact NE-OE1 2.66Å; R230-E921 PolarHBondContact NE-OE1 3.21Å; R230-E921 IonicContact NE-OE2 3.05Å; R230-E921 PolarHBondContact NE-OE2 2.95Å; R230-E921 IonicContact NH2-OE1 3.72Å; R230-E921 PolarHBondContact NH2-OE1 3.31Å
231	V	91.7	Very high	76.8	Confident	43 Å²	43	76.5 Å²	76.5	26%	0.261	43%	0.431	S	S	.	.			trans	-98.2	116.7	173.7	-178	0	0	0	0	107.9	L462 L466	V231-L462 HydrophobicContact CB-CD2 4.25Å; V231-L462 HydrophobicContact CG1-CD2 3.76Å; V231-L462 HydrophobicContact CG2-CB 4.25Å; V231-L462 HydrophobicContact CG2-CD2 3.43Å; V231-L462 VanDerWaalsContact CG2-CD2 3.43Å; V231-L462 HydrophobicContact CG2-CG 3.65Å; V231-L466 HydrophobicContact CG2-CD1 4.27Å
232	Q	88.3	Confident	78.4	Confident	167 Å²	167	78.1 Å²	78.1	78%	0.78	44%	0.444	S	S	*	.			trans	-114.3	138	175.8	-171.9	171.2	-6.4	0	0	109.4
233	I	87.4	Confident	79.9	Confident	84 Å²	84	75.6 Å²	75.6	43%	0.431	44%	0.438	S	S	.	.			trans	-101.1	128	173	-58.7	175.8	0	0	0	106.8	T238 Y455	I233-T238 HydrophobicContact CB-CG2 4.41Å; I233-T238 HydrophobicContact CG2-CG2 3.77Å; I233-Y455 HydrophobicContact CD1-CD2 4.21Å; I233-Y455 HydrophobicContact CD1-CE2 3.5Å
234	C	84.5	Confident	81.7	Confident	105 Å²	105	76.1 Å²	76.1	71%	0.709	43%	0.432	S	S	*	.			trans	-119.2	148.5	175.6	-59.4	0	0	0	0	109.3
235	G	77	Confident	82.9	Confident	50 Å²	50	78.9 Å²	78.9	52%	0.515	44%	0.444	S	S	.	.	S	Bend	trans	132	166.2	178.1	0	0	0	0	0	112.8	T238	G235-T238 WeakPolarHBondContact O-CG2 3.47Å
236	D	69.1	Low	83.9	Confident	166 Å²	166	77.4 Å²	77.4	89%	0.888	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.5	-178.6	-59.8	-33.9	0	0	0	111.4	T238	D236-T238 VanDerWaalsContact C-N 3.34Å; D236-T238 PolarHBondContact O-N 3.08Å
237	D	68.8	Low	84.2	Confident	147 Å²	147	78.9 Å²	78.9	79%	0.786	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	35.8	179.3	-72.1	-26.8	0	0	0	113.4	L239 G240	D237-L239 PolarHBondContact O-N 3.37Å; D237-G240 PolarHBondContact O-N 2.95Å; D237-G240 VanDerWaalsContact O-N 3.16Å
238	T	68.9	Low	84.4	Confident	59 Å²	59	77.6 Å²	77.6	36%	0.362	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.3	178.4	49.7	0	0	0	0	113.9	I233 G235 D236	I233-T238 HydrophobicContact CB-CG2 4.41Å; I233-T238 HydrophobicContact CG2-CG2 3.77Å; G235-T238 WeakPolarHBondContact O-CG2 3.47Å; D236-T238 VanDerWaalsContact C-N 3.34Å; D236-T238 PolarHBondContact O-N 3.08Å
239	L	68.2	Low	84.5	Confident	43 Å²	43	77.2 Å²	77.2	23%	0.225	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-27.9	-176	-59.7	176	0	0	0	112.8	D237 V241 V243 L246 L929	D237-L239 PolarHBondContact O-N 3.37Å; L239-V241 HydrophobicContact CB-CG2 4.33Å; L239-V241 PolarHBondContact O-N 2.95Å; L239-V243 HydrophobicContact CD1-CG2 4.38Å; L239-L246 HydrophobicContact CD1-CD2 3.55Å; L239-L246 HydrophobicContact CD2-CD2 3.78Å; L239-L246 HydrophobicContact CG-CD2 4.19Å; L239-L929 HydrophobicContact CD2-CD1 3.29Å
240	G	75.1	Confident	84.5	Confident	36 Å²	36	73.8 Å²	73.8	37%	0.371	42%	0.418	S	S	.	.	S	Bend	trans	63.2	12.7	-174	0	0	0	0	0	114.3	D237 R451	D237-G240 PolarHBondContact O-N 2.95Å; D237-G240 VanDerWaalsContact O-N 3.16Å; G240-R451 PolarHBondContact O-NH1 2.76Å
241	V	84.6	Confident	84.6	Confident	25 Å²	25	72.7 Å²	72.7	15%	0.152	42%	0.417	C	S	.	.	S	Bend	trans	-144.7	154.5	174.9	-66.7	0	0	0	0	109.2	L239 L246 F448	L239-V241 HydrophobicContact CB-CG2 4.33Å; L239-V241 PolarHBondContact O-N 2.95Å; V241-L246 HydrophobicContact CG2-CB 4.12Å; V241-F448 HydrophobicContact CG1-CD2 4.19Å; V241-F448 HydrophobicContact CG2-CD2 3.97Å; V241-F448 HydrophobicContact CG2-CE2 3.95Å
242	P	86.5	Confident	84.8	Confident	78 Å²	78	71.2 Å²	71.2	51%	0.506	41%	0.409	S	S	.	.			trans	-54.4	146.9	169.9	-23.5	33.9	0	0	0	111.9	D244 D245 L246	P242-D244 VanDerWaalsContact C-N 3.27Å; P242-D244 PolarHBondContact O-N 3.01Å; P242-D245 HydrophobicContact CB-CB 4.44Å; P242-D245 WeakPolarHBondContact CD-OD2 3.3Å; P242-D245 PolarHBondContact O-N 3.17Å; P242-L246 PolarHBondContact O-N 2.61Å; P242-L246 VanDerWaalsContact O-N 3.1Å
243	V	86.1	Confident	85.3	Confident	79 Å²	79	63.3 Å²	63.3	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-38.7	-179.4	177.6	0	0	0	0	111.5	L239 D245 L246 H247	L239-V243 HydrophobicContact CD1-CG2 4.38Å; V243-D245 PolarHBondContact O-N 3.34Å; V243-L246 WeakPolarHBondContact O-CB 3.25Å; V243-L246 PolarHBondContact O-N 3.4Å; V243-H247 WeakPolarHBondContact CG1-NE2 3.27Å; V243-H247 PolarHBondContact O-CD2 3.07Å; V243-H247 PolarHBondContact O-N 3.48Å
244	D	86.7	Confident	85.8	Confident	118 Å²	118	59.9 Å²	59.9	63%	0.631	36%	0.355	S	S	*	.	H	α-helix	trans	-63.1	-41.6	178.3	-62.5	-25.5	0	0	0	112.2	P242 L246 H247 L248	P242-D244 VanDerWaalsContact C-N 3.27Å; P242-D244 PolarHBondContact O-N 3.01Å; D244-L246 VanDerWaalsContact C-N 3.3Å; D244-L246 PolarHBondContact O-N 3.14Å; D244-H247 PolarHBondContact O-N 3.1Å; D244-L248 WeakPolarHBondContact O-CG 3.32Å; D244-L248 PolarHBondContact O-N 3.39Å
245	D	89.4	Confident	86.4	Confident	76 Å²	76	60 Å²	60	41%	0.406	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-38.2	175.6	-72.4	-13.7	0	0	0	110.9	P242 V243 A249	P242-D245 HydrophobicContact CB-CB 4.44Å; P242-D245 WeakPolarHBondContact CD-OD2 3.3Å; P242-D245 PolarHBondContact O-N 3.17Å; V243-D245 PolarHBondContact O-N 3.34Å; D245-A249 WeakPolarHBondContact O-CB 3.29Å; D245-A249 PolarHBondContact O-N 2.82Å
246	L	91.7	Very high	87.4	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.042	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-41.3	174.4	175	65.2	0	0	0	111.6	L239 V241 P242 V243 D244 A249 S250 F448 L929 S933	L239-L246 HydrophobicContact CD1-CD2 3.55Å; L239-L246 HydrophobicContact CD2-CD2 3.78Å; L239-L246 HydrophobicContact CG-CD2 4.19Å; V241-L246 HydrophobicContact CG2-CB 4.12Å; P242-L246 PolarHBondContact O-N 2.61Å; P242-L246 VanDerWaalsContact O-N 3.1Å; V243-L246 WeakPolarHBondContact O-CB 3.25Å; V243-L246 PolarHBondContact O-N 3.4Å; D244-L246 VanDerWaalsContact C-N 3.3Å; D244-L246 PolarHBondContact O-N 3.14Å; L246-A249 PolarHBondContact O-N 3.43Å; L246-S250 VanDerWaalsContact O-CB 3.23Å; L246-S250 WeakPolarHBondContact O-CB 3.42Å; L246-S250 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-OG 3.37Å; L246-F448 HydrophobicContact CD1-CE2 3.63Å; L246-F448 HydrophobicContact CD1-CZ 3.63Å; L246-L929 HydrophobicContact CD1-CD1 3.95Å; L246-L929 HydrophobicContact CD1-CG 4.14Å; L246-L929 HydrophobicContact CD2-CD1 3.71Å; L246-L929 HydrophobicContact CG-CD1 4.5Å; L246-S933 PolarHBondContact O-OG 3.15Å
247	H	92.2	Very high	88.8	Confident	35 Å²	35	49.7 Å²	49.7	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-59.9	-52.5	177.4	-72.5	179.8	0	0	0	111.1	V243 D244 A249 S250 E251 S933	V243-H247 WeakPolarHBondContact CG1-NE2 3.27Å; V243-H247 PolarHBondContact O-CD2 3.07Å; V243-H247 PolarHBondContact O-N 3.48Å; D244-H247 PolarHBondContact O-N 3.1Å; H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.89Å; H247-S250 PolarHBondContact O-N 2.82Å; H247-E251 WeakPolarHBondContact O-CG 3.49Å; H247-E251 PolarHBondContact O-N 2.93Å; H247-S933 WeakPolarHBondContact CA-OG 3.44Å; H247-S933 PolarHBondContact CD2-OG 3.3Å; H247-S933 VanDerWaalsContact CD2-OG 3.3Å
248	L	92.6	Very high	90.1	Very high	118 Å²	118	46.1 Å²	46.1	62%	0.618	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-42.7	179.1	-67.5	174.8	0	0	0	112	D244 A252	D244-L248 WeakPolarHBondContact O-CG 3.32Å; D244-L248 PolarHBondContact O-N 3.39Å; L248-A252 PolarHBondContact O-N 3.35Å
249	A	95.6	Very high	91.5	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-45.3	178.3	0	0	0	0	0	111.9	D245 L246 H247 A252 L253 L445 F448	D245-A249 WeakPolarHBondContact O-CB 3.29Å; D245-A249 PolarHBondContact O-N 2.82Å; L246-A249 PolarHBondContact O-N 3.43Å; H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.89Å; A249-A252 PolarHBondContact O-N 3.48Å; A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 WeakPolarHBondContact O-CD1 3.35Å; A249-L253 WeakPolarHBondContact O-CG 3.43Å; A249-L253 PolarHBondContact O-N 2.98Å; A249-L445 HydrophobicContact CB-CD1 3.74Å; A249-F448 HydrophobicContact CB-CB 4.27Å; A249-F448 HydrophobicContact CB-CD1 3.62Å; A249-F448 HydrophobicContact CB-CD2 4.22Å; A249-F448 HydrophobicContact CB-CE1 3.97Å; A249-F448 HydrophobicContact CB-CG 3.76Å; A249-F448 HydrophobicContact CB-CZ 4.4Å
250	S	96	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-41.4	179.8	-65.3	0	0	0	0	112.4	L246 H247 A252 L253 I254 L930 S933	L246-S250 VanDerWaalsContact O-CB 3.23Å; L246-S250 WeakPolarHBondContact O-CB 3.42Å; L246-S250 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-OG 3.37Å; H247-S250 PolarHBondContact O-N 2.82Å; S250-A252 PolarHBondContact O-N 2.85Å; S250-L253 PolarHBondContact O-N 2.87Å; S250-I254 VanDerWaalsContact O-CB 3.29Å; S250-I254 WeakPolarHBondContact O-CB 3.44Å; S250-I254 VanDerWaalsContact O-CG1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.34Å; S250-I254 PolarHBondContact O-N 3.49Å; S250-L930 WeakPolarHBondContact CB-O 3.43Å; S250-L930 WeakPolarHBondContact OG-CA 3.4Å; S250-L930 WeakPolarHBondContact OG-CD2 3.42Å; S250-S933 VanDerWaalsContact CB-OG 3.24Å; S250-S933 WeakPolarHBondContact CB-OG 3.43Å; S250-S933 WeakPolarHBondContact OG-CB 3.45Å; S250-S933 PolarHBondContact OG-OG 3.08Å; S250-S933 VanDerWaalsContact OG-OG 3.05Å
251	E	95.8	Very high	94	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-44.6	175.8	-75.1	-178	180	0	0	111.8	H247 K255 V934 S937	H247-E251 WeakPolarHBondContact O-CG 3.49Å; H247-E251 PolarHBondContact O-N 2.93Å; E251-K255 VanDerWaalsContact O-CB 3.24Å; E251-K255 WeakPolarHBondContact O-CB 3.34Å; E251-K255 PolarHBondContact O-N 3.32Å; E251-V934 HydrophobicContact CG-CG2 4.2Å; E251-S937 PolarHBondContact OE1-OG 2.78Å
252	A	97.2	Very high	94.6	Very high	12 Å²	12	45.8 Å²	45.8	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-45.5	177	0	0	0	0	0	112.4	L248 A249 S250 K255 A256 F439 L445	L248-A252 PolarHBondContact O-N 3.35Å; A249-A252 PolarHBondContact O-N 3.48Å; S250-A252 PolarHBondContact O-N 2.85Å; A252-K255 PolarHBondContact O-N 2.9Å; A252-A256 WeakPolarHBondContact O-CB 3.47Å; A252-A256 PolarHBondContact O-N 3.44Å; A252-F439 HydrophobicContact CB-CD1 3.93Å; A252-F439 HydrophobicContact CB-CD2 4.23Å; A252-F439 HydrophobicContact CB-CE1 3.8Å; A252-F439 HydrophobicContact CB-CE2 4.1Å; A252-F439 HydrophobicContact CB-CG 4.14Å; A252-F439 HydrophobicContact CB-CZ 3.88Å; A252-F439 WeakPolarHBondContact O-CE2 3.06Å; A252-L445 HydrophobicContact CB-CD2 3.85Å
253	L	98	Very high	95.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-42.6	-178.4	-69.8	166.5	0	0	0	112.5	A249 S250 A256 L257 L445 F448 V794 Y797 L798 L930	A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 WeakPolarHBondContact O-CD1 3.35Å; A249-L253 WeakPolarHBondContact O-CG 3.43Å; A249-L253 PolarHBondContact O-N 2.98Å; S250-L253 PolarHBondContact O-N 2.87Å; L253-A256 WeakPolarHBondContact O-CB 3.2Å; L253-A256 PolarHBondContact O-N 3.34Å; L253-L257 PolarHBondContact O-N 3.45Å; L253-L445 HydrophobicContact CD1-CD1 4.14Å; L253-L445 HydrophobicContact CD2-CD1 4.27Å; L253-L445 HydrophobicContact CG-CD1 3.98Å; L253-F448 HydrophobicContact CD1-CD1 4.25Å; L253-F448 HydrophobicContact CD1-CE1 3.84Å; L253-V794 HydrophobicContact CD2-CG1 4.46Å; L253-Y797 HydrophobicContact CD1-CD1 3.93Å; L253-Y797 HydrophobicContact CD1-CE1 3.7Å; L253-Y797 HydrophobicContact CD2-CD1 3.98Å; L253-L798 HydrophobicContact CD2-CD2 3.66Å; L253-L798 HydrophobicContact CD2-CG 3.93Å; L253-L930 HydrophobicContact CB-CD1 4.23Å; L253-L930 HydrophobicContact CD1-CD1 4.21Å; L253-L930 HydrophobicContact CD1-CD2 3.76Å
254	I	97.2	Very high	95.7	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.062	19%	0.193	C	C	.	.	H	α-helix	trans	-65.1	-42.2	175.2	-69.6	-65.5	0	0	0	110.4	S250 A256 L257 L258 L279 L282 L930 V934	S250-I254 VanDerWaalsContact O-CB 3.29Å; S250-I254 WeakPolarHBondContact O-CB 3.44Å; S250-I254 VanDerWaalsContact O-CG1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.34Å; S250-I254 PolarHBondContact O-N 3.49Å; I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.23Å; I254-L257 HydrophobicContact CD1-CD1 4.46Å; I254-L257 PolarHBondContact O-N 3.27Å; I254-L258 HydrophobicContact CG2-CD1 4.14Å; I254-L258 HydrophobicContact CG2-CG 4.49Å; I254-L258 WeakPolarHBondContact O-CG 3.42Å; I254-L258 PolarHBondContact O-N 3.1Å; I254-L279 HydrophobicContact CD1-CD2 3.95Å; I254-L279 HydrophobicContact CG2-CD2 4.28Å; I254-L282 HydrophobicContact CG2-CD1 3.42Å; I254-L282 VanDerWaalsContact CG2-CD1 3.42Å; I254-L282 HydrophobicContact CG2-CD2 4.41Å; I254-L930 HydrophobicContact CD1-CB 4.18Å; I254-L930 HydrophobicContact CG1-CB 4.33Å; I254-V934 HydrophobicContact CB-CG2 4.32Å; I254-V934 HydrophobicContact CG1-CG2 3.89Å
255	K	97.4	Very high	96	Very high	107 Å²	107	36.4 Å²	36.4	47%	0.465	18%	0.182	S	C	.	.	H	α-helix	trans	-59.1	-43.8	173.9	-176.3	172.7	177.3	-169.4	0	111.4	E251 A252 L257 L258 L259 T435 F439	E251-K255 VanDerWaalsContact O-CB 3.24Å; E251-K255 WeakPolarHBondContact O-CB 3.34Å; E251-K255 PolarHBondContact O-N 3.32Å; A252-K255 PolarHBondContact O-N 2.9Å; K255-L257 VanDerWaalsContact C-N 3.35Å; K255-L257 PolarHBondContact O-N 3.11Å; K255-L258 PolarHBondContact O-N 2.93Å; K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 3.18Å; K255-T435 HydrophobicContact CD-CG2 4.36Å; K255-F439 HydrophobicContact CB-CE2 4.35Å; K255-F439 HydrophobicContact CD-CE2 4.46Å; K255-F439 HydrophobicContact CD-CZ 4.09Å; K255-F439 HydrophobicContact CG-CE2 4.47Å
256	A	98.4	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-41.9	176.4	0	0	0	0	0	112.6	A252 L253 I254 L259 R260 I436 F439 F777 L798	A252-A256 WeakPolarHBondContact O-CB 3.47Å; A252-A256 PolarHBondContact O-N 3.44Å; L253-A256 WeakPolarHBondContact O-CB 3.2Å; L253-A256 PolarHBondContact O-N 3.34Å; I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.23Å; A256-L259 PolarHBondContact O-N 2.98Å; A256-R260 PolarHBondContact O-N 2.87Å; A256-I436 HydrophobicContact CB-CD1 3.46Å; A256-I436 VanDerWaalsContact CB-CD1 3.46Å; A256-F439 HydrophobicContact CB-CD2 4.3Å; A256-F439 HydrophobicContact CB-CE2 4.48Å; A256-F777 HydrophobicContact CB-CE1 4.15Å; A256-F777 HydrophobicContact CB-CZ 4.33Å; A256-F777 WeakPolarHBondContact O-CE1 3.5Å; A256-L798 HydrophobicContact CB-CD1 3.96Å; A256-L798 HydrophobicContact CB-CD2 3.67Å
257	L	98.2	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.8	-43.3	175.6	-78.2	179.9	0	0	0	113.1	L253 I254 K255 L259 R260 Q261 T275 L279 I801 A802 L927	L253-L257 PolarHBondContact O-N 3.45Å; I254-L257 HydrophobicContact CD1-CD1 4.46Å; I254-L257 PolarHBondContact O-N 3.27Å; K255-L257 VanDerWaalsContact C-N 3.35Å; K255-L257 PolarHBondContact O-N 3.11Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 PolarHBondContact O-N 3.49Å; L257-R260 PolarHBondContact O-N 3.36Å; L257-Q261 WeakPolarHBondContact O-CB 3.34Å; L257-Q261 PolarHBondContact O-N 3.06Å; L257-T275 HydrophobicContact CD1-CG2 3.96Å; L257-T275 HydrophobicContact CD2-CG2 4.04Å; L257-L279 HydrophobicContact CB-CD1 3.96Å; L257-L279 HydrophobicContact CB-CD2 4.08Å; L257-L279 HydrophobicContact CD1-CD2 4.25Å; L257-I801 HydrophobicContact CD1-CD1 3.75Å; L257-I801 HydrophobicContact CD1-CG1 4.06Å; L257-I801 HydrophobicContact CD2-CD1 4.43Å; L257-I801 HydrophobicContact CD2-CG1 4.11Å; L257-I801 HydrophobicContact CG-CD1 4.14Å; L257-I801 HydrophobicContact CG-CG1 4.35Å; L257-A802 HydrophobicContact CD2-CB 3.71Å; L257-L927 HydrophobicContact CD1-CD2 4.46Å
258	L	97.6	Very high	96.4	Very high	73 Å²	73	34.3 Å²	34.3	38%	0.382	17%	0.172	S	C	.	.	H	α-helix	trans	-62.9	-39.4	176.3	-69.6	171.2	0	0	0	111.8	I254 K255 Q261 K262 L279 L282	I254-L258 HydrophobicContact CG2-CD1 4.14Å; I254-L258 HydrophobicContact CG2-CG 4.49Å; I254-L258 WeakPolarHBondContact O-CG 3.42Å; I254-L258 PolarHBondContact O-N 3.1Å; K255-L258 PolarHBondContact O-N 2.93Å; L258-Q261 PolarHBondContact O-N 3.34Å; L258-K262 WeakPolarHBondContact O-CB 3.46Å; L258-K262 PolarHBondContact O-N 3.5Å; L258-L279 HydrophobicContact CD2-CB 4.43Å; L258-L279 HydrophobicContact CD2-CD1 4.48Å; L258-L279 HydrophobicContact CD2-CD2 4.29Å; L258-L279 HydrophobicContact CG-CD2 4.45Å; L258-L282 HydrophobicContact CD1-CD1 4.3Å; L258-L282 HydrophobicContact CD2-CD1 4.45Å
259	L	98.1	Very high	96.5	Very high	17 Å²	17	29.2 Å²	29.2	9%	0.089	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-47.4	174.4	-70.8	179.2	0	0	0	111.4	K255 A256 L257 Q261 K262 Y263 D432 T435 I436 L778	K255-L259 WeakPolarHBondContact O-CG 3.42Å; K255-L259 PolarHBondContact O-N 3.18Å; A256-L259 PolarHBondContact O-N 2.98Å; L257-L259 VanDerWaalsContact C-N 3.33Å; L257-L259 PolarHBondContact O-N 3.49Å; L259-Q261 PolarHBondContact O-N 3.34Å; L259-K262 WeakPolarHBondContact O-CB 3.4Å; L259-K262 PolarHBondContact O-N 2.65Å; L259-Y263 WeakPolarHBondContact O-CD2 3.49Å; L259-Y263 PolarHBondContact O-N 2.86Å; L259-D432 HydrophobicContact CD1-CB 4.2Å; L259-D432 HydrophobicContact CD2-CB 4.16Å; L259-D432 WeakPolarHBondContact CD2-OD1 3.19Å; L259-T435 HydrophobicContact CD1-CG2 4.19Å; L259-I436 HydrophobicContact CD1-CD1 3.9Å; L259-I436 HydrophobicContact CD1-CG1 4.32Å; L259-L778 HydrophobicContact CB-CD2 3.88Å
260	R	98.3	Very high	96.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	15%	0.153	C	C	.	.	H	α-helix	trans	-59.6	-47.5	174.1	177.9	175.4	175.7	75.7	1	111.4	A256 L257 K262 Y263 I264 F271 C776 F777 A780 E781	A256-R260 PolarHBondContact O-N 2.87Å; L257-R260 PolarHBondContact O-N 3.36Å; R260-K262 VanDerWaalsContact C-N 3.27Å; R260-K262 PolarHBondContact O-N 3.21Å; R260-Y263 PolarHBondContact O-N 3.44Å; R260-I264 HydrophobicContact CG-CG1 3.79Å; R260-I264 WeakPolarHBondContact O-CB 3.39Å; R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.5Å; R260-I264 PolarHBondContact O-N 2.58Å; R260-F271 HydrophobicContact CB-CE2 4.35Å; R260-F271 HydrophobicContact CG-CD2 4.32Å; R260-F271 HydrophobicContact CG-CE2 3.95Å; R260-C776 PolarHBondContact NH1-O 2.95Å; R260-F777 HydrophobicContact CB-CE1 3.91Å; R260-F777 HydrophobicContact CB-CE2 4.4Å; R260-F777 HydrophobicContact CB-CZ 3.83Å; R260-F777 VanDerWaalsContact CD-O 3.24Å; R260-F777 WeakPolarHBondContact CD-O 3.29Å; R260-F777 WeakPolarHBondContact CG-O 3.29Å; R260-F777 PolarHBondContact NH1-O 3.11Å; R260-A780 VanDerWaalsContact CZ-O 3.3Å; R260-A780 PolarHBondContact NH1-O 2.84Å; R260-A780 PolarHBondContact NH2-O 3.48Å; R260-E781 PolarHBondContact NH2-O 2.78Å; R260-E781 VanDerWaalsContact NH2-O 3.14Å
261	Q	97.3	Very high	96.3	Very high	38 Å²	38	31.2 Å²	31.2	18%	0.178	16%	0.157	C	C	.	.	H	α-helix	trans	-55.9	-42.5	-178.8	-175.8	-178.3	-1.2	0	0	111.9	L257 L258 L259 T265 F271	L257-Q261 WeakPolarHBondContact O-CB 3.34Å; L257-Q261 PolarHBondContact O-N 3.06Å; L258-Q261 PolarHBondContact O-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.34Å; Q261-T265 WeakPolarHBondContact O-CB 3.43Å; Q261-T265 PolarHBondContact O-N 3.48Å; Q261-T265 PolarHBondContact O-OG1 3.18Å; Q261-F271 HydrophobicContact CB-CD2 4.25Å; Q261-F271 HydrophobicContact CB-CE1 4.4Å; Q261-F271 HydrophobicContact CB-CE2 3.86Å; Q261-F271 HydrophobicContact CB-CZ 3.93Å; Q261-F271 HydrophobicContact CG-CD1 4.46Å; Q261-F271 HydrophobicContact CG-CE1 4.38Å; Q261-F271 HydrophobicContact CG-CZ 4.4Å
262	K	96.5	Very high	96.3	Very high	97 Å²	97	29.7 Å²	29.7	42%	0.422	15%	0.15	S	C	.	.	H	α-helix	trans	-55.2	-54.2	175.5	171.5	-170.9	170	-167	0	111.9	L258 L259 R260 S266 D432	L258-K262 WeakPolarHBondContact O-CB 3.46Å; L258-K262 PolarHBondContact O-N 3.5Å; L259-K262 WeakPolarHBondContact O-CB 3.4Å; L259-K262 PolarHBondContact O-N 2.65Å; R260-K262 VanDerWaalsContact C-N 3.27Å; R260-K262 PolarHBondContact O-N 3.21Å; K262-S266 WeakPolarHBondContact O-CB 3.45Å; K262-S266 PolarHBondContact O-N 3.37Å; K262-S266 PolarHBondContact O-OG 2.91Å; K262-D432 IonicContact NZ-OD2 3.82Å; K262-D432 PolarHBondContact NZ-OD2 3.2Å
263	Y	97.9	Very high	96.1	Very high	10 Å²	10	31 Å²	31	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-45.2	-178.7	-74.5	-75.3	0	0	0	112.5	L259 R260 T265 S266 S267 F429 D432 F740 L778 L779	L259-Y263 WeakPolarHBondContact O-CD2 3.49Å; L259-Y263 PolarHBondContact O-N 2.86Å; R260-Y263 PolarHBondContact O-N 3.44Å; Y263-T265 PolarHBondContact O-N 3.41Å; Y263-S266 WeakPolarHBondContact CA-OG 3.35Å; Y263-S266 PolarHBondContact O-N 2.87Å; Y263-S266 PolarHBondContact O-OG 3.19Å; Y263-S267 PolarHBondContact O-N 3.25Å; Y263-S267 PolarHBondContact O-OG 2.88Å; Y263-F429 VanDerWaalsContact OH-CA 3.31Å; Y263-F429 WeakPolarHBondContact OH-CA 3.16Å; Y263-F429 PolarHBondContact OH-N 2.98Å; Y263-D432 HydrophobicContact CE2-CB 4.1Å; Y263-D432 WeakPolarHBondContact CE2-OD2 3.22Å; Y263-D432 PolarHBondContact OH-OD2 2.98Å; Y263-F740 AromaticContact CD1-CE1 3.83Å; Y263-F740 HydrophobicContact CD1-CE1 3.83Å; Y263-F740 AromaticContact CD1-CZ 3.83Å; Y263-F740 HydrophobicContact CD1-CZ 3.83Å; Y263-F740 HydrophobicContact CG-CZ 4.36Å; Y263-L778 WeakPolarHBondContact CB-O 3.43Å; Y263-L778 HydrophobicContact CD2-CB 4.12Å; Y263-L778 HydrophobicContact CD2-CD2 4.09Å; Y263-L778 HydrophobicContact CE2-CD2 4.21Å; Y263-L779 HydrophobicContact CD1-CD2 3.57Å; Y263-L779 HydrophobicContact CE1-CD2 4.05Å; Y263-L779 HydrophobicContact CG-CD2 3.86Å
264	I	97.1	Very high	95.9	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64	-41.3	-178.7	-64.4	-58.2	0	0	0	111.3	R260 S267 Q268 Q269 S270 F271	R260-I264 HydrophobicContact CG-CG1 3.79Å; R260-I264 WeakPolarHBondContact O-CB 3.39Å; R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.5Å; R260-I264 PolarHBondContact O-N 2.58Å; I264-S267 PolarHBondContact O-N 3.16Å; I264-S267 PolarHBondContact O-OG 3.39Å; I264-S267 VanDerWaalsContact O-OG 3.1Å; I264-Q268 PolarHBondContact O-N 2.9Å; I264-Q269 HydrophobicContact CD1-CB 4.29Å; I264-Q269 HydrophobicContact CG2-CB 3.86Å; I264-Q269 VanDerWaalsContact CG2-O 3.25Å; I264-Q269 WeakPolarHBondContact CG2-O 3.38Å; I264-Q269 PolarHBondContact O-N 3.27Å; I264-S270 WeakPolarHBondContact CG2-O 3.33Å; I264-F271 HydrophobicContact CB-CD2 4.28Å; I264-F271 HydrophobicContact CG1-CD2 4.47Å; I264-F271 HydrophobicContact CG2-CB 3.74Å; I264-F271 HydrophobicContact CG2-CD2 4.28Å
265	T	94.2	Very high	95.8	Very high	67 Å²	67	30.5 Å²	30.5	41%	0.411	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-43.9	176.4	-57.6	0	0	0	0	111.2	Q261 Y263 S267 Q268	Q261-T265 WeakPolarHBondContact O-CB 3.43Å; Q261-T265 PolarHBondContact O-N 3.48Å; Q261-T265 PolarHBondContact O-OG1 3.18Å; Y263-T265 PolarHBondContact O-N 3.41Å; T265-S267 PolarHBondContact O-N 2.81Å; T265-Q268 PolarHBondContact O-N 3.29Å; T265-Q268 VanDerWaalsContact O-N 3.16Å
266	S	92.1	Very high	95.6	Very high	16 Å²	16	28.5 Å²	28.5	11%	0.112	15%	0.146	C	C	.	.	H	α-helix	trans	-63.4	-24.7	178.4	70.7	0	0	0	0	114.1	K262 Y263 S744 Q748	K262-S266 WeakPolarHBondContact O-CB 3.45Å; K262-S266 PolarHBondContact O-N 3.37Å; K262-S266 PolarHBondContact O-OG 2.91Å; Y263-S266 WeakPolarHBondContact CA-OG 3.35Å; Y263-S266 PolarHBondContact O-N 2.87Å; Y263-S266 PolarHBondContact O-OG 3.19Å; S266-S744 PolarHBondContact O-OG 3.31Å; S266-Q748 PolarHBondContact O-NE2 3.07Å
267	S	94.2	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4.1	-180	52	0	0	0	0	113.6	Y263 I264 T265 Q269 F740 N747	Y263-S267 PolarHBondContact O-N 3.25Å; Y263-S267 PolarHBondContact O-OG 2.88Å; I264-S267 PolarHBondContact O-N 3.16Å; I264-S267 PolarHBondContact O-OG 3.39Å; I264-S267 VanDerWaalsContact O-OG 3.1Å; T265-S267 PolarHBondContact O-N 2.81Å; S267-Q269 PolarHBondContact O-N 2.93Å; S267-Q269 PolarHBondContact OG-NE2 3.23Å; S267-F740 VanDerWaalsContact CB-CE2 3.44Å; S267-F740 VanDerWaalsContact OG-CE2 3.32Å; S267-F740 WeakPolarHBondContact OG-CE2 3.22Å; S267-N747 PolarHBondContact O-ND2 2.97Å
268	Q	94.7	Very high	95.1	Very high	60 Å²	60	29.9 Å²	29.9	28%	0.28	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	29.9	-174.4	-51.5	-67.7	-28.4	0	0	112.6	I264 T265 S324 N747 Q748	I264-Q268 PolarHBondContact O-N 2.9Å; T265-Q268 PolarHBondContact O-N 3.29Å; T265-Q268 VanDerWaalsContact O-N 3.16Å; Q268-S324 WeakPolarHBondContact O-CB 3.3Å; Q268-N747 HydrophobicContact CB-CB 4.09Å; Q268-N747 HydrophobicContact CG-CB 4.32Å; Q268-Q748 HydrophobicContact CG-CG 4.32Å
269	Q	95.5	Very high	94.8	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.047	14%	0.135	C	C	.	.			trans	-90.3	162.9	173.7	-70.9	-177.5	100	0	0	110.3	I264 S267 F760 L779 E781	I264-Q269 HydrophobicContact CD1-CB 4.29Å; I264-Q269 HydrophobicContact CG2-CB 3.86Å; I264-Q269 VanDerWaalsContact CG2-O 3.25Å; I264-Q269 WeakPolarHBondContact CG2-O 3.38Å; I264-Q269 PolarHBondContact O-N 3.27Å; S267-Q269 PolarHBondContact O-N 2.93Å; S267-Q269 PolarHBondContact OG-NE2 3.23Å; Q269-F760 VanDerWaalsContact OE1-CB 3.31Å; Q269-L779 PolarHBondContact NE2-O 2.88Å; Q269-E781 HydrophobicContact CB-CB 4.3Å; Q269-E781 HydrophobicContact CG-CB 4.43Å; Q269-E781 VanDerWaalsContact OE1-CB 3.3Å; Q269-E781 VanDerWaalsContact OE1-N 3.15Å
270	S	91.8	Very high	94.4	Very high	32 Å²	32	28.8 Å²	28.8	22%	0.224	15%	0.151	C	C	.	.			trans	-79.2	126.6	-175.9	-47.7	0	0	0	0	111.5	I264 E781	I264-S270 WeakPolarHBondContact CG2-O 3.33Å; S270-E781 WeakPolarHBondContact CB-OE2 3.45Å; S270-E781 PolarHBondContact N-OE2 3.16Å; S270-E781 PolarHBondContact OG-OE2 2.92Å
271	F	95.1	Very high	93.9	Very high	15 Å²	15	28.8 Å²	28.8	7%	0.066	15%	0.151	C	C	.	.			trans	-111.9	138.8	170.2	-169.1	-92	0	0	0	110	R260 Q261 I264 C273 T275 K276 L279	R260-F271 HydrophobicContact CB-CE2 4.35Å; R260-F271 HydrophobicContact CG-CD2 4.32Å; R260-F271 HydrophobicContact CG-CE2 3.95Å; Q261-F271 HydrophobicContact CB-CD2 4.25Å; Q261-F271 HydrophobicContact CB-CE1 4.4Å; Q261-F271 HydrophobicContact CB-CE2 3.86Å; Q261-F271 HydrophobicContact CB-CZ 3.93Å; Q261-F271 HydrophobicContact CG-CD1 4.46Å; Q261-F271 HydrophobicContact CG-CE1 4.38Å; Q261-F271 HydrophobicContact CG-CZ 4.4Å; I264-F271 HydrophobicContact CB-CD2 4.28Å; I264-F271 HydrophobicContact CG1-CD2 4.47Å; I264-F271 HydrophobicContact CG2-CB 3.74Å; I264-F271 HydrophobicContact CG2-CD2 4.28Å; F271-C273 PolarHBondContact O-N 3.04Å; F271-T275 HydrophobicContact CE1-CG2 4.01Å; F271-T275 HydrophobicContact CZ-CG2 4.02Å; F271-K276 HydrophobicContact CD1-CB 3.92Å; F271-K276 HydrophobicContact CE1-CB 4.15Å; F271-L279 HydrophobicContact CE1-CD1 4.07Å; F271-L279 HydrophobicContact CZ-CD1 3.93Å
272	H	96	Very high	93.4	Very high	53 Å²	53	27.5 Å²	27.5	25%	0.245	15%	0.145	C	C	.	.			trans	-59.3	126	-173.6	-172.6	-107.7	0	0	0	112.3	T274 T275 K276 A802 Q803	H272-T274 WeakPolarHBondContact CE1-CB 3.46Å; H272-T274 PolarHBondContact CE1-OG1 3.33Å; H272-T274 VanDerWaalsContact CE1-OG1 3.24Å; H272-T275 PolarHBondContact ND1-N 2.87Å; H272-T275 PolarHBondContact ND1-OG1 3.5Å; H272-T275 VanDerWaalsContact ND1-OG1 3.13Å; H272-T275 PolarHBondContact O-N 2.98Å; H272-K276 PolarHBondContact O-N 3.48Å; H272-A802 WeakPolarHBondContact CB-O 3.13Å; H272-Q803 HydrophobicContact CB-CB 4.04Å
273	C	92.5	Very high	92.5	Very high	38 Å²	38	30 Å²	30	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-61.6	-46.8	-172.2	45.6	0	0	0	0	112.9	F271 T275 K276 R277 E899	F271-C273 PolarHBondContact O-N 3.04Å; C273-T275 VanDerWaalsContact C-N 3.31Å; C273-T275 PolarHBondContact O-N 3.22Å; C273-K276 WeakPolarHBondContact O-CB 3.33Å; C273-K276 PolarHBondContact O-N 2.89Å; C273-R277 WeakPolarHBondContact O-CB 3.39Å; C273-R277 PolarHBondContact O-N 3.27Å; C273-E899 HydrophobicContact CB-CG 4.34Å; C273-E899 WeakPolarHBondContact SG-CG 3.5Å
274	T	94.1	Very high	91.6	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-45.8	177.7	-48.4	0	0	0	0	110.9	H272 K276 R277 Y278 E899 F920 L923 T924 L927	H272-T274 WeakPolarHBondContact CE1-CB 3.46Å; H272-T274 PolarHBondContact CE1-OG1 3.33Å; H272-T274 VanDerWaalsContact CE1-OG1 3.24Å; T274-K276 VanDerWaalsContact C-N 3.34Å; T274-K276 PolarHBondContact O-N 2.85Å; T274-R277 PolarHBondContact O-N 2.96Å; T274-Y278 HydrophobicContact CG2-CD2 4.09Å; T274-Y278 HydrophobicContact CG2-CE2 4.03Å; T274-Y278 WeakPolarHBondContact O-CD2 3.37Å; T274-Y278 PolarHBondContact O-N 3.23Å; T274-Y278 VanDerWaalsContact O-N 3.08Å; T274-E899 VanDerWaalsContact CA-OE2 3.26Å; T274-E899 WeakPolarHBondContact CA-OE2 3.49Å; T274-E899 VanDerWaalsContact CB-OE2 3.23Å; T274-E899 WeakPolarHBondContact CB-OE2 3.44Å; T274-E899 WeakPolarHBondContact CG2-OE2 3.29Å; T274-E899 PolarHBondContact N-OE1 3.48Å; T274-E899 PolarHBondContact OG1-OE2 2.95Å; T274-F920 HydrophobicContact CG2-CE2 4Å; T274-L923 HydrophobicContact CG2-CD2 4.44Å; T274-T924 HydrophobicContact CG2-CG2 3.87Å; T274-L927 HydrophobicContact CG2-CD1 4.05Å
275	T	95	Very high	90.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-41.1	-179.2	-46.8	0	0	0	0	110.4	L257 F271 H272 C273 R277 Y278 L279 I801 L927	L257-T275 HydrophobicContact CD1-CG2 3.96Å; L257-T275 HydrophobicContact CD2-CG2 4.04Å; F271-T275 HydrophobicContact CE1-CG2 4.01Å; F271-T275 HydrophobicContact CZ-CG2 4.02Å; H272-T275 PolarHBondContact ND1-N 2.87Å; H272-T275 PolarHBondContact ND1-OG1 3.5Å; H272-T275 VanDerWaalsContact ND1-OG1 3.13Å; H272-T275 PolarHBondContact O-N 2.98Å; C273-T275 VanDerWaalsContact C-N 3.31Å; C273-T275 PolarHBondContact O-N 3.22Å; T275-R277 PolarHBondContact O-N 3.29Å; T275-Y278 PolarHBondContact O-N 3.3Å; T275-L279 HydrophobicContact CG2-CD1 4.26Å; T275-L279 VanDerWaalsContact O-CG 3.28Å; T275-L279 WeakPolarHBondContact O-CG 3.39Å; T275-L279 PolarHBondContact O-N 3.38Å; T275-I801 VanDerWaalsContact CG2-O 3.3Å; T275-I801 WeakPolarHBondContact CG2-O 3.17Å; T275-I801 PolarHBondContact OG1-O 3.16Å; T275-L927 HydrophobicContact CG2-CD2 4.17Å
276	K	93.6	Very high	89.6	Confident	66 Å²	66	34.7 Å²	34.7	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-46.9	175.2	-171.9	176.6	177.7	-179.1	0	112	F271 H272 C273 T274 Y278 L279 S280 N322	F271-K276 HydrophobicContact CD1-CB 3.92Å; F271-K276 HydrophobicContact CE1-CB 4.15Å; H272-K276 PolarHBondContact O-N 3.48Å; C273-K276 WeakPolarHBondContact O-CB 3.33Å; C273-K276 PolarHBondContact O-N 2.89Å; T274-K276 VanDerWaalsContact C-N 3.34Å; T274-K276 PolarHBondContact O-N 2.85Å; K276-Y278 VanDerWaalsContact C-N 3.28Å; K276-Y278 PolarHBondContact O-N 3.35Å; K276-L279 PolarHBondContact O-N 3.38Å; K276-L279 VanDerWaalsContact O-N 3.15Å; K276-S280 PolarHBondContact O-N 3.17Å; K276-S280 PolarHBondContact O-OG 3.42Å; K276-N322 WeakPolarHBondContact CD-ND2 3.37Å; K276-N322 WeakPolarHBondContact CE-ND2 3.31Å; K276-N322 VanDerWaalsContact NZ-CG 3.27Å; K276-N322 PolarHBondContact NZ-ND2 3.09Å; K276-N322 PolarHBondContact NZ-OD1 3.16Å
277	R	92.3	Very high	89	Confident	23 Å²	23	35.4 Å²	35.4	9%	0.087	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-40.5	-178.3	-170.3	162.5	61.8	72.9	3.8	111.6	C273 T274 T275 S280 L290 E293 E899	C273-R277 WeakPolarHBondContact O-CB 3.39Å; C273-R277 PolarHBondContact O-N 3.27Å; T274-R277 PolarHBondContact O-N 2.96Å; T275-R277 PolarHBondContact O-N 3.29Å; R277-S280 PolarHBondContact O-N 3.47Å; R277-S280 PolarHBondContact O-OG 3.4Å; R277-L290 HydrophobicContact CG-CD2 4Å; R277-E293 WeakPolarHBondContact CD-OE2 3.44Å; R277-E293 IonicContact CZ-OE2 3.79Å; R277-E293 IonicContact NE-OE2 3.72Å; R277-E293 IonicContact NH1-OE2 2.94Å; R277-E293 PolarHBondContact NH1-OE2 3.18Å; R277-E899 IonicContact CZ-OE1 3.14Å; R277-E899 IonicContact CZ-OE2 3.9Å; R277-E899 IonicContact NE-OE1 3.49Å; R277-E899 PolarHBondContact NE-OE1 3.43Å; R277-E899 VanDerWaalsContact NE-OE1 3.07Å; R277-E899 IonicContact NE-OE2 4Å; R277-E899 PolarHBondContact NE-OE2 3.32Å; R277-E899 IonicContact NH2-OE1 3.09Å; R277-E899 IonicContact NH2-OE2 3.35Å; R277-E899 PolarHBondContact NH2-OE2 2.76Å
278	Y	93.1	Very high	88	Confident	5 Å²	5	43.3 Å²	43.3	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-67.9	-40.2	174	-89.6	-104.6	0	0	0	113.8	T274 T275 K276 S280 V281 L290 E294 T924 L927 R928 L931	T274-Y278 HydrophobicContact CG2-CD2 4.09Å; T274-Y278 HydrophobicContact CG2-CE2 4.03Å; T274-Y278 WeakPolarHBondContact O-CD2 3.37Å; T274-Y278 PolarHBondContact O-N 3.23Å; T274-Y278 VanDerWaalsContact O-N 3.08Å; T275-Y278 PolarHBondContact O-N 3.3Å; K276-Y278 VanDerWaalsContact C-N 3.28Å; K276-Y278 PolarHBondContact O-N 3.35Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; Y278-V281 PolarHBondContact O-N 3.47Å; Y278-L290 HydrophobicContact CD1-CD1 3.92Å; Y278-L290 HydrophobicContact CD2-CD1 4.41Å; Y278-L290 HydrophobicContact CD2-CD2 4.36Å; Y278-L290 HydrophobicContact CE1-CD1 3.89Å; Y278-L290 HydrophobicContact CE2-CD1 4.34Å; Y278-L290 HydrophobicContact CE2-CD2 4.46Å; Y278-L290 HydrophobicContact CG-CD1 4.24Å; Y278-E294 PolarHBondContact OH-OE1 3.05Å; Y278-T924 HydrophobicContact CE2-CG2 3.93Å; Y278-T924 WeakPolarHBondContact OH-CA 3.49Å; Y278-T924 WeakPolarHBondContact OH-CB 3.44Å; Y278-T924 WeakPolarHBondContact OH-CG2 3.36Å; Y278-T924 PolarHBondContact OH-O 3.4Å; Y278-L927 HydrophobicContact CD1-CB 3.39Å; Y278-L927 HydrophobicContact CD1-CD1 4.4Å; Y278-L927 HydrophobicContact CD1-CG 4.48Å; Y278-L927 HydrophobicContact CD2-CD1 4.12Å; Y278-L927 HydrophobicContact CE1-CB 3.57Å; Y278-L927 HydrophobicContact CG-CB 3.84Å; Y278-L927 HydrophobicContact CG-CD1 4Å; Y278-R928 HydrophobicContact CE1-CB 4.28Å; Y278-R928 HydrophobicContact CE1-CG 3.45Å; Y278-R928 VanDerWaalsContact CE1-CG 3.45Å; Y278-R928 WeakPolarHBondContact OH-CG 3.35Å; Y278-L931 HydrophobicContact CD1-CD2 4.21Å
279	L	92.6	Very high	87	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-33.5	175.9	-67.4	171	0	0	0	112	I254 L257 L258 F271 T275 K276 V281 L282	I254-L279 HydrophobicContact CD1-CD2 3.95Å; I254-L279 HydrophobicContact CG2-CD2 4.28Å; L257-L279 HydrophobicContact CB-CD1 3.96Å; L257-L279 HydrophobicContact CB-CD2 4.08Å; L257-L279 HydrophobicContact CD1-CD2 4.25Å; L258-L279 HydrophobicContact CD2-CB 4.43Å; L258-L279 HydrophobicContact CD2-CD1 4.48Å; L258-L279 HydrophobicContact CD2-CD2 4.29Å; L258-L279 HydrophobicContact CG-CD2 4.45Å; F271-L279 HydrophobicContact CE1-CD1 4.07Å; F271-L279 HydrophobicContact CZ-CD1 3.93Å; T275-L279 HydrophobicContact CG2-CD1 4.26Å; T275-L279 VanDerWaalsContact O-CG 3.28Å; T275-L279 WeakPolarHBondContact O-CG 3.39Å; T275-L279 PolarHBondContact O-N 3.38Å; K276-L279 PolarHBondContact O-N 3.38Å; K276-L279 VanDerWaalsContact O-N 3.15Å; L279-V281 PolarHBondContact O-N 3.41Å; L279-L282 HydrophobicContact CD2-CD1 3.94Å; L279-L282 VanDerWaalsContact O-CB 3.24Å; L279-L282 WeakPolarHBondContact O-CB 3.38Å; L279-L282 WeakPolarHBondContact O-CG 3.24Å; L279-L282 PolarHBondContact O-N 3.18Å
280	S	88.6	Confident	86.2	Confident	62 Å²	62	42.9 Å²	42.9	43%	0.434	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-18.6	177.2	53.7	0	0	0	0	114.2	K276 R277 Y278 L282 D283	K276-S280 PolarHBondContact O-N 3.17Å; K276-S280 PolarHBondContact O-OG 3.42Å; R277-S280 PolarHBondContact O-N 3.47Å; R277-S280 PolarHBondContact O-OG 3.4Å; Y278-S280 VanDerWaalsContact C-N 3.33Å; S280-L282 PolarHBondContact O-N 3.36Å; S280-D283 PolarHBondContact O-N 2.71Å
281	V	88.6	Confident	85.5	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-20.9	173.4	176.5	0	0	0	0	112.1	Y278 L279 D283 S284 G285 S286 V287 L290 L931 L935	Y278-V281 PolarHBondContact O-N 3.47Å; L279-V281 PolarHBondContact O-N 3.41Å; V281-D283 PolarHBondContact O-N 2.92Å; V281-S284 PolarHBondContact O-N 3.46Å; V281-S284 PolarHBondContact O-OG 2.86Å; V281-G285 WeakPolarHBondContact O-CA 3.35Å; V281-G285 PolarHBondContact O-N 2.98Å; V281-S286 WeakPolarHBondContact CG1-O 3.34Å; V281-V287 HydrophobicContact CG1-CG2 4.13Å; V281-L290 HydrophobicContact CG2-CD1 3.73Å; V281-L290 HydrophobicContact CG2-CD2 3.83Å; V281-L290 HydrophobicContact CG2-CG 3.71Å; V281-L931 HydrophobicContact CB-CD1 4.46Å; V281-L931 HydrophobicContact CB-CD2 3.88Å; V281-L931 HydrophobicContact CG1-CD1 4.46Å; V281-L931 HydrophobicContact CG1-CD2 3.84Å; V281-L931 HydrophobicContact CG2-CD2 4.47Å; V281-L935 HydrophobicContact CG1-CD1 4.46Å
282	L	85.1	Confident	84.4	Confident	11 Å²	11	47.8 Å²	47.8	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-24.2	175.5	-64.8	167.2	0	0	0	112.6	I254 L258 L279 S280 L931 V934 R938	I254-L282 HydrophobicContact CG2-CD1 3.42Å; I254-L282 VanDerWaalsContact CG2-CD1 3.42Å; I254-L282 HydrophobicContact CG2-CD2 4.41Å; L258-L282 HydrophobicContact CD1-CD1 4.3Å; L258-L282 HydrophobicContact CD2-CD1 4.45Å; L279-L282 HydrophobicContact CD2-CD1 3.94Å; L279-L282 VanDerWaalsContact O-CB 3.24Å; L279-L282 WeakPolarHBondContact O-CB 3.38Å; L279-L282 WeakPolarHBondContact O-CG 3.24Å; L279-L282 PolarHBondContact O-N 3.18Å; S280-L282 PolarHBondContact O-N 3.36Å; L282-L931 HydrophobicContact CD2-CD1 3.45Å; L282-L931 VanDerWaalsContact CD2-CD1 3.45Å; L282-L931 HydrophobicContact CG-CD1 3.85Å; L282-V934 HydrophobicContact CD2-CG1 4.05Å; L282-R938 PolarHBondContact O-NH1 3.25Å; L282-R938 VanDerWaalsContact O-NH1 3.1Å
283	D	79.2	Confident	83.4	Confident	151 Å²	151	48.1 Å²	48.1	81%	0.807	28%	0.283	S	S	*	.	H	α-helix	trans	-85.3	-39.2	177	-59.2	-32.7	0	0	0	111.4	S280 V281	S280-D283 PolarHBondContact O-N 2.71Å; V281-D283 PolarHBondContact O-N 2.92Å
284	S	78.7	Confident	82.7	Confident	76 Å²	76	46.4 Å²	46.4	53%	0.531	27%	0.271	S	S	.	.	H	α-helix	trans	-81.7	-24.3	-179.9	72.9	0	0	0	0	113.9	V281 S286	V281-S284 PolarHBondContact O-N 3.46Å; V281-S284 PolarHBondContact O-OG 2.86Å; S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 VanDerWaalsContact O-N 3.17Å; S284-S286 PolarHBondContact OG-N 3.48Å
285	G	75.4	Confident	81.8	Confident	48 Å²	48	49.2 Å²	49.2	50%	0.495	28%	0.283	S	S	.	.			trans	68.3	2.2	-174.6	0	0	0	0	0	115	V281	V281-G285 WeakPolarHBondContact O-CA 3.35Å; V281-G285 PolarHBondContact O-N 2.98Å
286	S	73.9	Confident	80.9	Confident	51 Å²	51	53.6 Å²	53.6	36%	0.357	30%	0.303	S	S	.	.			trans	-122.6	116.6	-173.5	-177	0	0	0	0	112.1	V281 S284 K288	V281-S286 WeakPolarHBondContact CG1-O 3.34Å; S284-S286 PolarHBondContact O-N 2.94Å; S284-S286 VanDerWaalsContact O-N 3.17Å; S284-S286 PolarHBondContact OG-N 3.48Å; S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 3.01Å
287	V	78.1	Confident	80.1	Confident	30 Å²	30	51.9 Å²	51.9	18%	0.182	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.7	177.6	-179.8	0	0	0	0	112.2	V281 S289 L290 L931 L935	V281-V287 HydrophobicContact CG1-CG2 4.13Å; V287-S289 PolarHBondContact O-N 3.11Å; V287-S289 VanDerWaalsContact O-N 3.11Å; V287-L290 HydrophobicContact CG1-CD1 4.21Å; V287-L290 WeakPolarHBondContact O-CB 3.32Å; V287-L290 PolarHBondContact O-N 3.18Å; V287-L931 HydrophobicContact CG2-CD2 4.25Å; V287-L935 HydrophobicContact CG2-CD1 3.63Å
288	K	73.6	Confident	79.3	Confident	167 Å²	167	53 Å²	53	73%	0.726	30%	0.3	S	S	*	.	H	α-helix	trans	-56.8	-32.7	-173.7	-66.5	-173.4	177.4	-175	0	113.6	S286 L290 D291	S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 3.01Å; K288-L290 PolarHBondContact O-N 3.34Å; K288-D291 PolarHBondContact O-N 3.44Å
289	S	73.7	Confident	78	Confident	59 Å²	59	52.8 Å²	52.8	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-24.2	178	61.3	0	0	0	0	113.1	V287 S292	V287-S289 PolarHBondContact O-N 3.11Å; V287-S289 VanDerWaalsContact O-N 3.11Å; S289-S292 PolarHBondContact O-OG 3.32Å
290	L	79.9	Confident	76.5	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-75.2	-26.7	-179.8	-62.7	-179.8	0	0	0	112.5	R277 Y278 V281 V287 K288 E294 L931	R277-L290 HydrophobicContact CG-CD2 4Å; Y278-L290 HydrophobicContact CD1-CD1 3.92Å; Y278-L290 HydrophobicContact CD2-CD1 4.41Å; Y278-L290 HydrophobicContact CD2-CD2 4.36Å; Y278-L290 HydrophobicContact CE1-CD1 3.89Å; Y278-L290 HydrophobicContact CE2-CD1 4.34Å; Y278-L290 HydrophobicContact CE2-CD2 4.46Å; Y278-L290 HydrophobicContact CG-CD1 4.24Å; V281-L290 HydrophobicContact CG2-CD1 3.73Å; V281-L290 HydrophobicContact CG2-CD2 3.83Å; V281-L290 HydrophobicContact CG2-CG 3.71Å; V287-L290 HydrophobicContact CG1-CD1 4.21Å; V287-L290 WeakPolarHBondContact O-CB 3.32Å; V287-L290 PolarHBondContact O-N 3.18Å; K288-L290 PolarHBondContact O-N 3.34Å; L290-E294 VanDerWaalsContact O-CB 3.29Å; L290-E294 WeakPolarHBondContact O-CB 3.14Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.36Å; L290-L931 HydrophobicContact CD1-CD2 4.07Å
291	D	76.4	Confident	74.9	Confident	75 Å²	75	57.8 Å²	57.8	40%	0.401	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-45.4	-173.4	-68.9	-36.1	0	0	0	112.1	K288 E294 K295 R928	K288-D291 PolarHBondContact O-N 3.44Å; D291-E294 PolarHBondContact O-N 2.91Å; D291-K295 WeakPolarHBondContact O-CG 3.33Å; D291-K295 PolarHBondContact O-N 3.49Å; D291-K295 VanDerWaalsContact O-N 3.1Å; D291-R928 IonicContact OD1-CZ 3.56Å; D291-R928 IonicContact OD1-NH2 2.65Å; D291-R928 PolarHBondContact OD1-NH2 3.46Å
292	S	72.9	Confident	72.7	Confident	75 Å²	75	62.5 Å²	62.5	52%	0.524	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-45.4	177.8	51.1	0	0	0	0	112	S289 K295 Q296	S289-S292 PolarHBondContact O-OG 3.32Å; S292-K295 PolarHBondContact O-N 2.95Å; S292-Q296 PolarHBondContact O-N 3.06Å
293	E	75	Confident	70.4	Confident	61 Å²	61	64.2 Å²	64.2	29%	0.285	36%	0.359	S	S	.	.	H	α-helix	trans	-64.8	-42.4	179.4	-65.7	179.6	143.8	0	0	111.6	R277 Q296 Y297	R277-E293 WeakPolarHBondContact CD-OE2 3.44Å; R277-E293 IonicContact CZ-OE2 3.79Å; R277-E293 IonicContact NE-OE2 3.72Å; R277-E293 IonicContact NH1-OE2 2.94Å; R277-E293 PolarHBondContact NH1-OE2 3.18Å; E293-Q296 WeakPolarHBondContact O-CB 3.43Å; E293-Q296 PolarHBondContact O-N 3.29Å; E293-Y297 HydrophobicContact CB-CD2 4.35Å; E293-Y297 HydrophobicContact CB-CE2 3.86Å; E293-Y297 WeakPolarHBondContact O-CD2 3.28Å; E293-Y297 PolarHBondContact O-N 2.78Å
294	E	77.5	Confident	68.1	Low	1 Å²	1	63.3 Å²	63.3	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-39.7	179.1	-87.8	-172.9	-146	0	0	114.3	Y278 L290 D291 Q296 Y297 K298 T924 R928	Y278-E294 PolarHBondContact OH-OE1 3.05Å; L290-E294 VanDerWaalsContact O-CB 3.29Å; L290-E294 WeakPolarHBondContact O-CB 3.14Å; L290-E294 WeakPolarHBondContact O-CG 3.36Å; L290-E294 PolarHBondContact O-N 3.36Å; D291-E294 PolarHBondContact O-N 2.91Å; E294-Q296 PolarHBondContact O-N 3.27Å; E294-Y297 PolarHBondContact O-N 3.07Å; E294-K298 WeakPolarHBondContact O-CB 3.46Å; E294-K298 WeakPolarHBondContact O-CD 3.42Å; E294-K298 VanDerWaalsContact O-CG 3.23Å; E294-K298 WeakPolarHBondContact O-CG 3.49Å; E294-K298 PolarHBondContact O-N 3.36Å; E294-K298 VanDerWaalsContact O-N 3.08Å; E294-K298 IonicContact OE2-NZ 2.66Å; E294-K298 PolarHBondContact OE2-NZ 3.34Å; E294-T924 HydrophobicContact CG-CG2 4.5Å; E294-R928 VanDerWaalsContact CD-NH1 3.27Å; E294-R928 IonicContact OE1-CZ 3.47Å; E294-R928 IonicContact OE1-NE 2.91Å; E294-R928 PolarHBondContact OE1-NE 3.33Å; E294-R928 IonicContact OE1-NH1 3.17Å; E294-R928 PolarHBondContact OE1-NH1 3.3Å; E294-R928 IonicContact OE1-NH2 2.92Å; E294-R928 PolarHBondContact OE1-NH2 3.33Å; E294-R928 IonicContact OE2-CZ 3.5Å; E294-R928 IonicContact OE2-NH1 3.11Å; E294-R928 PolarHBondContact OE2-NH1 3.34Å; E294-R928 IonicContact OE2-NH2 3.57Å; E294-R928 PolarHBondContact OE2-NH2 2.91Å
295	K	74.6	Confident	66	Low	62 Å²	62	66.1 Å²	66.1	27%	0.27	36%	0.361	S	S	.	.	H	α-helix	trans	-56.3	-42.7	173.9	-75.4	-178.8	-177.7	-175.4	0	109.2	E218 L221 D291 S292 K298 S299	E218-K295 IonicContact OE1-NZ 3.34Å; E218-K295 PolarHBondContact OE1-NZ 2.86Å; E218-K295 IonicContact OE2-NZ 3.27Å; E218-K295 PolarHBondContact OE2-NZ 2.88Å; E218-K295 VanDerWaalsContact OE2-NZ 3.16Å; L221-K295 HydrophobicContact CD2-CB 3.94Å; D291-K295 WeakPolarHBondContact O-CG 3.33Å; D291-K295 PolarHBondContact O-N 3.49Å; D291-K295 VanDerWaalsContact O-N 3.1Å; S292-K295 PolarHBondContact O-N 2.95Å; K295-K298 PolarHBondContact O-N 3.02Å; K295-S299 PolarHBondContact O-N 2.97Å
296	Q	75.4	Confident	63.7	Low	92 Å²	92	65.5 Å²	65.5	43%	0.43	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-50	177.1	-160.3	-176.8	0.3	0	0	112.1	L221 S292 E293 E294 K298 S299 M902	L221-Q296 HydrophobicContact CD2-CB 4.29Å; S292-Q296 PolarHBondContact O-N 3.06Å; E293-Q296 WeakPolarHBondContact O-CB 3.43Å; E293-Q296 PolarHBondContact O-N 3.29Å; E294-Q296 PolarHBondContact O-N 3.27Å; Q296-K298 PolarHBondContact O-N 3.48Å; Q296-S299 PolarHBondContact O-N 3.46Å; Q296-S299 VanDerWaalsContact O-N 3.09Å; Q296-S299 PolarHBondContact O-OG 3.21Å; Q296-M902 HydrophobicContact CG-SD 3.78Å
297	Y	77.7	Confident	61.5	Low	30 Å²	30	67.8 Å²	67.8	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-69.4	-15.3	-177.9	-60.9	-49.4	0	0	0	115	E293 E294 E899 V901 M902 F920	E293-Y297 HydrophobicContact CB-CD2 4.35Å; E293-Y297 HydrophobicContact CB-CE2 3.86Å; E293-Y297 WeakPolarHBondContact O-CD2 3.28Å; E293-Y297 PolarHBondContact O-N 2.78Å; E294-Y297 PolarHBondContact O-N 3.07Å; Y297-E899 HydrophobicContact CD1-CB 3.85Å; Y297-E899 HydrophobicContact CD2-CB 4.06Å; Y297-E899 HydrophobicContact CE1-CB 4.07Å; Y297-E899 HydrophobicContact CE2-CB 4.24Å; Y297-E899 HydrophobicContact CG-CB 3.87Å; Y297-V901 PolarHBondContact O-N 3.33Å; Y297-M902 HydrophobicContact CD1-SD 3.9Å; Y297-M902 HydrophobicContact CE1-SD 4.38Å; Y297-F920 AromaticContact CD2-CZ 3.96Å; Y297-F920 HydrophobicContact CD2-CZ 3.96Å; Y297-F920 HydrophobicContact CG-CZ 4.14Å
298	K	76.4	Confident	59.1	Low	46 Å²	46	72.4 Å²	72.4	20%	0.2	39%	0.394	C	S	.	.	H	α-helix	trans	-89.3	-14.2	174.1	-68.8	168.8	-164	169.8	0	113.2	E294 K295 Q296 F920 E921	E294-K298 WeakPolarHBondContact O-CB 3.46Å; E294-K298 WeakPolarHBondContact O-CD 3.42Å; E294-K298 VanDerWaalsContact O-CG 3.23Å; E294-K298 WeakPolarHBondContact O-CG 3.49Å; E294-K298 PolarHBondContact O-N 3.36Å; E294-K298 VanDerWaalsContact O-N 3.08Å; E294-K298 IonicContact OE2-NZ 2.66Å; E294-K298 PolarHBondContact OE2-NZ 3.34Å; K295-K298 PolarHBondContact O-N 3.02Å; Q296-K298 PolarHBondContact O-N 3.48Å; K298-F920 HydrophobicContact CG-CD1 4.27Å; K298-F920 HydrophobicContact CG-CE1 4.37Å; K298-E921 HydrophobicContact CD-CG 4.14Å; K298-E921 HydrophobicContact CG-CG 4.29Å
299	S	64.8	Low	57.2	Low	1 Å²	1	68 Å²	68	1%	0.007	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-88.4	144.9	-174.6	72.1	0	0	0	0	112.8	A224 K295 Q296 H301	A224-S299 WeakPolarHBondContact O-CA 3.29Å; K295-S299 PolarHBondContact O-N 2.97Å; Q296-S299 PolarHBondContact O-N 3.46Å; Q296-S299 VanDerWaalsContact O-N 3.09Å; Q296-S299 PolarHBondContact O-OG 3.21Å; S299-H301 PolarHBondContact O-N 3.07Å; S299-H301 VanDerWaalsContact O-N 3.14Å; S299-H301 PolarHBondContact OG-CD2 3.41Å
300	I	60.4	Low	55.3	Low	93 Å²	93	67.7 Å²	67.7	48%	0.477	38%	0.377	S	S	.	.			trans	-84.5	64.5	168.3	-48.6	170.3	0	0	0	107.5	A224 V226 V901	A224-I300 PolarHBondContact O-N 2.99Å; V226-I300 HydrophobicContact CG2-CD1 3.94Å; V226-I300 HydrophobicContact CG2-CG1 3.63Å; I300-V901 HydrophobicContact CG1-CG1 4.33Å
301	H	55.4	Low	52.8	Low	81 Å²	81	73.1 Å²	73.1	38%	0.375	41%	0.406	S	S	.	.			trans	-94	117.3	167.3	-78.7	-52.7	0	0	0	109.2	S299 P303	S299-H301 PolarHBondContact O-N 3.07Å; S299-H301 VanDerWaalsContact O-N 3.14Å; S299-H301 PolarHBondContact OG-CD2 3.41Å; H301-P303 VanDerWaalsContact O-CD 3.26Å; H301-P303 WeakPolarHBondContact O-CD 3.38Å
302	T	42.5	Very low	50.6	Low	102 Å²	102	74.3 Å²	74.3	63%	0.626	41%	0.413	S	S	*	.			trans	-63.1	115.9	158	-32.9	0	0	0	0	106.2	V304 L344	T302-V304 PolarHBondContact O-N 3.3Å; T302-L344 HydrophobicContact CG2-CD2 4Å
303	P	37.6	Very low	48.8	Very low	46 Å²	46	74.4 Å²	74.4	30%	0.299	41%	0.407	S	S	.	.			trans	-65.2	114.8	175.8	23.1	-27.5	0	0	0	108.1	H301 F305 N895	H301-P303 VanDerWaalsContact O-CD 3.26Å; H301-P303 WeakPolarHBondContact O-CD 3.38Å; P303-F305 PolarHBondContact O-N 2.7Å; P303-N895 WeakPolarHBondContact CG-ND2 3.42Å
304	V	30.7	Very low	46.7	Very low	132 Å²	132	76.1 Å²	76.1	80%	0.8	42%	0.421	S	S	*	.			trans	-69.1	111.4	163.1	179.4	0	0	0	0	105.5	T302 G306	T302-V304 PolarHBondContact O-N 3.3Å; V304-G306 PolarHBondContact O-N 2.94Å
305	F	33.9	Very low	44.3	Very low	135 Å²	135	82.7 Å²	82.7	59%	0.592	46%	0.457	S	S	*	.			trans	-65.3	86.6	165.4	-85.5	-83.6	0	0	0	107.7	P303	P303-F305 PolarHBondContact O-N 2.7Å
306	G	27.4	Very low	42	Very low	35 Å²	35	82.7 Å²	82.7	36%	0.361	46%	0.462	S	S	.	.			trans	-64.4	133.5	169.7	0	0	0	0	0	108.7	V304 N308 T309	V304-G306 PolarHBondContact O-N 2.94Å; G306-N308 PolarHBondContact O-N 3.22Å; G306-T309 PolarHBondContact O-N 3.27Å; G306-T309 VanDerWaalsContact O-N 3.09Å; G306-T309 PolarHBondContact O-OG1 2.95Å
307	S	27.6	Very low	39.7	Very low	99 Å²	99	85.7 Å²	85.7	69%	0.692	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-8.9	-176.2	58.8	0	0	0	0	115.9
308	N	29.2	Very low	37.5	Very low	127 Å²	127	90.9 Å²	90.9	68%	0.679	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	0.5	-173.9	-57.3	-3.6	0	0	0	113.5	G306	G306-N308 PolarHBondContact O-N 3.22Å
309	T	32.9	Very low	35.1	Very low	75 Å²	75	93.3 Å²	93.3	46%	0.46	52%	0.523	S	S	.	.	S	Bend	trans	-86.5	-12	174.7	38.9	0	0	0	0	113.6	G306 D311 I313	G306-T309 PolarHBondContact O-N 3.27Å; G306-T309 VanDerWaalsContact O-N 3.09Å; G306-T309 PolarHBondContact O-OG1 2.95Å; T309-D311 VanDerWaalsContact C-N 3.31Å; T309-D311 PolarHBondContact O-N 3.34Å; T309-I313 WeakPolarHBondContact O-CG1 3.36Å
310	V	33.2	Very low	33.2	Very low	52 Å²	52	97.4 Å²	97.4	32%	0.315	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-24.5	-175.5	-174	0	0	0	0	112.4	R339	V310-R339 HydrophobicContact CG1-CG 4.12Å
311	D	28.1	Very low	31.6	Very low	115 Å²	115	99.2 Å²	99.2	62%	0.615	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-29.6	-178.4	-64.3	-28.3	0	0	0	112.8	T309 I313 T314	T309-D311 VanDerWaalsContact C-N 3.31Å; T309-D311 PolarHBondContact O-N 3.34Å; D311-I313 VanDerWaalsContact C-N 3.32Å; D311-I313 PolarHBondContact O-N 3.47Å; D311-T314 PolarHBondContact O-N 3.02Å; D311-T314 PolarHBondContact O-OG1 3.43Å
312	N	30.7	Very low	30.5	Very low	100 Å²	100	97 Å²	97	54%	0.535	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-77.4	-13.2	178.7	-77.5	-16.5	0	0	0	114.5	T314 N315 T316	N312-T314 PolarHBondContact O-N 3.48Å; N312-N315 PolarHBondContact O-N 2.83Å; N312-T316 PolarHBondContact O-N 3.17Å; N312-T316 PolarHBondContact O-OG1 2.66Å
313	I	35	Very low	30	Very low	78 Å²	78	96.3 Å²	96.3	40%	0.4	54%	0.536	S	S	.	.	G	3₁₀ helix	trans	-68.4	-15.4	174.6	-64.6	168.9	0	0	0	111.4	T309 D311	T309-I313 WeakPolarHBondContact O-CG1 3.36Å; D311-I313 VanDerWaalsContact C-N 3.32Å; D311-I313 PolarHBondContact O-N 3.47Å
314	T	30.1	Very low	29.5	Very low	96 Å²	96	95.1 Å²	95.1	59%	0.589	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-99.8	-15.1	178.5	61.4	0	0	0	0	114.4	D311 N312	D311-T314 PolarHBondContact O-N 3.02Å; D311-T314 PolarHBondContact O-OG1 3.43Å; N312-T314 PolarHBondContact O-N 3.48Å
315	N	27.2	Very low	29.7	Very low	140 Å²	140	90.4 Å²	90.4	75%	0.749	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	9.4	-169.7	-92.2	-17.2	0	0	0	115	N312	N312-N315 PolarHBondContact O-N 2.83Å
316	T	27	Very low	29.9	Very low	62 Å²	62	87 Å²	87	38%	0.38	49%	0.485	S	S	.	.	S	Bend	trans	-133.6	135.1	175.1	59.1	0	0	0	0	110.6	N312 I318	N312-T316 PolarHBondContact O-N 3.17Å; N312-T316 PolarHBondContact O-OG1 2.66Å; T316-I318 HydrophobicContact CG2-CD1 4.08Å; T316-I318 PolarHBondContact O-N 3.49Å
317	N	27.4	Very low	30.3	Very low	155 Å²	155	88.4 Å²	88.4	83%	0.829	49%	0.485	S	S	*	.	S	Bend	trans	-65.4	37.5	169.8	-72.7	-40.5	0	0	0	112.3
318	I	30	Very low	30.8	Very low	139 Å²	139	88 Å²	88	71%	0.713	47%	0.474	S	S	*	.			trans	-113.8	34.3	-175.3	-47.9	169.3	0	0	0	109.4	T316	T316-I318 HydrophobicContact CG2-CD1 4.08Å; T316-I318 PolarHBondContact O-N 3.49Å
319	I	27.2	Very low	31.2	Very low	97 Å²	97	86 Å²	86	50%	0.497	46%	0.463	S	S	.	.	S	Bend	trans	-92.7	119.7	138.6	-57.7	175.8	0	0	0	102.3	I321	I319-I321 WeakPolarHBondContact O-CG1 3.42Å; I319-I321 PolarHBondContact O-N 3.12Å
320	P	24.5	Very low	31.6	Very low	86 Å²	86	83.7 Å²	83.7	56%	0.558	45%	0.45	S	S	*	.			trans	-54.7	115.5	169.6	-14	26.1	0	0	0	105.3	N322	P320-N322 HydrophobicContact CB-CB 4.1Å; P320-N322 PolarHBondContact O-N 3.01Å
321	I	27.2	Very low	31.9	Very low	131 Å²	131	82.4 Å²	82.4	67%	0.672	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	31.4	177	-39.2	173.6	0	0	0	109.5	I319	I319-I321 WeakPolarHBondContact O-CG1 3.42Å; I319-I321 PolarHBondContact O-N 3.12Å
322	N	30.8	Very low	32.6	Very low	34 Å²	34	79.5 Å²	79.5	18%	0.182	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-3.1	-164.6	-81.8	4.9	0	0	0	113.2	K276 P320	K276-N322 WeakPolarHBondContact CD-ND2 3.37Å; K276-N322 WeakPolarHBondContact CE-ND2 3.31Å; K276-N322 VanDerWaalsContact NZ-CG 3.27Å; K276-N322 PolarHBondContact NZ-ND2 3.09Å; K276-N322 PolarHBondContact NZ-OD1 3.16Å; P320-N322 HydrophobicContact CB-CB 4.1Å; P320-N322 PolarHBondContact O-N 3.01Å
323	Y	32.9	Very low	33.3	Very low	89 Å²	89	79.3 Å²	79.3	35%	0.349	42%	0.424	S	S	.	.			trans	-105.4	86.4	156.9	-72.4	-72.7	0	0	0	106.9	Y325 T897	Y323-Y325 PolarHBondContact O-N 3.43Å; Y323-T897 HydrophobicContact CD2-CG2 4.41Å; Y323-T897 HydrophobicContact CE2-CG2 4.04Å
324	S	27.5	Very low	33.8	Very low	21 Å²	21	77.9 Å²	77.9	15%	0.147	41%	0.414	C	S	.	.			trans	-69.4	79.8	167.9	-174.1	0	0	0	0	108.1	Q268 T757	Q268-S324 WeakPolarHBondContact O-CB 3.3Å; S324-T757 PolarHBondContact O-OG1 2.88Å; S324-T757 WeakPolarHBondContact OG-CG2 3.14Å; S324-T757 PolarHBondContact OG-OG1 2.85Å
325	Y	33.2	Very low	34.6	Very low	33 Å²	33	75.4 Å²	75.4	13%	0.129	40%	0.397	C	S	.	.			trans	-144.9	53.5	179.3	-105.2	-70.2	0	0	0	110.5	Y323 G882 P885	Y323-Y325 PolarHBondContact O-N 3.43Å; Y325-G882 WeakPolarHBondContact OH-CA 3.45Å; Y325-P885 HydrophobicContact CG-CG 4.5Å
326	N	38.3	Very low	35.5	Very low	64 Å²	64	76.3 Å²	76.3	34%	0.342	39%	0.39	S	S	.	.			trans	-125.7	88.8	-174.2	-64.9	-24.6	0	0	0	110.2	I328 T331 G754	N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 PolarHBondContact O-N 3.04Å; N326-I328 VanDerWaalsContact O-N 3.09Å; N326-T331 WeakPolarHBondContact CA-OG1 3.42Å; N326-T331 WeakPolarHBondContact CB-OG1 3.35Å; N326-T331 WeakPolarHBondContact OD1-CG2 3.37Å; N326-T331 PolarHBondContact OD1-OG1 3.13Å; N326-G754 CarbonylContact O-C 3.58Å; N326-G754 VanDerWaalsContact O-O 3.11Å
327	N	36.4	Very low	36.5	Very low	64 Å²	64	75.2 Å²	75.2	34%	0.342	38%	0.383	S	S	.	.			trans	-57	106.9	134.9	-178.3	-15.3	0	0	0	104.5	N329 S330 T331	N327-N329 PolarHBondContact O-N 2.92Å; N327-N329 WeakPolarHBondContact OD1-CB 3.42Å; N327-N329 PolarHBondContact OD1-N 2.9Å; N327-S330 WeakPolarHBondContact O-CA 3.46Å; N327-S330 WeakPolarHBondContact O-CB 3.48Å; N327-S330 PolarHBondContact O-N 3.23Å; N327-T331 PolarHBondContact O-N 2.95Å; N327-T331 VanDerWaalsContact O-N 3.14Å; N327-T331 PolarHBondContact O-OG1 3.21Å
328	I	39.1	Very low	37.3	Very low	91 Å²	91	69.6 Å²	69.6	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-49.2	-32.3	-176.1	-66.9	174.9	0	0	0	110.3	N326 T331 V332 G754	N326-I328 VanDerWaalsContact C-N 3.25Å; N326-I328 PolarHBondContact O-N 3.04Å; N326-I328 VanDerWaalsContact O-N 3.09Å; I328-T331 PolarHBondContact O-N 3.38Å; I328-V332 HydrophobicContact CG2-CG2 3.81Å; I328-V332 WeakPolarHBondContact O-CB 3.41Å; I328-V332 WeakPolarHBondContact O-CG2 3.24Å; I328-V332 PolarHBondContact O-N 3.37Å; I328-G754 VanDerWaalsContact CD1-CA 3.47Å
329	N	36.8	Very low	38.1	Very low	84 Å²	84	68.9 Å²	68.9	45%	0.449	34%	0.344	S	S	.	.	H	α-helix	trans	-66.2	-39.6	176.3	-64.8	-19.1	0	0	0	112.9	N327 H333	N327-N329 PolarHBondContact O-N 2.92Å; N327-N329 WeakPolarHBondContact OD1-CB 3.42Å; N327-N329 PolarHBondContact OD1-N 2.9Å; N329-H333 WeakPolarHBondContact O-CB 3.19Å; N329-H333 PolarHBondContact O-N 2.82Å
330	S	40.5	Very low	38.9	Very low	27 Å²	27	74.8 Å²	74.8	19%	0.189	36%	0.36	C	S	.	.	H	α-helix	trans	-71	-36.1	176.9	-172.6	0	0	0	0	111.9	N327 Y334	N327-S330 WeakPolarHBondContact O-CA 3.46Å; N327-S330 WeakPolarHBondContact O-CB 3.48Å; N327-S330 PolarHBondContact O-N 3.23Å; S330-Y334 WeakPolarHBondContact O-CB 3.38Å; S330-Y334 PolarHBondContact O-N 3.1Å
331	T	40.9	Very low	40.2	Very low	25 Å²	25	73.1 Å²	73.1	15%	0.153	35%	0.346	C	S	.	.	H	α-helix	trans	-75.6	-42.9	179.3	-40.5	0	0	0	0	111.9	N326 N327 I328 H333 Y334 I335	N326-T331 WeakPolarHBondContact CA-OG1 3.42Å; N326-T331 WeakPolarHBondContact CB-OG1 3.35Å; N326-T331 WeakPolarHBondContact OD1-CG2 3.37Å; N326-T331 PolarHBondContact OD1-OG1 3.13Å; N327-T331 PolarHBondContact O-N 2.95Å; N327-T331 VanDerWaalsContact O-N 3.14Å; N327-T331 PolarHBondContact O-OG1 3.21Å; I328-T331 PolarHBondContact O-N 3.38Å; T331-H333 VanDerWaalsContact C-N 3.31Å; T331-Y334 PolarHBondContact O-N 2.92Å; T331-I335 HydrophobicContact CG2-CD1 4.26Å; T331-I335 WeakPolarHBondContact O-CB 3.34Å; T331-I335 VanDerWaalsContact O-CG1 3.22Å; T331-I335 WeakPolarHBondContact O-CG1 3.49Å; T331-I335 PolarHBondContact O-N 2.86Å
332	V	42.8	Very low	40.8	Very low	54 Å²	54	72.4 Å²	72.4	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-38.6	172.9	172.8	0	0	0	0	110.1	I328 R336	I328-V332 HydrophobicContact CG2-CG2 3.81Å; I328-V332 WeakPolarHBondContact O-CB 3.41Å; I328-V332 WeakPolarHBondContact O-CG2 3.24Å; I328-V332 PolarHBondContact O-N 3.37Å; V332-R336 VanDerWaalsContact O-CB 3.32Å; V332-R336 WeakPolarHBondContact O-CB 3.45Å; V332-R336 VanDerWaalsContact O-CG 3.28Å; V332-R336 WeakPolarHBondContact O-CG 3.35Å; V332-R336 PolarHBondContact O-N 3.11Å
333	H	44.3	Very low	41.9	Very low	95 Å²	95	72.7 Å²	72.7	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-43.8	172.7	-169.7	82.3	0	0	0	111.4	N329 T331 I335 R336 T337	N329-H333 WeakPolarHBondContact O-CB 3.19Å; N329-H333 PolarHBondContact O-N 2.82Å; T331-H333 VanDerWaalsContact C-N 3.31Å; H333-I335 PolarHBondContact O-N 3.14Å; H333-R336 CarbonylContact O-C 3.5Å; H333-R336 PolarHBondContact O-N 3.17Å; H333-T337 PolarHBondContact CD2-OG1 3.4Å; H333-T337 PolarHBondContact NE2-OG1 3.26Å; H333-T337 VanDerWaalsContact O-CB 3.28Å; H333-T337 WeakPolarHBondContact O-CB 3.43Å; H333-T337 PolarHBondContact O-N 3.08Å; H333-T337 PolarHBondContact O-OG1 3.41Å
334	Y	46.6	Very low	43.2	Very low	49 Å²	49	70.7 Å²	70.7	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-57.7	-49.9	174.3	173.7	-102.8	0	0	0	111.2	S330 T331 R336 T337 C338 L886 S889 P894	S330-Y334 WeakPolarHBondContact O-CB 3.38Å; S330-Y334 PolarHBondContact O-N 3.1Å; T331-Y334 PolarHBondContact O-N 2.92Å; Y334-R336 VanDerWaalsContact C-N 3.33Å; Y334-R336 PolarHBondContact O-N 3.05Å; Y334-T337 PolarHBondContact O-N 3.46Å; Y334-C338 WeakPolarHBondContact CE2-SG 3.3Å; Y334-C338 VanDerWaalsContact CZ-SG 3.59Å; Y334-C338 WeakPolarHBondContact O-CB 3.44Å; Y334-C338 PolarHBondContact O-N 3.01Å; Y334-C338 PolarHBondContact O-SG 3.02Å; Y334-L886 HydrophobicContact CD2-CD1 3.92Å; Y334-S889 WeakPolarHBondContact CE2-OG 3.09Å; Y334-P894 PolarHBondContact OH-O 3.44Å
335	I	46.9	Very low	44.8	Very low	44 Å²	44	78.3 Å²	78.3	23%	0.226	39%	0.385	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176	-67.4	164.7	0	0	0	110.7	T331 H333 R339	T331-I335 HydrophobicContact CG2-CD1 4.26Å; T331-I335 WeakPolarHBondContact O-CB 3.34Å; T331-I335 VanDerWaalsContact O-CG1 3.22Å; T331-I335 WeakPolarHBondContact O-CG1 3.49Å; T331-I335 PolarHBondContact O-N 2.86Å; H333-I335 PolarHBondContact O-N 3.14Å; I335-R339 HydrophobicContact CG2-CG 4.47Å; I335-R339 VanDerWaalsContact O-CB 3.25Å; I335-R339 WeakPolarHBondContact O-CB 3.23Å; I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 3.34Å
336	R	45.7	Very low	46.4	Very low	159 Å²	159	81.9 Å²	81.9	60%	0.6	41%	0.407	S	S	*	.	H	α-helix	trans	-66.2	-39.4	176.9	-78.8	178.4	-177.5	161.6	2.4	112.9	V332 H333 Y334 R339 R340	V332-R336 VanDerWaalsContact O-CB 3.32Å; V332-R336 WeakPolarHBondContact O-CB 3.45Å; V332-R336 VanDerWaalsContact O-CG 3.28Å; V332-R336 WeakPolarHBondContact O-CG 3.35Å; V332-R336 PolarHBondContact O-N 3.11Å; H333-R336 CarbonylContact O-C 3.5Å; H333-R336 PolarHBondContact O-N 3.17Å; Y334-R336 VanDerWaalsContact C-N 3.33Å; Y334-R336 PolarHBondContact O-N 3.05Å; R336-R339 PolarHBondContact O-N 3.01Å; R336-R340 PolarHBondContact O-N 3.3Å
337	T	47.7	Very low	48.3	Very low	38 Å²	38	79.2 Å²	79.2	23%	0.233	39%	0.392	C	S	.	.	H	α-helix	trans	-70.4	-45.5	179.9	-63.6	0	0	0	0	109.9	H333 Y334 R339 R340 I341	H333-T337 PolarHBondContact CD2-OG1 3.4Å; H333-T337 PolarHBondContact NE2-OG1 3.26Å; H333-T337 VanDerWaalsContact O-CB 3.28Å; H333-T337 WeakPolarHBondContact O-CB 3.43Å; H333-T337 PolarHBondContact O-N 3.08Å; H333-T337 PolarHBondContact O-OG1 3.41Å; Y334-T337 PolarHBondContact O-N 3.46Å; T337-R339 VanDerWaalsContact C-N 3.3Å; T337-R339 PolarHBondContact O-N 2.9Å; T337-R340 PolarHBondContact O-N 2.85Å; T337-R340 VanDerWaalsContact O-N 3.11Å; T337-I341 HydrophobicContact CG2-CD1 4.37Å; T337-I341 WeakPolarHBondContact O-CG1 3.38Å
338	C	44.9	Very low	50.6	Low	38 Å²	38	79.3 Å²	79.3	26%	0.257	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-37.5	171.7	-66.5	0	0	0	0	112.1	Y334 R340 I341	Y334-C338 WeakPolarHBondContact CE2-SG 3.3Å; Y334-C338 VanDerWaalsContact CZ-SG 3.59Å; Y334-C338 WeakPolarHBondContact O-CB 3.44Å; Y334-C338 PolarHBondContact O-N 3.01Å; Y334-C338 PolarHBondContact O-SG 3.02Å; C338-R340 PolarHBondContact O-N 3.18Å; C338-I341 PolarHBondContact O-N 3.4Å
339	R	45.7	Very low	52.8	Low	124 Å²	124	77.9 Å²	77.9	47%	0.468	39%	0.389	S	S	.	.	H	α-helix	trans	-65.3	-19.3	175	-82.2	175.9	178.2	173.9	-0.7	114.6	V310 I335 R336 T337	V310-R339 HydrophobicContact CG1-CG 4.12Å; I335-R339 HydrophobicContact CG2-CG 4.47Å; I335-R339 VanDerWaalsContact O-CB 3.25Å; I335-R339 WeakPolarHBondContact O-CB 3.23Å; I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 3.34Å; R336-R339 PolarHBondContact O-N 3.01Å; T337-R339 VanDerWaalsContact C-N 3.3Å; T337-R339 PolarHBondContact O-N 2.9Å
340	R	45.3	Very low	55.1	Low	220 Å²	220	78.1 Å²	78.1	83%	0.83	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7	-179.8	-78.3	-177.6	177.3	175.7	-0.7	113.9	R336 T337 C338	R336-R340 PolarHBondContact O-N 3.3Å; T337-R340 PolarHBondContact O-N 2.85Å; T337-R340 VanDerWaalsContact O-N 3.11Å; C338-R340 PolarHBondContact O-N 3.18Å
341	I	50.1	Low	57.3	Low	51 Å²	51	78.5 Å²	78.5	26%	0.262	39%	0.389	S	S	.	.			trans	-91.8	114.8	-175.4	-67.2	168	0	0	0	108.6	T337 C338 S343 H347	T337-I341 HydrophobicContact CG2-CD1 4.37Å; T337-I341 WeakPolarHBondContact O-CG1 3.38Å; C338-I341 PolarHBondContact O-N 3.4Å; I341-S343 VanDerWaalsContact C-N 3.32Å; I341-S343 WeakPolarHBondContact CG2-O 3.45Å; I341-H347 HydrophobicContact CD1-CB 4.28Å; I341-H347 VanDerWaalsContact CD1-CD2 3.41Å; I341-H347 WeakPolarHBondContact CD1-CD2 3.19Å
342	S	41.3	Very low	59.3	Low	116 Å²	116	81.9 Å²	81.9	81%	0.811	41%	0.412	S	S	*	.	S	Bend	trans	-72.5	-21.4	-179.8	39.2	0	0	0	0	113.7
343	S	52.9	Low	61	Low	40 Å²	40	87.4 Å²	87.4	28%	0.28	43%	0.434	S	S	.	.			trans	-153.5	146.9	178.7	85.7	0	0	0	0	112.1	I341 E345 D346	I341-S343 VanDerWaalsContact C-N 3.32Å; I341-S343 WeakPolarHBondContact CG2-O 3.45Å; S343-E345 PolarHBondContact O-N 3.43Å; S343-D346 PolarHBondContact O-N 3.44Å; S343-D346 VanDerWaalsContact O-N 3.17Å; S343-D346 VanDerWaalsContact OG-CG 3.22Å; S343-D346 PolarHBondContact OG-N 3.02Å; S343-D346 PolarHBondContact OG-OD2 2.98Å
344	L	60.2	Low	62.5	Low	47 Å²	47	87.2 Å²	87.2	25%	0.246	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.4	176	-177	63.2	0	0	0	112.6	T302 D346 H347 P894	T302-L344 HydrophobicContact CG2-CD2 4Å; L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 2.8Å; L344-H347 PolarHBondContact O-N 3.38Å; L344-P894 HydrophobicContact CD1-CG 3.11Å
345	E	61	Low	64.1	Low	182 Å²	182	91.1 Å²	91.1	85%	0.85	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.5	-28	-179.1	-63	178.1	174.8	0	0	112.2	S343	S343-E345 PolarHBondContact O-N 3.43Å
346	D	67.8	Low	65.9	Low	107 Å²	107	92.2 Å²	92.2	57%	0.572	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-87.6	-2.5	-180	-61.5	-45.8	0	0	0	113.6	S343 L344 P348	S343-D346 PolarHBondContact O-N 3.44Å; S343-D346 VanDerWaalsContact O-N 3.17Å; S343-D346 VanDerWaalsContact OG-CG 3.22Å; S343-D346 PolarHBondContact OG-N 3.02Å; S343-D346 PolarHBondContact OG-OD2 2.98Å; L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 2.8Å; D346-P348 WeakPolarHBondContact O-CD 3.29Å
347	H	78.3	Confident	67.9	Low	8 Å²	8	87.8 Å²	87.8	4%	0.037	47%	0.471	C	S	.	.	S	Bend	trans	-71.2	121.4	-178.9	-173.5	-68.6	0	0	0	111.2	I341 L344 H890 R908	I341-H347 HydrophobicContact CD1-CB 4.28Å; I341-H347 VanDerWaalsContact CD1-CD2 3.41Å; I341-H347 WeakPolarHBondContact CD1-CD2 3.19Å; L344-H347 PolarHBondContact O-N 3.38Å; H347-H890 AromaticContact CE1-CE1 3.62Å; H347-H890 AromaticContact CE1-CG 3.86Å; H347-H890 AromaticContact CE1-ND1 3.26Å; H347-H890 PolarHBondContact CE1-ND1 3.28Å; H347-H890 VanDerWaalsContact CE1-ND1 3.26Å; H347-H890 AromaticContact ND1-ND1 3.79Å; H347-R908 PolarHBondContact O-NH2 2.83Å
348	P	84.5	Confident	69.9	Low	66 Å²	66	87 Å²	87	43%	0.429	47%	0.466	S	S	.	.			trans	-64.3	147.8	-174.9	23.4	-31.1	0	0	0	112.6	D346 H890 R908	D346-P348 WeakPolarHBondContact O-CD 3.29Å; P348-H890 PolarHBondContact O-ND1 3.14Å; P348-R908 PolarHBondContact O-NH1 3.04Å
349	I	83.8	Confident	72.1	Confident	62 Å²	62	85.7 Å²	85.7	32%	0.318	46%	0.456	S	S	.	.	S	Bend	trans	-85.5	-27.5	-177.7	-63.4	165.4	0	0	0	112.2	H890	I349-H890 CarbonylContact O-C 3.44Å
350	H	87	Confident	74.3	Confident	88 Å²	88	86 Å²	86	41%	0.407	46%	0.463	S	S	.	.	S	Bend	trans	-104.4	132.4	177	-61.5	-89.3	0	0	0	108.5	R487 Y610	H350-R487 PolarHBondContact CE1-NH2 3.11Å; H350-R487 PolarHBondContact ND1-NH2 2.89Å; H350-Y610 AromaticContact CE1-CE1 3.9Å
351	P	84.9	Confident	76.3	Confident	36 Å²	36	76.4 Å²	76.4	23%	0.234	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-61.2	151.9	168.2	28.5	-33.6	0	0	0	109.4	E353 I887 H890	P351-E353 PolarHBondContact O-N 3.05Å; P351-I887 HydrophobicContact CB-CG1 4.47Å; P351-H890 HydrophobicContact CB-CB 4.4Å
352	P	82.8	Confident	77.8	Confident	96 Å²	96	81.1 Å²	81.1	62%	0.623	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-61.2	137.1	173.7	26.7	-33.2	0	0	0	109.9
353	E	78.3	Confident	79.9	Confident	169 Å²	169	82.4 Å²	82.4	79%	0.79	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-64.5	137.4	173.9	-66.7	-179.2	-179.9	0	0	109.7	P351 T355	P351-E353 PolarHBondContact O-N 3.05Å; E353-T355 PolarHBondContact O-N 3.4Å
354	K	77.8	Confident	81.7	Confident	91 Å²	91	84.7 Å²	84.7	40%	0.396	45%	0.445	S	S	.	.			trans	-74	115.7	177.4	-166	171.8	-177.6	-179.2	0	109.1	P358 Y696	K354-P358 HydrophobicContact CD-CB 4.3Å; K354-P358 PolarHBondContact NZ-O 3.18Å; K354-Y696 PolarHBondContact NZ-OH 2.92Å
355	T	78.8	Confident	83.1	Confident	132 Å²	132	82.6 Å²	82.6	81%	0.81	43%	0.433	S	S	*	.			trans	-91	144.1	173.5	55.9	0	0	0	0	110.4	E353	E353-T355 PolarHBondContact O-N 3.4Å
356	G	85.6	Confident	84.5	Confident	66 Å²	66	79.5 Å²	79.5	68%	0.68	42%	0.419	S	S	*	.	S	Bend	trans	95.7	-163.2	179.7	0	0	0	0	0	114.4	P358	G356-P358 WeakPolarHBondContact O-CD 3.26Å
357	D	87.9	Confident	85.7	Confident	67 Å²	67	77 Å²	77	36%	0.358	41%	0.409	S	S	.	.			trans	-77.2	118	174.3	-172.1	-15.8	0	0	0	109.2	F359 E360	D357-F359 PolarHBondContact O-N 3.02Å; D357-F359 VanDerWaalsContact O-N 3.15Å; D357-F359 PolarHBondContact OD1-N 3.24Å; D357-E360 HydrophobicContact CB-CB 4.18Å; D357-E360 WeakPolarHBondContact O-CB 3.38Å; D357-E360 PolarHBondContact O-N 3.43Å; D357-E360 VanDerWaalsContact O-N 3.16Å
358	P	89.1	Confident	86.3	Confident	20 Å²	20	78.9 Å²	78.9	13%	0.13	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	178.7	26.4	-36.2	0	0	0	112.9	K354 G356 Y640 Y696	K354-P358 HydrophobicContact CD-CB 4.3Å; K354-P358 PolarHBondContact NZ-O 3.18Å; G356-P358 WeakPolarHBondContact O-CD 3.26Å; P358-Y640 HydrophobicContact CB-CD1 3.51Å; P358-Y640 HydrophobicContact CB-CD2 3.76Å; P358-Y640 HydrophobicContact CB-CE1 3.58Å; P358-Y640 HydrophobicContact CB-CE2 3.84Å; P358-Y640 HydrophobicContact CB-CG 3.58Å; P358-Y640 HydrophobicContact CG-CD1 3.5Å; P358-Y640 VanDerWaalsContact CG-CD1 3.5Å; P358-Y640 HydrophobicContact CG-CD2 4.17Å; P358-Y640 HydrophobicContact CG-CE1 4.08Å; P358-Y640 HydrophobicContact CG-CG 3.53Å; P358-Y696 PolarHBondContact O-OH 2.84Å
359	F	91.6	Very high	86.6	Confident	12 Å²	12	80 Å²	80	5%	0.053	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	1.5	-178.5	-58.5	-73.9	0	0	0	113.7	D357 I635 A692 Y696	D357-F359 PolarHBondContact O-N 3.02Å; D357-F359 VanDerWaalsContact O-N 3.15Å; D357-F359 PolarHBondContact OD1-N 3.24Å; F359-I635 HydrophobicContact CB-CD1 4.42Å; F359-I635 HydrophobicContact CB-CG1 4.17Å; F359-I635 HydrophobicContact CD1-CG1 3.95Å; F359-I635 HydrophobicContact CD2-CG1 4.17Å; F359-I635 HydrophobicContact CE1-CG1 4.37Å; F359-I635 HydrophobicContact CG-CG1 3.83Å; F359-A692 HydrophobicContact CB-CB 4.3Å; F359-A692 WeakPolarHBondContact O-CB 3.24Å; F359-Y696 HydrophobicContact CD1-CD2 4.15Å; F359-Y696 AromaticContact CD1-CE2 3.82Å; F359-Y696 HydrophobicContact CD1-CE2 3.82Å; F359-Y696 AromaticContact CE1-CD2 3.82Å; F359-Y696 HydrophobicContact CE1-CD2 3.82Å; F359-Y696 AromaticContact CE1-CE2 3.86Å; F359-Y696 HydrophobicContact CE1-CE2 3.86Å
360	E	90.5	Very high	87	Confident	129 Å²	129	77.9 Å²	77.9	60%	0.603	41%	0.411	S	S	*	.			trans	-67.8	135.2	173	-171.6	170	-166	0	0	110.8	D357	D357-E360 HydrophobicContact CB-CB 4.18Å; D357-E360 WeakPolarHBondContact O-CB 3.38Å; D357-E360 PolarHBondContact O-N 3.43Å; D357-E360 VanDerWaalsContact O-N 3.16Å
361	I	87.9	Confident	87.2	Confident	19 Å²	19	76.5 Å²	76.5	10%	0.097	41%	0.409	C	S	.	.			trans	-112.9	111.9	-173.8	-53.7	-61.5	0	0	0	109.6	Y363 W364 A692 Q695	I361-Y363 WeakPolarHBondContact CG2-O 3.35Å; I361-W364 HydrophobicContact CB-CD2 4.49Å; I361-W364 HydrophobicContact CB-CH2 4.44Å; I361-W364 HydrophobicContact CB-CZ2 3.65Å; I361-W364 HydrophobicContact CG1-CH2 4.13Å; I361-W364 HydrophobicContact CG1-CZ2 3.71Å; I361-W364 HydrophobicContact CG2-CD2 4.08Å; I361-W364 HydrophobicContact CG2-CG 4.37Å; I361-W364 HydrophobicContact CG2-CZ2 4.08Å; I361-W364 PolarHBondContact O-NE1 3.41Å; I361-A692 HydrophobicContact CD1-CB 3.7Å; I361-A692 HydrophobicContact CG1-CB 3.92Å; I361-Q695 VanDerWaalsContact CD1-CD 3.49Å; I361-Q695 HydrophobicContact CD1-CG 4.36Å
362	D	82.5	Confident	87.7	Confident	151 Å²	151	77.7 Å²	77.7	81%	0.807	41%	0.412	S	S	*	.	S	Bend	trans	-69.8	-32.3	-179.9	-60.1	-36.9	0	0	0	113.1
363	Y	84.7	Confident	88.3	Confident	142 Å²	142	77.6 Å²	77.6	56%	0.557	40%	0.404	S	S	*	.			trans	-131.7	120.6	-174.2	175.1	-109.1	0	0	0	110.7	I361 P365	I361-Y363 WeakPolarHBondContact CG2-O 3.35Å; Y363-P365 HydrophobicContact CD1-CG 4.03Å; Y363-P365 HydrophobicContact CE1-CB 4.04Å; Y363-P365 HydrophobicContact CE1-CG 3.64Å; Y363-P365 WeakPolarHBondContact O-CD 3.14Å
364	W	89.9	Confident	89.2	Confident	89 Å²	89	71.8 Å²	71.8	34%	0.337	38%	0.376	S	S	.	.			trans	-104.7	107.2	173.8	-70.5	90.3	0	0	0	109.4	I361 P684 P688 H691	I361-W364 HydrophobicContact CB-CD2 4.49Å; I361-W364 HydrophobicContact CB-CH2 4.44Å; I361-W364 HydrophobicContact CB-CZ2 3.65Å; I361-W364 HydrophobicContact CG1-CH2 4.13Å; I361-W364 HydrophobicContact CG1-CZ2 3.71Å; I361-W364 HydrophobicContact CG2-CD2 4.08Å; I361-W364 HydrophobicContact CG2-CG 4.37Å; I361-W364 HydrophobicContact CG2-CZ2 4.08Å; I361-W364 PolarHBondContact O-NE1 3.41Å; W364-P684 HydrophobicContact CE3-CB 3.84Å; W364-P684 HydrophobicContact CZ3-CB 4.03Å; W364-P688 HydrophobicContact CH2-CB 3.7Å; W364-P688 HydrophobicContact CZ3-CB 4.1Å; W364-H691 HydrophobicContact CZ3-CB 4.14Å; W364-H691 AromaticContact CZ3-CD2 3.77Å
365	P	89.4	Confident	90.1	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.013	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-59.7	139.1	174.7	-19.3	27.8	0	0	0	111.9	Y363 P684 L755	Y363-P365 HydrophobicContact CD1-CG 4.03Å; Y363-P365 HydrophobicContact CE1-CB 4.04Å; Y363-P365 HydrophobicContact CE1-CG 3.64Å; Y363-P365 WeakPolarHBondContact O-CD 3.14Å; P365-P684 HydrophobicContact CB-CG 4.21Å; P365-P684 HydrophobicContact CG-CG 4.15Å; P365-L755 HydrophobicContact CG-CD2 4.18Å
366	E	91.3	Very high	90.9	Very high	117 Å²	117	72.2 Å²	72.2	55%	0.547	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-68.8	149.3	176.9	-71.4	-54.4	140.4	0	0	112.3	K685 R753	E366-K685 IonicContact OE1-NZ 2.68Å; E366-K685 PolarHBondContact OE1-NZ 3.4Å; E366-K685 IonicContact OE2-NZ 3.56Å; E366-K685 PolarHBondContact OE2-NZ 3.47Å; E366-R753 PolarHBondContact O-NH2 2.95Å
367	P	92.5	Very high	91.4	Very high	56 Å²	56	69 Å²	69	36%	0.364	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-56.6	144.3	179.7	-23.6	34	0	0	0	113	V682 N683	P367-V682 WeakPolarHBondContact CA-O 3.18Å; P367-N683 HydrophobicContact CB-CB 4.24Å
368	L	91.9	Very high	91.9	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.241	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-94.2	136.5	171.5	-63.1	175.1	0	0	0	110.6	V370 V682 L749 R753	L368-V370 VanDerWaalsContact C-N 3.35Å; L368-V370 HydrophobicContact CB-CG1 4.2Å; L368-V370 HydrophobicContact CB-CG2 4.33Å; L368-V370 PolarHBondContact O-N 3.28Å; L368-V370 VanDerWaalsContact O-N 3.07Å; L368-V682 HydrophobicContact CB-CG1 4.24Å; L368-V682 PolarHBondContact N-O 3.36Å; L368-V682 VanDerWaalsContact N-O 3.07Å; L368-V682 WeakPolarHBondContact O-CG1 3.33Å; L368-L749 HydrophobicContact CD1-CD1 4.13Å; L368-R753 HydrophobicContact CD1-CG 4.03Å
369	D	90.3	Very high	92.2	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	31%	0.311	S	S	.	.			trans	-82.7	77.3	175.7	-63.7	-38.2	0	0	0	110.6	L384 K415	D369-L384 HydrophobicContact CB-CD1 4.23Å; D369-L384 PolarHBondContact O-N 3.47Å; D369-K415 IonicContact OD2-NZ 3.58Å; D369-K415 PolarHBondContact OD2-NZ 2.75Å
370	V	91.6	Very high	92.4	Very high	18 Å²	18	66.4 Å²	66.4	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	149.3	-178	-62.5	0	0	0	0	112.2	L368 M372 I381 E382 L418 V682	L368-V370 VanDerWaalsContact C-N 3.35Å; L368-V370 HydrophobicContact CB-CG1 4.2Å; L368-V370 HydrophobicContact CB-CG2 4.33Å; L368-V370 PolarHBondContact O-N 3.28Å; L368-V370 VanDerWaalsContact O-N 3.07Å; V370-M372 HydrophobicContact CG2-CG 4.31Å; V370-I381 HydrophobicContact CB-CG2 3.84Å; V370-I381 HydrophobicContact CG1-CG2 4.04Å; V370-I381 HydrophobicContact CG2-CG2 4.01Å; V370-E382 CarbonylContact C-O 3.57Å; V370-E382 VanDerWaalsContact CA-O 3.25Å; V370-E382 WeakPolarHBondContact CA-O 3.43Å; V370-E382 WeakPolarHBondContact CB-O 3.35Å; V370-L418 HydrophobicContact CG1-CD1 3.26Å; V370-L418 HydrophobicContact CG1-CD2 4.44Å; V370-L418 HydrophobicContact CG1-CG 4.49Å; V370-V682 HydrophobicContact CG2-CB 4.31Å; V370-V682 HydrophobicContact CG2-CG1 3.66Å; V370-V682 HydrophobicContact CG2-CG2 3.6Å
371	T	92.3	Very high	92.5	Very high	59 Å²	59	61.4 Å²	61.4	36%	0.362	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.7	165.6	49.8	0	0	0	0	109.7	I381 E382 L384	T371-I381 WeakPolarHBondContact O-CA 3.36Å; T371-E382 PolarHBondContact N-O 3.28Å; T371-E382 PolarHBondContact O-N 3.39Å; T371-E382 PolarHBondContact OG1-O 3.41Å; T371-L384 HydrophobicContact CG2-CD2 3.47Å; T371-L384 VanDerWaalsContact CG2-CD2 3.47Å; T371-L384 HydrophobicContact CG2-CG 3.92Å
372	M	94.4	Very high	92.6	Very high	61 Å²	61	64.5 Å²	64.5	30%	0.3	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.3	178.3	-63.2	-177.7	-63.2	0	0	108.8	V370 M379 H380 I381 F678 E679 V682	V370-M372 HydrophobicContact CG2-CG 4.31Å; M372-M379 HydrophobicContact CB-CE 4.45Å; M372-M379 HydrophobicContact CB-SD 3.77Å; M372-H380 WeakPolarHBondContact CA-O 3.47Å; M372-I381 HydrophobicContact CG-CG1 4.42Å; M372-F678 HydrophobicContact SD-CB 3.74Å; M372-E679 HydrophobicContact CE-CG 3.9Å; M372-V682 HydrophobicContact CE-CB 4.43Å; M372-V682 HydrophobicContact CE-CG2 4.34Å; M372-V682 HydrophobicContact CG-CG2 4.45Å; M372-V682 HydrophobicContact SD-CB 4.2Å; M372-V682 HydrophobicContact SD-CG2 3.5Å; M372-V682 WeakPolarHBondContact SD-CG2 3.46Å
373	E	95.9	Very high	92.6	Very high	94 Å²	94	60.2 Å²	60.2	44%	0.439	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.4	174.4	63.1	174.6	-160	0	0	112.5	R375 H380	E373-R375 HydrophobicContact CG-CG 4.3Å; E373-R375 IonicContact OE1-CZ 3.2Å; E373-R375 IonicContact OE1-NE 2.92Å; E373-R375 PolarHBondContact OE1-NE 3.36Å; E373-R375 IonicContact OE1-NH2 2.75Å; E373-R375 PolarHBondContact OE1-NH2 2.89Å; E373-H380 PolarHBondContact N-O 3.2Å; E373-H380 PolarHBondContact O-N 3.06Å
374	F	97	Very high	92.2	Very high	46 Å²	46	58.4 Å²	58.4	20%	0.202	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.9	170	-76	-77.8	0	0	0	109.9	I378 M379 Q667 I670 T671 F674 Q675 N742	F374-I378 WeakPolarHBondContact CA-O 3.36Å; F374-M379 HydrophobicContact CD1-CB 4.25Å; F374-M379 HydrophobicContact CD2-CE 3.93Å; F374-M379 HydrophobicContact CE1-CB 3.98Å; F374-M379 HydrophobicContact CE1-CE 4.13Å; F374-M379 HydrophobicContact CE2-CE 3.4Å; F374-M379 VanDerWaalsContact CE2-CE 3.4Å; F374-M379 HydrophobicContact CE2-SD 4.48Å; F374-M379 HydrophobicContact CG-CE 4.49Å; F374-M379 HydrophobicContact CZ-CB 4.49Å; F374-M379 HydrophobicContact CZ-CE 3.52Å; F374-Q667 VanDerWaalsContact CG-NE2 3.26Å; F374-I670 HydrophobicContact CD1-CG2 4.09Å; F374-I670 HydrophobicContact CE1-CG2 3.56Å; F374-I670 HydrophobicContact CZ-CG2 4.1Å; F374-T671 HydrophobicContact CE2-CG2 4.2Å; F374-F674 HydrophobicContact CZ-CB 4.13Å; F374-Q675 HydrophobicContact CE2-CB 4.08Å; F374-N742 WeakPolarHBondContact CE1-OD1 3.5Å
375	R	96.4	Very high	90.6	Very high	94 Å²	94	59 Å²	59	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.9	167.1	-53.6	178.3	175.9	154.2	2.9	107.8	E373 G377 I378 E382	E373-R375 HydrophobicContact CG-CG 4.3Å; E373-R375 IonicContact OE1-CZ 3.2Å; E373-R375 IonicContact OE1-NE 2.92Å; E373-R375 PolarHBondContact OE1-NE 3.36Å; E373-R375 IonicContact OE1-NH2 2.75Å; E373-R375 PolarHBondContact OE1-NH2 2.89Å; R375-G377 VanDerWaalsContact C-N 3.3Å; R375-G377 PolarHBondContact O-N 3.45Å; R375-I378 PolarHBondContact N-O 2.94Å; R375-I378 PolarHBondContact O-N 3.35Å; R375-I378 VanDerWaalsContact O-N 3.12Å; R375-E382 IonicContact CZ-OE1 3.81Å; R375-E382 IonicContact NH1-OE1 3.3Å; R375-E382 PolarHBondContact NH1-OE1 3.39Å; R375-E382 VanDerWaalsContact NH2-CD 3.33Å; R375-E382 IonicContact NH2-OE1 3.83Å; R375-E382 PolarHBondContact NH2-OE1 3.34Å; R375-E382 IonicContact NH2-OE2 3.23Å; R375-E382 PolarHBondContact NH2-OE2 2.7Å
376	K	95.4	Very high	88.4	Confident	138 Å²	138	66.6 Å²	66.6	60%	0.6	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	43.6	178.3	-60.2	-179.4	177	-174.5	0	113.8	T720 D722 Y738	K376-T720 HydrophobicContact CB-CG2 3.98Å; K376-T720 HydrophobicContact CD-CG2 4.32Å; K376-T720 HydrophobicContact CG-CG2 4.32Å; K376-D722 WeakPolarHBondContact CA-OD1 3.43Å; K376-Y738 WeakPolarHBondContact O-CE1 3.26Å
377	G	96.7	Very high	85.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-1.8	179.3	0	0	0	0	0	117.1	R375 I670 N742	R375-G377 VanDerWaalsContact C-N 3.3Å; R375-G377 PolarHBondContact O-N 3.45Å; G377-I670 WeakPolarHBondContact O-CG2 3.24Å; G377-N742 PolarHBondContact O-ND2 3.1Å
378	I	97.6	Very high	82.9	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.051	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130	-178	-53	173.8	0	0	0	109.8	F374 R375 H380 I423 F737 Y738 A741 Q745	F374-I378 WeakPolarHBondContact CA-O 3.36Å; R375-I378 PolarHBondContact N-O 2.94Å; R375-I378 PolarHBondContact O-N 3.35Å; R375-I378 VanDerWaalsContact O-N 3.12Å; I378-H380 PolarHBondContact O-N 3.36Å; I378-H380 PolarHBondContact O-ND1 3Å; I378-I423 HydrophobicContact CG2-CG2 4.24Å; I378-F737 HydrophobicContact CD1-CE1 4.35Å; I378-Y738 HydrophobicContact CG1-CD1 4.31Å; I378-Y738 HydrophobicContact CG1-CE1 4.44Å; I378-A741 HydrophobicContact CD1-CB 3.87Å; I378-A741 HydrophobicContact CG1-CB 3.9Å; I378-A741 HydrophobicContact CG2-CB 4.3Å; I378-Q745 HydrophobicContact CG2-CG 4.06Å
379	M	97	Very high	80.3	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.02	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	128.1	175.4	-174.7	63.7	80.9	0	0	110.9	M372 F374 I381 F678 N742	M372-M379 HydrophobicContact CB-CE 4.45Å; M372-M379 HydrophobicContact CB-SD 3.77Å; F374-M379 HydrophobicContact CD1-CB 4.25Å; F374-M379 HydrophobicContact CD2-CE 3.93Å; F374-M379 HydrophobicContact CE1-CB 3.98Å; F374-M379 HydrophobicContact CE1-CE 4.13Å; F374-M379 HydrophobicContact CE2-CE 3.4Å; F374-M379 VanDerWaalsContact CE2-CE 3.4Å; F374-M379 HydrophobicContact CE2-SD 4.48Å; F374-M379 HydrophobicContact CG-CE 4.49Å; F374-M379 HydrophobicContact CZ-CB 4.49Å; F374-M379 HydrophobicContact CZ-CE 3.52Å; M379-I381 HydrophobicContact CG-CG1 4.34Å; M379-F678 HydrophobicContact CB-CD2 4.01Å; M379-F678 HydrophobicContact CB-CE1 4.15Å; M379-F678 HydrophobicContact CB-CE2 3.48Å; M379-F678 VanDerWaalsContact CB-CE2 3.48Å; M379-F678 HydrophobicContact CB-CZ 3.56Å; M379-F678 HydrophobicContact CE-CB 4.14Å; M379-F678 HydrophobicContact CE-CD2 3.71Å; M379-F678 HydrophobicContact CE-CE2 4.37Å; M379-F678 HydrophobicContact CE-CG 4.03Å; M379-F678 HydrophobicContact CG-CD1 3.89Å; M379-F678 HydrophobicContact CG-CD2 3.77Å; M379-F678 HydrophobicContact CG-CE1 3.82Å; M379-F678 HydrophobicContact CG-CE2 3.71Å; M379-F678 HydrophobicContact CG-CG 3.87Å; M379-F678 HydrophobicContact CG-CZ 3.73Å; M379-N742 PolarHBondContact N-OD1 3.36Å
380	H	95.3	Very high	77.7	Confident	29 Å²	29	80.4 Å²	80.4	13%	0.134	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.2	170.7	-67.6	61.4	0	0	0	108.9	M372 E373 I378 I423	M372-H380 WeakPolarHBondContact CA-O 3.47Å; E373-H380 PolarHBondContact N-O 3.2Å; E373-H380 PolarHBondContact O-N 3.06Å; I378-H380 PolarHBondContact O-N 3.36Å; I378-H380 PolarHBondContact O-ND1 3Å; H380-I423 VanDerWaalsContact CD2-CD1 3.45Å; H380-I423 WeakPolarHBondContact CD2-CD1 3.29Å
381	I	92.9	Very high	74.8	Confident	25 Å²	25	83.9 Å²	83.9	13%	0.128	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.8	-179.4	-56.3	157.4	0	0	0	107.3	V370 T371 M372 M379 F421 F678 L749	V370-I381 HydrophobicContact CB-CG2 3.84Å; V370-I381 HydrophobicContact CG1-CG2 4.04Å; V370-I381 HydrophobicContact CG2-CG2 4.01Å; T371-I381 WeakPolarHBondContact O-CA 3.36Å; M372-I381 HydrophobicContact CG-CG1 4.42Å; M379-I381 HydrophobicContact CG-CG1 4.34Å; I381-F421 HydrophobicContact CB-CE2 4.43Å; I381-F421 HydrophobicContact CD1-CD2 4.14Å; I381-F421 HydrophobicContact CD1-CE2 3.92Å; I381-F678 HydrophobicContact CD1-CD1 4.02Å; I381-F678 HydrophobicContact CD1-CE1 3.86Å; I381-L749 HydrophobicContact CD1-CB 3.94Å; I381-L749 HydrophobicContact CD1-CD1 4.27Å; I381-L749 HydrophobicContact CD1-CD2 3.76Å; I381-L749 HydrophobicContact CD1-CG 4.18Å
382	E	88.7	Confident	72	Confident	84 Å²	84	90 Å²	90	39%	0.393	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	145.2	-179.6	-66.5	175.8	175.6	0	0	109.7	V370 T371 R375	V370-E382 CarbonylContact C-O 3.57Å; V370-E382 VanDerWaalsContact CA-O 3.25Å; V370-E382 WeakPolarHBondContact CA-O 3.43Å; V370-E382 WeakPolarHBondContact CB-O 3.35Å; T371-E382 PolarHBondContact N-O 3.28Å; T371-E382 PolarHBondContact O-N 3.39Å; T371-E382 PolarHBondContact OG1-O 3.41Å; R375-E382 IonicContact CZ-OE1 3.81Å; R375-E382 IonicContact NH1-OE1 3.3Å; R375-E382 PolarHBondContact NH1-OE1 3.39Å; R375-E382 VanDerWaalsContact NH2-CD 3.33Å; R375-E382 IonicContact NH2-OE1 3.83Å; R375-E382 PolarHBondContact NH2-OE1 3.34Å; R375-E382 IonicContact NH2-OE2 3.23Å; R375-E382 PolarHBondContact NH2-OE2 2.7Å
383	T	82.7	Confident	69.1	Low	60 Å²	60	93.1 Å²	93.1	37%	0.368	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139	173.8	37.5	0	0	0	0	110.2	S385 L418	T383-S385 VanDerWaalsContact C-N 3.29Å; T383-S385 PolarHBondContact O-N 3.44Å; T383-L418 HydrophobicContact CG2-CB 4.05Å; T383-L418 HydrophobicContact CG2-CD1 3.41Å; T383-L418 VanDerWaalsContact CG2-CD1 3.41Å; T383-L418 HydrophobicContact CG2-CG 4.35Å
384	L	76.7	Confident	66.1	Low	105 Å²	105	96.1 Å²	96.1	55%	0.55	50%	0.503	S	S	.	.			trans	-68.4	89.6	168.4	-76.8	161.8	0	0	0	108.6	D369 T371 D386	D369-L384 HydrophobicContact CB-CD1 4.23Å; D369-L384 PolarHBondContact O-N 3.47Å; T371-L384 HydrophobicContact CG2-CD2 3.47Å; T371-L384 VanDerWaalsContact CG2-CD2 3.47Å; T371-L384 HydrophobicContact CG2-CG 3.92Å; L384-D386 PolarHBondContact O-N 2.92Å
385	S	55.7	Low	63.2	Low	101 Å²	101	101.2 Å²	101.2	71%	0.706	53%	0.531	S	S	*	.			trans	-67.5	123	171.7	55	0	0	0	0	109.2	T383 S387	T383-S385 VanDerWaalsContact C-N 3.29Å; T383-S385 PolarHBondContact O-N 3.44Å; S385-S387 PolarHBondContact O-N 3.15Å; S385-S387 VanDerWaalsContact O-N 3.07Å
386	D	44.9	Very low	60.5	Low	162 Å²	162	102.8 Å²	102.8	87%	0.866	55%	0.546	S	S	*	.			trans	-49.1	118.2	169.3	-78.8	-29.4	0	0	0	109.1	L384	L384-D386 PolarHBondContact O-N 2.92Å
387	S	32.3	Very low	57.8	Low	80 Å²	80	103.7 Å²	103.7	56%	0.559	56%	0.557	S	S	*	*			trans	-5.7	136.7	173.5	53.4	0	0	0	0	117.9	S385 D389	S385-S387 PolarHBondContact O-N 3.15Å; S385-S387 VanDerWaalsContact O-N 3.07Å; S387-D389 PolarHBondContact O-N 3Å
388	P	35.8	Very low	54.9	Low	119 Å²	119	106.7 Å²	106.7	77%	0.773	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-63.8	2.8	177.4	-17.5	30	0	0	0	117	R390	P388-R390 VanDerWaalsContact C-N 3.32Å; P388-R390 PolarHBondContact O-N 2.92Å
389	D	37.4	Very low	52	Low	151 Å²	151	112.4 Å²	112.4	81%	0.807	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-83.1	11.3	-169.1	-90.2	-14.5	0	0	0	115.9	S387	S387-D389 PolarHBondContact O-N 3Å
390	R	35	Very low	49	Very low	248 Å²	248	117.1 Å²	117.1	94%	0.936	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-92.3	8.5	174.2	-75.8	-160.5	-175.5	-168.1	5.6	115.8	P388	P388-R390 VanDerWaalsContact C-N 3.32Å; P388-R390 PolarHBondContact O-N 2.92Å
391	S	31.5	Very low	46.2	Very low	91 Å²	91	124 Å²	124	64%	0.636	69%	0.689	S	S	*	*	S	Bend	trans	-111.1	80.5	169.7	60	0	0	0	0	110.1
392	H	32.1	Very low	43.7	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.866	72%	0.719	S	S	*	*	S	Bend	trans	168.4	44.8	155.8	-90.3	-57.6	0	0	0	114.2
393	V	33.8	Very low	41.2	Very low	127 Å²	127	133.9 Å²	133.9	77%	0.77	74%	0.74	S	S	*	*			trans	-146.7	84.4	164.9	-171	0	0	0	0	111.1
394	N	33.3	Very low	39.1	Very low	157 Å²	157	138.7 Å²	138.7	84%	0.84	76%	0.757	S	S	*	*				171.6	102.6	122.5	-88.5	-26.2	0	0	0	110.5
395	L	35.5	Very low	37.2	Very low	153 Å²	153	141 Å²	141	80%	0.801	77%	0.77	S	S	*	*			trans	-67.2	142.8	161.3	-91	123.5	0	0	0	110.5
396	I	39.8	Very low	36.4	Very low	127 Å²	127	145.2 Å²	145.2	65%	0.651	78%	0.779	S	S	*	*			trans	83.6	111.1	139.1	-62.9	165.4	0	0	0	118.4
397	N	38.4	Very low	35.9	Very low	157 Å²	157	144.6 Å²	144.6	84%	0.84	78%	0.781	S	S	*	*			trans	62.7	127.7	142	-61.1	-9.7	0	0	0	121.7
398	G	35.6	Very low	36.2	Very low	63 Å²	63	146.7 Å²	146.7	65%	0.649	79%	0.79	S	S	*	*				115	93.7	124.1	0	0	0	0	0	117.4
399	T	37	Very low	36.2	Very low	131 Å²	131	148.9 Å²	148.9	80%	0.804	80%	0.795	S	S	*	*			trans	47.1	114.6	133.2	55.9	0	0	0	0	120.7
400	S	34.1	Very low	36.1	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	79%	0.794	S	S	*	*				87.1	126.3	124.8	-61.6	0	0	0	0	121.4
401	E	37.9	Very low	36.2	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.804	79%	0.791	S	S	*	*			trans	93	104.9	139.5	-73.7	172.1	-159.7	0	0	121.2
402	H	38.5	Very low	36.2	Very low	163 Å²	163	148.4 Å²	148.4	76%	0.755	80%	0.803	S	S	*	*			trans	43.6	112.5	130.4	-68.6	-40.3	0	0	0	120.2
403	N	37.6	Very low	36.3	Very low	155 Å²	155	145.6 Å²	145.6	83%	0.829	80%	0.801	S	S	*	*				178.4	150.2	96.2	-93.5	-38.7	0	0	0	113.7
404	H	38	Very low	36.2	Very low	161 Å²	161	148.3 Å²	148.3	75%	0.745	81%	0.808	S	S	*	*			trans	-64.9	142.1	-173.8	-71.7	-88	0	0	0	116.2
405	N	36.9	Very low	36.7	Very low	153 Å²	153	148.8 Å²	148.8	82%	0.818	80%	0.802	S	S	*	*				149.8	93.1	120.1	-82.2	-22.8	0	0	0	110.7
406	E	38	Very low	37.6	Very low	190 Å²	190	151 Å²	151	89%	0.888	81%	0.805	S	S	*	*			trans	-151.5	121.8	155.3	-110.1	168.8	-157.7	0	0	108.5	V408	E406-V408 PolarHBondContact O-N 3.49Å
407	T	34.9	Very low	38.8	Very low	149 Å²	149	151.1 Å²	151.1	91%	0.914	81%	0.807	S	S	*	*			trans	-65.3	120.2	-179.4	39.1	0	0	0	0	110.7
408	V	38.3	Very low	40.6	Very low	124 Å²	124	145.4 Å²	145.4	75%	0.752	78%	0.777	S	S	*	*			trans	-109.5	123	172.1	179.8	0	0	0	0	108.1	E406 V410	E406-V408 PolarHBondContact O-N 3.49Å; V408-V410 PolarHBondContact O-N 3.3Å
409	D	35.7	Very low	42.9	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	77%	0.766	S	S	*	*			trans	-54.6	122.1	175.4	-81.1	-43.5	0	0	0	111.3
410	V	36.6	Very low	45.2	Very low	130 Å²	130	148.5 Å²	148.5	79%	0.788	77%	0.771	S	S	*	*			trans	-107.2	81.1	174.1	-172	0	0	0	0	107.2	V408	V408-V410 PolarHBondContact O-N 3.3Å
411	D	36.9	Very low	47.9	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	74%	0.741	S	S	*	*			trans	-166.2	66.3	168.1	-95.6	-23.4	0	0	0	111
412	Q	31.6	Very low	50.4	Low	189 Å²	189	141.5 Å²	141.5	88%	0.883	73%	0.729	S	S	*	*			trans	-130.8	119.6	158.6	-78.8	-170.7	8.3	0	0	110.1	M414	Q412-M414 PolarHBondContact O-N 3.4Å
413	P	34.8	Very low	53.1	Low	127 Å²	127	137.2 Å²	137.2	83%	0.825	71%	0.711	S	S	*	*			trans	-68.5	125	176.4	27.5	-30.4	0	0	0	109.2	K415	P413-K415 PolarHBondContact O-N 2.92Å
414	M	30.9	Very low	55.7	Low	185 Å²	185	130.4 Å²	130.4	91%	0.911	68%	0.675	S	S	*	*			trans	-51.7	124.5	173.9	-67.7	-173.1	78.1	0	0	110.2	Q412 K416	Q412-M414 PolarHBondContact O-N 3.4Å; M414-K416 PolarHBondContact O-N 3.13Å; M414-K416 VanDerWaalsContact O-N 3.1Å
415	K	44.2	Very low	58.4	Low	166 Å²	166	125.5 Å²	125.5	72%	0.722	66%	0.659	S	S	*	*			trans	-55.8	114.8	169.8	-78.8	-176.8	-179.4	-178.9	0	108	D369 P413 D417	D369-K415 IonicContact OD2-NZ 3.58Å; D369-K415 PolarHBondContact OD2-NZ 2.75Å; P413-K415 PolarHBondContact O-N 2.92Å; K415-D417 PolarHBondContact O-N 3.29Å
416	K	53.2	Low	61.1	Low	199 Å²	199	120 Å²	120	87%	0.865	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-75	117.5	176.9	-135.7	178	-175.2	-179.2	0	107.5	M414	M414-K416 PolarHBondContact O-N 3.13Å; M414-K416 VanDerWaalsContact O-N 3.1Å
417	D	65.6	Low	63.8	Low	131 Å²	131	117 Å²	117	70%	0.701	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-54.3	144.5	176.3	-64.6	-44.7	0	0	0	111	K415	K415-D417 PolarHBondContact O-N 3.29Å
418	L	77.5	Confident	66.7	Low	37 Å²	37	112.5 Å²	112.5	19%	0.194	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-65.1	139.8	173.4	-81.7	107.8	0	0	0	110	V370 T383 F421 L749	V370-L418 HydrophobicContact CG1-CD1 3.26Å; V370-L418 HydrophobicContact CG1-CD2 4.44Å; V370-L418 HydrophobicContact CG1-CG 4.49Å; T383-L418 HydrophobicContact CG2-CB 4.05Å; T383-L418 HydrophobicContact CG2-CD1 3.41Å; T383-L418 VanDerWaalsContact CG2-CD1 3.41Å; T383-L418 HydrophobicContact CG2-CG 4.35Å; L418-F421 HydrophobicContact CD2-CE2 3.95Å; L418-F421 HydrophobicContact CD2-CZ 3.81Å; L418-L749 HydrophobicContact CD2-CD1 4Å
419	P	83.7	Confident	69.6	Low	66 Å²	66	106.7 Å²	106.7	43%	0.429	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-66.4	151	172.4	30	-34.5	0	0	0	110.4	F421 H752	P419-F421 HydrophobicContact CG-CD1 4.32Å; P419-F421 HydrophobicContact CG-CE1 3.78Å; P419-F421 PolarHBondContact O-N 3.49Å; P419-H752 VanDerWaalsContact CD-CE1 3.5Å; P419-H752 WeakPolarHBondContact CD-CE1 3.41Å
420	E	85	Confident	72.5	Confident	192 Å²	192	99.8 Å²	99.8	90%	0.897	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-66	116.2	172	-171.2	177.4	-178.3	0	0	109.8
421	F	89.6	Confident	75.4	Confident	24 Å²	24	96.8 Å²	96.8	11%	0.105	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-80.9	141.2	179.6	-62.1	-41.3	0	0	0	111.6	I381 L418 P419 I423 Q748 L749 H752	I381-F421 HydrophobicContact CB-CE2 4.43Å; I381-F421 HydrophobicContact CD1-CD2 4.14Å; I381-F421 HydrophobicContact CD1-CE2 3.92Å; L418-F421 HydrophobicContact CD2-CE2 3.95Å; L418-F421 HydrophobicContact CD2-CZ 3.81Å; P419-F421 HydrophobicContact CG-CD1 4.32Å; P419-F421 HydrophobicContact CG-CE1 3.78Å; P419-F421 PolarHBondContact O-N 3.49Å; F421-I423 PolarHBondContact O-N 2.88Å; F421-Q748 HydrophobicContact CB-CB 4.45Å; F421-Q748 HydrophobicContact CD1-CB 3.66Å; F421-Q748 HydrophobicContact CD1-CG 4.5Å; F421-Q748 HydrophobicContact CE1-CB 4Å; F421-Q748 HydrophobicContact CG-CB 4.05Å; F421-L749 HydrophobicContact CE2-CB 4.21Å; F421-L749 HydrophobicContact CE2-CD1 4.2Å; F421-L749 HydrophobicContact CZ-CB 4.29Å; F421-L749 HydrophobicContact CZ-CD1 4.22Å; F421-H752 HydrophobicContact CE1-CB 4.47Å; F421-H752 HydrophobicContact CZ-CB 4.48Å
422	I	91.7	Very high	78.3	Confident	105 Å²	105	89.9 Å²	89.9	54%	0.538	46%	0.462	S	S	.	.			trans	-74.7	111.8	178.9	-58.8	172.5	0	0	0	109	Q745 Q748	I422-Q745 PolarHBondContact O-NE2 2.96Å; I422-Q748 PolarHBondContact O-NE2 3.3Å
423	I	93.7	Very high	81.4	Confident	73 Å²	73	81.9 Å²	81.9	37%	0.374	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-92	123.4	178.5	-62.9	155.9	0	0	0	110.2	I378 H380 F421 S425	I378-I423 HydrophobicContact CG2-CG2 4.24Å; H380-I423 VanDerWaalsContact CD2-CD1 3.45Å; H380-I423 WeakPolarHBondContact CD2-CD1 3.29Å; F421-I423 PolarHBondContact O-N 2.88Å; I423-S425 PolarHBondContact O-N 3.4Å
424	P	93.3	Very high	84.4	Confident	12 Å²	12	79.6 Å²	79.6	8%	0.078	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-64	129.7	176.4	-27.2	39.2	0	0	0	112.8	F737 F740 A741	P424-F737 HydrophobicContact CB-CZ 4.4Å; P424-F740 HydrophobicContact CB-CE1 4.22Å; P424-F740 HydrophobicContact CG-CD1 4.39Å; P424-F740 HydrophobicContact CG-CE1 3.89Å; P424-A741 HydrophobicContact CB-CB 4.27Å; P424-A741 HydrophobicContact CG-CB 4.23Å
425	S	93.8	Very high	87.6	Confident	58 Å²	58	72 Å²	72	41%	0.406	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-96.8	130	178.4	170.6	0	0	0	0	111.8	I423 Q427 T428 F429	I423-S425 PolarHBondContact O-N 3.4Å; S425-Q427 VanDerWaalsContact C-N 3.31Å; S425-Q427 PolarHBondContact O-N 2.95Å; S425-Q427 PolarHBondContact OG-N 3.08Å; S425-T428 PolarHBondContact O-N 3.49Å; S425-F429 WeakPolarHBondContact O-CB 3.49Å; S425-F429 PolarHBondContact O-N 3.1Å
426	L	94.4	Very high	90.2	Very high	38 Å²	38	64.1 Å²	64.1	20%	0.199	34%	0.335	C	S	.	.	H	α-helix	trans	-57.2	-43.1	173.7	-98.3	85.7	0	0	0	112.1	T428 F429 F430 F714 F737 Y738	L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 3.29Å; L426-F429 WeakPolarHBondContact O-CB 3.44Å; L426-F429 PolarHBondContact O-N 3.44Å; L426-F430 HydrophobicContact CB-CD2 4.46Å; L426-F430 HydrophobicContact CB-CE2 3.98Å; L426-F430 HydrophobicContact CD2-CE2 3.86Å; L426-F430 HydrophobicContact CD2-CZ 3.84Å; L426-F430 HydrophobicContact CG-CE2 4.25Å; L426-F430 HydrophobicContact CG-CZ 4.34Å; L426-F430 WeakPolarHBondContact O-CD2 3.45Å; L426-F430 WeakPolarHBondContact O-CG 3.49Å; L426-F430 PolarHBondContact O-N 3.18Å; L426-F714 HydrophobicContact CD2-CE2 4.11Å; L426-F714 HydrophobicContact CD2-CZ 3.95Å; L426-F714 HydrophobicContact CG-CZ 4.4Å; L426-F737 HydrophobicContact CD1-CD1 4.04Å; L426-F737 HydrophobicContact CD1-CE1 3.16Å; L426-F737 HydrophobicContact CD1-CZ 3.53Å; L426-F737 HydrophobicContact CG-CD1 4.35Å; L426-F737 HydrophobicContact CG-CE1 3.77Å; L426-F737 HydrophobicContact CG-CZ 3.94Å; L426-Y738 HydrophobicContact CD1-CE1 4.14Å
427	Q	95.2	Very high	92.2	Very high	125 Å²	125	60.2 Å²	60.2	58%	0.584	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-42.8	-176	-176.4	60.1	30.5	0	0	111.3	S425 F430 S431	S425-Q427 VanDerWaalsContact C-N 3.31Å; S425-Q427 PolarHBondContact O-N 2.95Å; S425-Q427 PolarHBondContact OG-N 3.08Å; Q427-F430 PolarHBondContact O-N 3.36Å; Q427-S431 PolarHBondContact O-N 3.41Å; Q427-S431 VanDerWaalsContact O-N 3.17Å
428	T	96	Very high	93.8	Very high	56 Å²	56	58.5 Å²	58.5	34%	0.344	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-43.5	175.3	-57.5	0	0	0	0	110.7	S425 L426 F430 S431 D432	S425-T428 PolarHBondContact O-N 3.49Å; L426-T428 VanDerWaalsContact C-N 3.32Å; L426-T428 PolarHBondContact O-N 3.29Å; T428-F430 PolarHBondContact O-N 3.31Å; T428-S431 PolarHBondContact O-N 2.81Å; T428-D432 WeakPolarHBondContact O-CB 3.43Å; T428-D432 PolarHBondContact O-N 2.44Å
429	F	97.5	Very high	94.7	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.009	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-46.3	175.8	169.8	-104	0	0	0	112.5	Y263 S425 L426 S431 D432 F433 F714 F737 T775 L778 L779	Y263-F429 VanDerWaalsContact OH-CA 3.31Å; Y263-F429 WeakPolarHBondContact OH-CA 3.16Å; Y263-F429 PolarHBondContact OH-N 2.98Å; S425-F429 WeakPolarHBondContact O-CB 3.49Å; S425-F429 PolarHBondContact O-N 3.1Å; L426-F429 WeakPolarHBondContact O-CB 3.44Å; L426-F429 PolarHBondContact O-N 3.44Å; F429-S431 PolarHBondContact O-N 2.99Å; F429-D432 PolarHBondContact O-N 3.19Å; F429-F433 HydrophobicContact CE2-CB 4.43Å; F429-F433 HydrophobicContact CZ-CB 4.35Å; F429-F433 HydrophobicContact CZ-CD2 4.14Å; F429-F433 HydrophobicContact CZ-CG 4.47Å; F429-F433 WeakPolarHBondContact O-CB 3.3Å; F429-F433 PolarHBondContact O-N 2.97Å; F429-F714 HydrophobicContact CD1-CE1 4.35Å; F429-F714 HydrophobicContact CE1-CD1 4.15Å; F429-F714 AromaticContact CE1-CE1 3.86Å; F429-F714 HydrophobicContact CE1-CE1 3.86Å; F429-F737 HydrophobicContact CB-CD2 3.92Å; F429-F737 HydrophobicContact CB-CE2 3.59Å; F429-F737 AromaticContact CD1-CD2 3.6Å; F429-F737 HydrophobicContact CD1-CD2 3.6Å; F429-F737 HydrophobicContact CD1-CE2 4.09Å; F429-F737 HydrophobicContact CD1-CG 4.27Å; F429-F737 AromaticContact CD2-CD2 3.84Å; F429-F737 HydrophobicContact CD2-CD2 3.84Å; F429-F737 HydrophobicContact CD2-CE2 4.3Å; F429-F737 HydrophobicContact CE1-CB 4.36Å; F429-F737 HydrophobicContact CE1-CD2 4.06Å; F429-F737 HydrophobicContact CE1-CG 4.44Å; F429-F737 HydrophobicContact CE2-CD2 4.27Å; F429-F737 AromaticContact CG-CD2 3.48Å; F429-F737 HydrophobicContact CG-CD2 3.48Å; F429-F737 VanDerWaalsContact CG-CD2 3.48Å; F429-F737 AromaticContact CG-CE2 3.72Å; F429-F737 HydrophobicContact CG-CE2 3.72Å; F429-F737 HydrophobicContact CZ-CD2 4.37Å; F429-T775 HydrophobicContact CE2-CG2 4.47Å; F429-T775 HydrophobicContact CZ-CG2 4.16Å; F429-L778 HydrophobicContact CE2-CD1 4.39Å; F429-L779 HydrophobicContact CD2-CD1 4.28Å; F429-L779 HydrophobicContact CD2-CD2 4.3Å; F429-L779 HydrophobicContact CE2-CD1 3.73Å; F429-L779 HydrophobicContact CE2-CD2 4.34Å; F429-L779 HydrophobicContact CE2-CG 4.17Å; F429-L779 HydrophobicContact CZ-CD1 4.36Å
430	F	97.3	Very high	95.4	Very high	19 Å²	19	56.6 Å²	56.6	8%	0.083	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-44.2	178.5	-65.6	-44.1	0	0	0	112.5	L426 Q427 T428 D432 F433 D434 F714 N715 A716	L426-F430 HydrophobicContact CB-CD2 4.46Å; L426-F430 HydrophobicContact CB-CE2 3.98Å; L426-F430 HydrophobicContact CD2-CE2 3.86Å; L426-F430 HydrophobicContact CD2-CZ 3.84Å; L426-F430 HydrophobicContact CG-CE2 4.25Å; L426-F430 HydrophobicContact CG-CZ 4.34Å; L426-F430 WeakPolarHBondContact O-CD2 3.45Å; L426-F430 WeakPolarHBondContact O-CG 3.49Å; L426-F430 PolarHBondContact O-N 3.18Å; Q427-F430 PolarHBondContact O-N 3.36Å; T428-F430 PolarHBondContact O-N 3.31Å; F430-D432 PolarHBondContact O-N 3.48Å; F430-F433 PolarHBondContact O-N 3.16Å; F430-D434 WeakPolarHBondContact O-CB 3.38Å; F430-D434 PolarHBondContact O-N 3Å; F430-F714 AromaticContact CE1-CD1 3.81Å; F430-F714 HydrophobicContact CE1-CD1 3.81Å; F430-F714 HydrophobicContact CE1-CD2 4.04Å; F430-F714 AromaticContact CE1-CE1 3.81Å; F430-F714 HydrophobicContact CE1-CE1 3.81Å; F430-F714 HydrophobicContact CE1-CE2 4.05Å; F430-F714 AromaticContact CE1-CG 3.93Å; F430-F714 HydrophobicContact CE1-CG 3.93Å; F430-F714 AromaticContact CE1-CZ 3.94Å; F430-F714 HydrophobicContact CE1-CZ 3.94Å; F430-F714 HydrophobicContact CZ-CD1 4.4Å; F430-F714 AromaticContact CZ-CD2 3.94Å; F430-F714 HydrophobicContact CZ-CD2 3.94Å; F430-F714 HydrophobicContact CZ-CE1 4.14Å; F430-F714 AromaticContact CZ-CE2 3.66Å; F430-F714 HydrophobicContact CZ-CE2 3.66Å; F430-F714 HydrophobicContact CZ-CG 4.31Å; F430-F714 AromaticContact CZ-CZ 3.77Å; F430-F714 HydrophobicContact CZ-CZ 3.77Å; F430-N715 VanDerWaalsContact CE2-C 3.43Å; F430-N715 WeakPolarHBondContact CZ-O 3.31Å; F430-A716 HydrophobicContact CD2-CB 4.28Å; F430-A716 HydrophobicContact CE2-CB 4.18Å; F430-A716 VanDerWaalsContact CE2-N 3.34Å
431	S	97.5	Very high	95.9	Very high	67 Å²	67	50.6 Å²	50.6	47%	0.469	29%	0.285	S	S	.	.	H	α-helix	trans	-61	-44.5	176.2	179.6	0	0	0	0	112.3	Q427 T428 F429 T435	Q427-S431 PolarHBondContact O-N 3.41Å; Q427-S431 VanDerWaalsContact O-N 3.17Å; T428-S431 PolarHBondContact O-N 2.81Å; F429-S431 PolarHBondContact O-N 2.99Å; S431-T435 WeakPolarHBondContact O-CB 3.36Å; S431-T435 PolarHBondContact O-N 3.15Å; S431-T435 PolarHBondContact O-OG1 3.05Å
432	D	98	Very high	96.2	Very high	16 Å²	16	52.6 Å²	52.6	9%	0.086	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-41.5	179.8	-66.7	-16.9	0	0	0	110.7	L259 K262 Y263 T428 F429 F430 T435 I436 L778	L259-D432 HydrophobicContact CD1-CB 4.2Å; L259-D432 HydrophobicContact CD2-CB 4.16Å; L259-D432 WeakPolarHBondContact CD2-OD1 3.19Å; K262-D432 IonicContact NZ-OD2 3.82Å; K262-D432 PolarHBondContact NZ-OD2 3.2Å; Y263-D432 HydrophobicContact CE2-CB 4.1Å; Y263-D432 WeakPolarHBondContact CE2-OD2 3.22Å; Y263-D432 PolarHBondContact OH-OD2 2.98Å; T428-D432 WeakPolarHBondContact O-CB 3.43Å; T428-D432 PolarHBondContact O-N 2.44Å; F429-D432 PolarHBondContact O-N 3.19Å; F430-D432 PolarHBondContact O-N 3.48Å; D432-T435 WeakPolarHBondContact O-CB 3.3Å; D432-T435 PolarHBondContact O-N 3.45Å; D432-I436 WeakPolarHBondContact O-CG1 3.12Å; D432-I436 PolarHBondContact O-N 2.99Å; D432-I436 VanDerWaalsContact O-N 3.07Å; D432-L778 HydrophobicContact CB-CD1 4.42Å
433	F	97.3	Very high	96.5	Very high	22 Å²	22	49.5 Å²	49.5	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-48.4	175.8	177.4	-91.4	0	0	0	112.1	F429 F430 T435 I436 R437 N771 V774 T775 L778	F429-F433 HydrophobicContact CE2-CB 4.43Å; F429-F433 HydrophobicContact CZ-CB 4.35Å; F429-F433 HydrophobicContact CZ-CD2 4.14Å; F429-F433 HydrophobicContact CZ-CG 4.47Å; F429-F433 WeakPolarHBondContact O-CB 3.3Å; F429-F433 PolarHBondContact O-N 2.97Å; F430-F433 PolarHBondContact O-N 3.16Å; F433-T435 VanDerWaalsContact C-N 3.26Å; F433-T435 PolarHBondContact O-N 3.17Å; F433-I436 PolarHBondContact O-N 3.05Å; F433-R437 VanDerWaalsContact O-CB 3.32Å; F433-R437 WeakPolarHBondContact O-CB 3.38Å; F433-R437 PolarHBondContact O-N 3.47Å; F433-N771 HydrophobicContact CZ-CB 4.1Å; F433-V774 HydrophobicContact CD2-CB 4.5Å; F433-V774 HydrophobicContact CD2-CG1 3.72Å; F433-V774 HydrophobicContact CE2-CB 3.99Å; F433-V774 HydrophobicContact CE2-CG1 3.65Å; F433-V774 HydrophobicContact CG-CG1 4.48Å; F433-V774 HydrophobicContact CZ-CG1 4.38Å; F433-T775 WeakPolarHBondContact CE2-OG1 3.47Å; F433-L778 HydrophobicContact CB-CD1 4.38Å
434	D	97.2	Very high	96.6	Very high	78 Å²	78	50.1 Å²	50.1	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-32.6	177.8	-79.7	-26.8	0	0	0	111.8	F430 R437 T438	F430-D434 WeakPolarHBondContact O-CB 3.38Å; F430-D434 PolarHBondContact O-N 3Å; D434-R437 IonicContact OD1-NH1 3.14Å; D434-T438 WeakPolarHBondContact O-CB 3.29Å; D434-T438 PolarHBondContact O-N 2.86Å; D434-T438 PolarHBondContact O-OG1 3.13Å
435	T	98	Very high	96.7	Very high	26 Å²	26	49.8 Å²	49.8	16%	0.16	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-53.6	172.2	-62.5	0	0	0	0	111	K255 L259 S431 D432 F433 R437 T438 F439	K255-T435 HydrophobicContact CD-CG2 4.36Å; L259-T435 HydrophobicContact CD1-CG2 4.19Å; S431-T435 WeakPolarHBondContact O-CB 3.36Å; S431-T435 PolarHBondContact O-N 3.15Å; S431-T435 PolarHBondContact O-OG1 3.05Å; D432-T435 WeakPolarHBondContact O-CB 3.3Å; D432-T435 PolarHBondContact O-N 3.45Å; F433-T435 VanDerWaalsContact C-N 3.26Å; F433-T435 PolarHBondContact O-N 3.17Å; T435-R437 VanDerWaalsContact C-N 3.34Å; T435-R437 PolarHBondContact O-N 3.31Å; T435-T438 WeakPolarHBondContact O-CB 3.4Å; T435-T438 PolarHBondContact O-N 3.05Å; T435-F439 HydrophobicContact CG2-CD2 4.31Å; T435-F439 HydrophobicContact CG2-CE1 4.27Å; T435-F439 HydrophobicContact CG2-CE2 3.61Å; T435-F439 HydrophobicContact CG2-CZ 3.6Å; T435-F439 WeakPolarHBondContact O-CG 3.43Å; T435-F439 PolarHBondContact O-N 2.99Å; T435-F439 VanDerWaalsContact O-N 3.1Å
436	I	97.9	Very high	96.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-43.2	179.1	-57.6	-58.5	0	0	0	110.7	A256 L259 D432 F433 T438 F439 V440 V774 F777 L778 L795	A256-I436 HydrophobicContact CB-CD1 3.46Å; A256-I436 VanDerWaalsContact CB-CD1 3.46Å; L259-I436 HydrophobicContact CD1-CD1 3.9Å; L259-I436 HydrophobicContact CD1-CG1 4.32Å; D432-I436 WeakPolarHBondContact O-CG1 3.12Å; D432-I436 PolarHBondContact O-N 2.99Å; D432-I436 VanDerWaalsContact O-N 3.07Å; F433-I436 PolarHBondContact O-N 3.05Å; I436-T438 VanDerWaalsContact C-N 3.27Å; I436-T438 PolarHBondContact O-N 3.03Å; I436-F439 HydrophobicContact CD1-CD2 4.35Å; I436-F439 WeakPolarHBondContact O-CB 3.48Å; I436-F439 PolarHBondContact O-N 2.69Å; I436-F439 VanDerWaalsContact O-N 3.11Å; I436-V440 HydrophobicContact CG2-CG2 4.29Å; I436-V440 WeakPolarHBondContact O-CG2 3.2Å; I436-V440 PolarHBondContact O-N 3.44Å; I436-V774 HydrophobicContact CB-CG1 3.8Å; I436-V774 HydrophobicContact CG2-CB 4.49Å; I436-V774 HydrophobicContact CG2-CG1 3.65Å; I436-V774 HydrophobicContact CG2-CG2 4.44Å; I436-F777 HydrophobicContact CD1-CD1 4.4Å; I436-F777 HydrophobicContact CD1-CE1 4.09Å; I436-F777 HydrophobicContact CG1-CD1 4.47Å; I436-F777 HydrophobicContact CG2-CD1 4.38Å; I436-L778 HydrophobicContact CG1-CD1 4.33Å; I436-L778 HydrophobicContact CG1-CD2 3.98Å; I436-L778 HydrophobicContact CG1-CG 4.31Å; I436-L795 HydrophobicContact CG2-CD2 4.36Å
437	R	96.9	Very high	97	Very high	118 Å²	118	53.6 Å²	53.6	45%	0.445	31%	0.314	S	S	.	.	H	α-helix	trans	-58.4	-40.1	177.3	-179.2	-178.3	165.1	-164.3	-2.3	111.9	F433 D434 T435 V440 G441	F433-R437 VanDerWaalsContact O-CB 3.32Å; F433-R437 WeakPolarHBondContact O-CB 3.38Å; F433-R437 PolarHBondContact O-N 3.47Å; D434-R437 IonicContact OD1-NH1 3.14Å; T435-R437 VanDerWaalsContact C-N 3.34Å; T435-R437 PolarHBondContact O-N 3.31Å; R437-V440 PolarHBondContact O-N 2.71Å; R437-G441 PolarHBondContact O-N 2.94Å
438	T	97.8	Very high	97	Very high	95 Å²	95	48 Å²	48	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-62.8	-43.9	175.4	-59.2	0	0	0	0	111	D434 T435 I436 V440 G441 D442	D434-T438 WeakPolarHBondContact O-CB 3.29Å; D434-T438 PolarHBondContact O-N 2.86Å; D434-T438 PolarHBondContact O-OG1 3.13Å; T435-T438 WeakPolarHBondContact O-CB 3.4Å; T435-T438 PolarHBondContact O-N 3.05Å; I436-T438 VanDerWaalsContact C-N 3.27Å; I436-T438 PolarHBondContact O-N 3.03Å; T438-V440 PolarHBondContact O-N 3.36Å; T438-G441 CarbonylContact O-C 3.58Å; T438-G441 PolarHBondContact O-N 2.91Å; T438-D442 PolarHBondContact O-N 2.71Å
439	F	97.7	Very high	97.1	Very high	36 Å²	36	45.4 Å²	45.4	16%	0.158	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-41.1	175.3	-61.9	-21.1	0	0	0	112.8	A252 K255 A256 T435 I436 G441 D442 L445	A252-F439 HydrophobicContact CB-CD1 3.93Å; A252-F439 HydrophobicContact CB-CD2 4.23Å; A252-F439 HydrophobicContact CB-CE1 3.8Å; A252-F439 HydrophobicContact CB-CE2 4.1Å; A252-F439 HydrophobicContact CB-CG 4.14Å; A252-F439 HydrophobicContact CB-CZ 3.88Å; A252-F439 WeakPolarHBondContact O-CE2 3.06Å; K255-F439 HydrophobicContact CB-CE2 4.35Å; K255-F439 HydrophobicContact CD-CE2 4.46Å; K255-F439 HydrophobicContact CD-CZ 4.09Å; K255-F439 HydrophobicContact CG-CE2 4.47Å; A256-F439 HydrophobicContact CB-CD2 4.3Å; A256-F439 HydrophobicContact CB-CE2 4.48Å; T435-F439 HydrophobicContact CG2-CD2 4.31Å; T435-F439 HydrophobicContact CG2-CE1 4.27Å; T435-F439 HydrophobicContact CG2-CE2 3.61Å; T435-F439 HydrophobicContact CG2-CZ 3.6Å; T435-F439 WeakPolarHBondContact O-CG 3.43Å; T435-F439 PolarHBondContact O-N 2.99Å; T435-F439 VanDerWaalsContact O-N 3.1Å; I436-F439 HydrophobicContact CD1-CD2 4.35Å; I436-F439 WeakPolarHBondContact O-CB 3.48Å; I436-F439 PolarHBondContact O-N 2.69Å; I436-F439 VanDerWaalsContact O-N 3.11Å; F439-G441 VanDerWaalsContact C-N 3.25Å; F439-G441 PolarHBondContact O-N 3.26Å; F439-D442 WeakPolarHBondContact O-CB 3.26Å; F439-D442 PolarHBondContact O-N 2.8Å; F439-L445 HydrophobicContact CB-CD2 3.78Å; F439-L445 HydrophobicContact CG-CD2 4.34Å
440	V	97.3	Very high	97.1	Very high	26 Å²	26	52.2 Å²	52.2	16%	0.158	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-31.4	177.2	176.8	0	0	0	0	112	I436 R437 T438 I770 V774 A792 V794 L795	I436-V440 HydrophobicContact CG2-CG2 4.29Å; I436-V440 WeakPolarHBondContact O-CG2 3.2Å; I436-V440 PolarHBondContact O-N 3.44Å; R437-V440 PolarHBondContact O-N 2.71Å; T438-V440 PolarHBondContact O-N 3.36Å; V440-I770 HydrophobicContact CG1-CG2 4.43Å; V440-V774 HydrophobicContact CG2-CG2 4.23Å; V440-A792 HydrophobicContact CG1-CB 4.43Å; V440-V794 HydrophobicContact CG2-CB 4.43Å; V440-V794 HydrophobicContact CG2-CG1 4.45Å; V440-L795 HydrophobicContact CG1-CD1 4.31Å; V440-L795 HydrophobicContact CG1-CG 4.32Å; V440-L795 HydrophobicContact CG2-CD1 4.12Å; V440-L795 HydrophobicContact CG2-CD2 3.63Å; V440-L795 HydrophobicContact CG2-CG 3.55Å
441	G	96.1	Very high	97	Very high	67 Å²	67	58 Å²	58	69%	0.691	32%	0.32	S	S	*	.	H	α-helix	trans	-80.7	-13	175.3	0	0	0	0	0	114.8	R437 T438 F439 G443	R437-G441 PolarHBondContact O-N 2.94Å; T438-G441 CarbonylContact O-C 3.58Å; T438-G441 PolarHBondContact O-N 2.91Å; F439-G441 VanDerWaalsContact C-N 3.25Å; F439-G441 PolarHBondContact O-N 3.26Å; G441-G443 PolarHBondContact O-N 3.41Å
442	D	96.7	Very high	97	Very high	66 Å²	66	56 Å²	56	35%	0.353	30%	0.302	S	S	.	.			trans	-73.6	122	-175.6	-177	61.3	0	0	0	112.2	T438 F439 L445 K446	T438-D442 PolarHBondContact O-N 2.71Å; F439-D442 WeakPolarHBondContact O-CB 3.26Å; F439-D442 PolarHBondContact O-N 2.8Å; D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 WeakPolarHBondContact OD2-CB 3.38Å; D442-L445 PolarHBondContact OD2-N 3.05Å; D442-K446 WeakPolarHBondContact O-CB 3.44Å; D442-K446 PolarHBondContact O-N 3.23Å
443	G	96.2	Very high	97	Very high	40 Å²	40	55.4 Å²	55.4	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-65.9	-50.6	-174.4	0	0	0	0	0	114.1	G441 K446 S447	G441-G443 PolarHBondContact O-N 3.41Å; G443-K446 PolarHBondContact O-N 3.42Å; G443-S447 PolarHBondContact O-N 3.34Å; G443-S447 PolarHBondContact O-OG 2.98Å
444	P	95.9	Very high	97	Very high	85 Å²	85	57.1 Å²	57.1	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-57.3	-51.4	173.8	-27.7	36.4	0	0	0	113.1	K446 S447 F448	P444-K446 VanDerWaalsContact C-N 3.31Å; P444-K446 PolarHBondContact O-N 3.04Å; P444-S447 WeakPolarHBondContact O-CB 3.38Å; P444-S447 PolarHBondContact O-N 3.45Å; P444-F448 PolarHBondContact O-N 3.3Å
445	L	96.7	Very high	97	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-61	-40.1	179.1	178	57.1	0	0	0	112	A249 A252 L253 F439 D442 S447 F448 C449 V794	A249-L445 HydrophobicContact CB-CD1 3.74Å; A252-L445 HydrophobicContact CB-CD2 3.85Å; L253-L445 HydrophobicContact CD1-CD1 4.14Å; L253-L445 HydrophobicContact CD2-CD1 4.27Å; L253-L445 HydrophobicContact CG-CD1 3.98Å; F439-L445 HydrophobicContact CB-CD2 3.78Å; F439-L445 HydrophobicContact CG-CD2 4.34Å; D442-L445 HydrophobicContact CB-CB 4.02Å; D442-L445 WeakPolarHBondContact OD2-CB 3.38Å; D442-L445 PolarHBondContact OD2-N 3.05Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.46Å; L445-F448 HydrophobicContact CD1-CD1 4.43Å; L445-F448 PolarHBondContact O-N 3.45Å; L445-C449 WeakPolarHBondContact O-CB 3.24Å; L445-C449 PolarHBondContact O-N 3.44Å; L445-C449 PolarHBondContact O-SG 2.8Å; L445-V794 HydrophobicContact CD2-CG1 3.94Å; L445-V794 HydrophobicContact CD2-CG2 4.4Å; L445-V794 HydrophobicContact CG-CG1 4.16Å; L445-V794 HydrophobicContact CG-CG2 3.93Å
446	K	97.1	Very high	97	Very high	99 Å²	99	54.6 Å²	54.6	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-42.3	173.6	179.4	179.3	176.2	179.8	0	112	D442 G443 P444 Y450 P793 V794	D442-K446 WeakPolarHBondContact O-CB 3.44Å; D442-K446 PolarHBondContact O-N 3.23Å; G443-K446 PolarHBondContact O-N 3.42Å; P444-K446 VanDerWaalsContact C-N 3.31Å; P444-K446 PolarHBondContact O-N 3.04Å; K446-Y450 VanDerWaalsContact O-CB 3.28Å; K446-Y450 WeakPolarHBondContact O-CB 3.27Å; K446-Y450 PolarHBondContact O-N 3.03Å; K446-P793 HydrophobicContact CG-CB 4.3Å; K446-P793 HydrophobicContact CG-CG 3.96Å; K446-V794 HydrophobicContact CB-CG2 4.13Å
447	S	96.2	Very high	97	Very high	77 Å²	77	55.8 Å²	55.8	54%	0.538	30%	0.303	S	S	.	.	H	α-helix	trans	-67.9	-42.1	178.8	-58.1	0	0	0	0	111.7	G443 P444 L445 R451	G443-S447 PolarHBondContact O-N 3.34Å; G443-S447 PolarHBondContact O-OG 2.98Å; P444-S447 WeakPolarHBondContact O-CB 3.38Å; P444-S447 PolarHBondContact O-N 3.45Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.46Å; S447-R451 WeakPolarHBondContact O-CB 3.14Å; S447-R451 PolarHBondContact O-N 3.35Å
448	F	96.2	Very high	97	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-57.9	-54.8	172.8	173.7	-94.7	0	0	0	111.4	V241 L246 A249 L253 P444 L445 Y450 R451 R452 Y797 L930	V241-F448 HydrophobicContact CG1-CD2 4.19Å; V241-F448 HydrophobicContact CG2-CD2 3.97Å; V241-F448 HydrophobicContact CG2-CE2 3.95Å; L246-F448 HydrophobicContact CD1-CE2 3.63Å; L246-F448 HydrophobicContact CD1-CZ 3.63Å; A249-F448 HydrophobicContact CB-CB 4.27Å; A249-F448 HydrophobicContact CB-CD1 3.62Å; A249-F448 HydrophobicContact CB-CD2 4.22Å; A249-F448 HydrophobicContact CB-CE1 3.97Å; A249-F448 HydrophobicContact CB-CG 3.76Å; A249-F448 HydrophobicContact CB-CZ 4.4Å; L253-F448 HydrophobicContact CD1-CD1 4.25Å; L253-F448 HydrophobicContact CD1-CE1 3.84Å; P444-F448 PolarHBondContact O-N 3.3Å; L445-F448 HydrophobicContact CD1-CD1 4.43Å; L445-F448 PolarHBondContact O-N 3.45Å; F448-Y450 VanDerWaalsContact C-N 3.33Å; F448-Y450 PolarHBondContact O-N 3.38Å; F448-R451 WeakPolarHBondContact O-CB 3.24Å; F448-R451 PolarHBondContact O-N 3.39Å; F448-R451 VanDerWaalsContact O-N 3.08Å; F448-R452 HydrophobicContact CD1-CG 4.22Å; F448-R452 HydrophobicContact CE1-CG 3.73Å; F448-R452 HydrophobicContact CE2-CG 4.21Å; F448-R452 HydrophobicContact CZ-CG 3.73Å; F448-R452 PolarHBondContact O-N 2.97Å; F448-Y797 HydrophobicContact CE1-CE1 4.5Å; F448-L930 HydrophobicContact CE1-CD2 4.27Å; F448-L930 HydrophobicContact CZ-CD2 4.31Å
449	C	97.7	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-42	-178.7	-66.2	0	0	0	0	111.5	L445 R451 R452 L453 P793 V794 Y797	L445-C449 WeakPolarHBondContact O-CB 3.24Å; L445-C449 PolarHBondContact O-N 3.44Å; L445-C449 PolarHBondContact O-SG 2.8Å; C449-R451 VanDerWaalsContact C-N 3.31Å; C449-R451 PolarHBondContact O-N 3.03Å; C449-R452 PolarHBondContact O-N 2.87Å; C449-L453 WeakPolarHBondContact O-CB 3.42Å; C449-L453 WeakPolarHBondContact O-CD1 3.04Å; C449-L453 WeakPolarHBondContact O-CG 3.35Å; C449-L453 PolarHBondContact O-N 3.07Å; C449-P793 HydrophobicContact CB-CB 4.26Å; C449-V794 HydrophobicContact CB-CG2 4.39Å; C449-Y797 HydrophobicContact CB-CG 4.35Å
450	Y	97.4	Very high	97	Very high	146 Å²	146	48.6 Å²	48.6	57%	0.573	28%	0.275	S	S	*	.	H	α-helix	trans	-61	-39.8	175.6	-175.7	-95.3	0	0	0	112.2	K446 F448 L453 T454 P793	K446-Y450 VanDerWaalsContact O-CB 3.28Å; K446-Y450 WeakPolarHBondContact O-CB 3.27Å; K446-Y450 PolarHBondContact O-N 3.03Å; F448-Y450 VanDerWaalsContact C-N 3.33Å; F448-Y450 PolarHBondContact O-N 3.38Å; Y450-L453 PolarHBondContact O-N 3.24Å; Y450-T454 WeakPolarHBondContact O-CB 3.4Å; Y450-T454 PolarHBondContact O-N 2.82Å; Y450-T454 PolarHBondContact O-OG1 3.49Å; Y450-P793 HydrophobicContact CD2-CB 4.48Å; Y450-P793 HydrophobicContact CD2-CG 4.06Å
451	R	96.2	Very high	97	Very high	140 Å²	140	53.3 Å²	53.3	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-45.5	174.6	-171.8	180	-63.5	-128	-3.5	111.3	G240 S447 F448 C449 T454 Y455	G240-R451 PolarHBondContact O-NH1 2.76Å; S447-R451 WeakPolarHBondContact O-CB 3.14Å; S447-R451 PolarHBondContact O-N 3.35Å; F448-R451 WeakPolarHBondContact O-CB 3.24Å; F448-R451 PolarHBondContact O-N 3.39Å; F448-R451 VanDerWaalsContact O-N 3.08Å; C449-R451 VanDerWaalsContact C-N 3.31Å; C449-R451 PolarHBondContact O-N 3.03Å; R451-T454 WeakPolarHBondContact O-CB 3.35Å; R451-T454 PolarHBondContact O-N 2.8Å; R451-Y455 PolarHBondContact O-N 2.69Å
452	R	96.9	Very high	97.1	Very high	25 Å²	25	53.4 Å²	53.4	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-43.9	175.2	-60.8	-47	-59.8	174.5	-0.1	112	F448 C449 T454 Y455 L456 Y797 E926	F448-R452 HydrophobicContact CD1-CG 4.22Å; F448-R452 HydrophobicContact CE1-CG 3.73Å; F448-R452 HydrophobicContact CE2-CG 4.21Å; F448-R452 HydrophobicContact CZ-CG 3.73Å; F448-R452 PolarHBondContact O-N 2.97Å; C449-R452 PolarHBondContact O-N 2.87Å; R452-T454 VanDerWaalsContact C-N 3.31Å; R452-T454 PolarHBondContact O-N 2.8Å; R452-Y455 WeakPolarHBondContact O-CB 3.31Å; R452-Y455 PolarHBondContact O-N 3.17Å; R452-Y455 VanDerWaalsContact O-N 3.16Å; R452-L456 WeakPolarHBondContact O-CG 3.47Å; R452-L456 PolarHBondContact O-N 3.27Å; R452-Y797 HydrophobicContact CB-CD2 3.99Å; R452-Y797 HydrophobicContact CB-CE2 3.52Å; R452-Y797 HydrophobicContact CG-CE2 4.14Å; R452-E926 IonicContact CZ-OE1 3.96Å; R452-E926 IonicContact CZ-OE2 2.92Å; R452-E926 IonicContact NE-OE1 3.74Å; R452-E926 PolarHBondContact NE-OE1 3.25Å; R452-E926 IonicContact NE-OE2 2.81Å; R452-E926 PolarHBondContact NE-OE2 2.96Å; R452-E926 IonicContact NH2-OE1 3.06Å; R452-E926 PolarHBondContact NH2-OE1 2.94Å; R452-E926 IonicContact NH2-OE2 3.71Å
453	L	98.1	Very high	97.2	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-36.3	176.6	-69.2	164.5	0	0	0	112.7	C449 Y450 L456 A457 P793 Q796 Y797 R831	C449-L453 WeakPolarHBondContact O-CB 3.42Å; C449-L453 WeakPolarHBondContact O-CD1 3.04Å; C449-L453 WeakPolarHBondContact O-CG 3.35Å; C449-L453 PolarHBondContact O-N 3.07Å; Y450-L453 PolarHBondContact O-N 3.24Å; L453-L456 HydrophobicContact CD2-CD1 4.45Å; L453-A457 PolarHBondContact O-N 3.21Å; L453-P793 HydrophobicContact CD1-CB 4.03Å; L453-P793 WeakPolarHBondContact CD1-O 3.32Å; L453-Q796 HydrophobicContact CD1-CB 4.01Å; L453-Q796 HydrophobicContact CD1-CG 4.08Å; L453-Q796 VanDerWaalsContact CD1-OE1 3.27Å; L453-Q796 HydrophobicContact CD2-CB 4.48Å; L453-Q796 HydrophobicContact CD2-CG 3.84Å; L453-Y797 HydrophobicContact CD2-CD2 4.15Å; L453-Y797 HydrophobicContact CG-CD2 4.27Å; L453-R831 PolarHBondContact O-NE 3.25Å
454	T	97.3	Very high	97.2	Very high	59 Å²	59	49.6 Å²	49.6	36%	0.362	25%	0.251	S	S	.	.	H	α-helix	trans	-66.6	-45	173.1	-55.9	0	0	0	0	110.5	Y450 R451 R452 L456 A457 S458	Y450-T454 WeakPolarHBondContact O-CB 3.4Å; Y450-T454 PolarHBondContact O-N 2.82Å; Y450-T454 PolarHBondContact O-OG1 3.49Å; R451-T454 WeakPolarHBondContact O-CB 3.35Å; R451-T454 PolarHBondContact O-N 2.8Å; R452-T454 VanDerWaalsContact C-N 3.31Å; R452-T454 PolarHBondContact O-N 2.8Å; T454-L456 PolarHBondContact O-N 3.14Å; T454-A457 PolarHBondContact O-N 3.12Å; T454-S458 PolarHBondContact O-N 2.79Å; T454-S458 PolarHBondContact O-OG 2.99Å
455	Y	96.6	Very high	97.3	Very high	49 Å²	49	52 Å²	52	19%	0.192	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-48.1	174.2	163	-103.1	0	0	0	112	I233 R451 R452 A457 S458 K459 E926	I233-Y455 HydrophobicContact CD1-CD2 4.21Å; I233-Y455 HydrophobicContact CD1-CE2 3.5Å; R451-Y455 PolarHBondContact O-N 2.69Å; R452-Y455 WeakPolarHBondContact O-CB 3.31Å; R452-Y455 PolarHBondContact O-N 3.17Å; R452-Y455 VanDerWaalsContact O-N 3.16Å; Y455-A457 VanDerWaalsContact C-N 3.34Å; Y455-A457 PolarHBondContact O-N 3.34Å; Y455-S458 PolarHBondContact O-N 3.35Å; Y455-K459 HydrophobicContact CE1-CD 4.18Å; Y455-K459 HydrophobicContact CE2-CB 4.36Å; Y455-K459 HydrophobicContact CE2-CD 4.44Å; Y455-K459 VanDerWaalsContact O-CB 3.29Å; Y455-K459 WeakPolarHBondContact O-CB 3.4Å; Y455-K459 PolarHBondContact O-N 2.78Å; Y455-K459 WeakPolarHBondContact OH-CD 3.46Å; Y455-K459 WeakPolarHBondContact OH-CE 3.38Å; Y455-E926 WeakPolarHBondContact CD1-OE1 3.49Å; Y455-E926 VanDerWaalsContact CE1-OE1 3.24Å; Y455-E926 WeakPolarHBondContact CE1-OE1 3.34Å
456	L	98.1	Very high	97.4	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-45.5	178.6	-69.6	171.8	0	0	0	111.8	R452 L453 T454 K459 F460 Y797 Y800 R831 T922 E926	R452-L456 WeakPolarHBondContact O-CG 3.47Å; R452-L456 PolarHBondContact O-N 3.27Å; L453-L456 HydrophobicContact CD2-CD1 4.45Å; T454-L456 PolarHBondContact O-N 3.14Å; L456-K459 PolarHBondContact O-N 3.11Å; L456-F460 PolarHBondContact O-N 3.35Å; L456-Y797 HydrophobicContact CD1-CD2 4.5Å; L456-Y797 HydrophobicContact CD1-CE2 4.34Å; L456-Y800 HydrophobicContact CD1-CD1 3.68Å; L456-Y800 HydrophobicContact CD1-CE1 3.52Å; L456-Y800 HydrophobicContact CD1-CE2 4.38Å; L456-Y800 HydrophobicContact CD1-CG 4.2Å; L456-Y800 HydrophobicContact CD2-CE1 4.17Å; L456-R831 HydrophobicContact CB-CB 4.2Å; L456-R831 HydrophobicContact CB-CG 4.22Å; L456-T922 HydrophobicContact CD2-CG2 3.38Å; L456-E926 HydrophobicContact CD2-CG 4.02Å
457	A	97.8	Very high	97.4	Very high	25 Å²	25	50.7 Å²	50.7	21%	0.207	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-46.5	177.1	0	0	0	0	0	112.1	L453 T454 Y455 F460 Q461 R831	L453-A457 PolarHBondContact O-N 3.21Å; T454-A457 PolarHBondContact O-N 3.12Å; Y455-A457 VanDerWaalsContact C-N 3.34Å; Y455-A457 PolarHBondContact O-N 3.34Å; A457-F460 PolarHBondContact O-N 3.13Å; A457-Q461 PolarHBondContact O-N 3.42Å; A457-R831 HydrophobicContact CB-CG 4.04Å
458	S	97.2	Very high	97.4	Very high	64 Å²	64	51.7 Å²	51.7	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-38.6	178	-62.6	0	0	0	0	112.6	T454 Y455 F460 Q461 L462	T454-S458 PolarHBondContact O-N 2.79Å; T454-S458 PolarHBondContact O-OG 2.99Å; Y455-S458 PolarHBondContact O-N 3.35Å; S458-F460 VanDerWaalsContact C-N 3.34Å; S458-Q461 PolarHBondContact O-N 2.81Å; S458-L462 PolarHBondContact O-N 2.86Å
459	K	97.7	Very high	97.5	Very high	14 Å²	14	54.6 Å²	54.6	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-41.5	176.3	-166.4	-166.7	-169.7	-176.1	0	110.9	Y455 L456 L462 H463 Y918 T922	Y455-K459 HydrophobicContact CE1-CD 4.18Å; Y455-K459 HydrophobicContact CE2-CB 4.36Å; Y455-K459 HydrophobicContact CE2-CD 4.44Å; Y455-K459 VanDerWaalsContact O-CB 3.29Å; Y455-K459 WeakPolarHBondContact O-CB 3.4Å; Y455-K459 PolarHBondContact O-N 2.78Å; Y455-K459 WeakPolarHBondContact OH-CD 3.46Å; Y455-K459 WeakPolarHBondContact OH-CE 3.38Å; L456-K459 PolarHBondContact O-N 3.11Å; K459-L462 PolarHBondContact O-N 3.38Å; K459-H463 WeakPolarHBondContact O-CB 3.47Å; K459-H463 PolarHBondContact O-N 3.17Å; K459-Y918 HydrophobicContact CD-CE2 4.18Å; K459-Y918 HydrophobicContact CG-CE2 4.16Å; K459-T922 HydrophobicContact CD-CG2 3.99Å; K459-T922 PolarHBondContact NZ-OG1 2.9Å
460	F	98.3	Very high	97.4	Very high	20 Å²	20	58.3 Å²	58.3	9%	0.088	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-42.3	177	-179.3	-107.4	0	0	0	111.4	L456 A457 S458 L462 H463 S464 A830 Y918	L456-F460 PolarHBondContact O-N 3.35Å; A457-F460 PolarHBondContact O-N 3.13Å; S458-F460 VanDerWaalsContact C-N 3.34Å; F460-L462 VanDerWaalsContact C-N 3.29Å; F460-L462 PolarHBondContact O-N 3.47Å; F460-H463 WeakPolarHBondContact O-CB 3.31Å; F460-H463 PolarHBondContact O-N 2.99Å; F460-H463 VanDerWaalsContact O-N 3.12Å; F460-S464 PolarHBondContact O-N 3.49Å; F460-S464 PolarHBondContact O-OG 3.4Å; F460-A830 WeakPolarHBondContact CB-O 3.47Å; F460-A830 HydrophobicContact CD1-CB 3.62Å; F460-A830 HydrophobicContact CE1-CB 4.13Å; F460-A830 HydrophobicContact CG-CB 4.39Å; F460-A830 VanDerWaalsContact CG-O 3.31Å; F460-A830 WeakPolarHBondContact CG-O 3.46Å; F460-Y918 WeakPolarHBondContact CA-OH 3.15Å; F460-Y918 HydrophobicContact CB-CE1 4.35Å; F460-Y918 WeakPolarHBondContact CB-OH 3.49Å; F460-Y918 HydrophobicContact CD2-CD1 4.24Å; F460-Y918 AromaticContact CD2-CE1 3.59Å; F460-Y918 HydrophobicContact CD2-CE1 3.59Å; F460-Y918 HydrophobicContact CE2-CE1 4.44Å; F460-Y918 HydrophobicContact CG-CE1 4.45Å; F460-Y918 PolarHBondContact N-OH 3.23Å
461	Q	97.6	Very high	97.5	Very high	125 Å²	125	51.4 Å²	51.4	58%	0.584	27%	0.265	S	S	*	.	H	α-helix	trans	-56.7	-44.3	174.9	-174.5	179.1	2.1	0	0	111.8	A457 S458 S464 L465	A457-Q461 PolarHBondContact O-N 3.42Å; S458-Q461 PolarHBondContact O-N 2.81Å; Q461-S464 PolarHBondContact O-N 3.45Å; Q461-L465 VanDerWaalsContact O-CG 3.32Å; Q461-L465 WeakPolarHBondContact O-CG 3.47Å; Q461-L465 PolarHBondContact O-N 3.2Å; Q461-L465 VanDerWaalsContact O-N 3.09Å
462	L	97.7	Very high	97.5	Very high	70 Å²	70	46.6 Å²	46.6	37%	0.366	25%	0.253	S	S	.	.	H	α-helix	trans	-68.2	-39.5	176	-174.4	56.2	0	0	0	112.1	V231 S458 K459 F460 L465 L466	V231-L462 HydrophobicContact CB-CD2 4.25Å; V231-L462 HydrophobicContact CG1-CD2 3.76Å; V231-L462 HydrophobicContact CG2-CB 4.25Å; V231-L462 HydrophobicContact CG2-CD2 3.43Å; V231-L462 VanDerWaalsContact CG2-CD2 3.43Å; V231-L462 HydrophobicContact CG2-CG 3.65Å; S458-L462 PolarHBondContact O-N 2.86Å; K459-L462 PolarHBondContact O-N 3.38Å; F460-L462 VanDerWaalsContact C-N 3.29Å; F460-L462 PolarHBondContact O-N 3.47Å; L462-L465 PolarHBondContact O-N 3.3Å; L462-L466 HydrophobicContact CD1-CD1 3.84Å; L462-L466 HydrophobicContact CD1-CG 4.06Å; L462-L466 HydrophobicContact CG-CD1 3.84Å; L462-L466 HydrophobicContact CG-CG 4.44Å; L462-L466 WeakPolarHBondContact O-CB 3.22Å; L462-L466 VanDerWaalsContact O-CG 3.25Å; L462-L466 WeakPolarHBondContact O-CG 3.35Å; L462-L466 PolarHBondContact O-N 2.9Å; L462-L466 VanDerWaalsContact O-N 3.07Å
463	H	98	Very high	97.4	Very high	2 Å²	2	49 Å²	49	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-57.1	-49.6	172.7	172.1	80	0	0	0	111.7	F228 K459 F460 L465 L466 N467 E471 Y918	F228-H463 AromaticContact CD2-CE1 3.97Å; F228-H463 AromaticContact CD2-ND1 3.98Å; K459-H463 WeakPolarHBondContact O-CB 3.47Å; K459-H463 PolarHBondContact O-N 3.17Å; F460-H463 WeakPolarHBondContact O-CB 3.31Å; F460-H463 PolarHBondContact O-N 2.99Å; F460-H463 VanDerWaalsContact O-N 3.12Å; H463-L465 PolarHBondContact O-N 3.19Å; H463-L466 PolarHBondContact O-N 2.83Å; H463-N467 PolarHBondContact CE1-ND2 3.03Å; H463-N467 PolarHBondContact ND1-ND2 2.97Å; H463-N467 VanDerWaalsContact O-CB 3.27Å; H463-N467 WeakPolarHBondContact O-CB 3.46Å; H463-N467 PolarHBondContact O-N 3.34Å; H463-N467 PolarHBondContact O-ND2 3.12Å; H463-E471 IonicContact CD2-OE1 3.31Å; H463-E471 IonicContact CE1-OE1 2.91Å; H463-E471 IonicContact NE2-OE1 3.5Å; H463-E471 PolarHBondContact NE2-OE1 3.12Å; H463-Y918 HydrophobicContact CB-CD2 3.75Å; H463-Y918 HydrophobicContact CB-CE2 3.54Å; H463-Y918 HydrophobicContact CB-CG 4.39Å; H463-Y918 AromaticContact CD2-CG 3.96Å; H463-Y918 AromaticContact CE1-CD2 3.94Å; H463-Y918 AromaticContact CE1-CG 3.75Å; H463-Y918 AromaticContact CG-CD2 3.45Å; H463-Y918 VanDerWaalsContact CG-CD2 3.45Å; H463-Y918 AromaticContact CG-CE2 3.78Å; H463-Y918 AromaticContact CG-CG 3.72Å; H463-Y918 AromaticContact ND1-CD2 3.32Å; H463-Y918 VanDerWaalsContact ND1-CD2 3.32Å; H463-Y918 WeakPolarHBondContact ND1-CD2 3.02Å; H463-Y918 AromaticContact ND1-CG 3.6Å; H463-Y918 AromaticContact NE2-CG 3.98Å
464	S	97.4	Very high	97.3	Very high	23 Å²	23	50.6 Å²	50.6	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-57.9	-48.4	177.5	-61	0	0	0	0	111.1	F460 Q461 L466 N467 E468	F460-S464 PolarHBondContact O-N 3.49Å; F460-S464 PolarHBondContact O-OG 3.4Å; Q461-S464 PolarHBondContact O-N 3.45Å; S464-L466 PolarHBondContact O-N 2.86Å; S464-N467 PolarHBondContact O-N 2.82Å; S464-E468 WeakPolarHBondContact O-CB 3.24Å; S464-E468 PolarHBondContact O-N 3.2Å
465	L	97.5	Very high	97.2	Very high	135 Å²	135	48.7 Å²	48.7	71%	0.707	26%	0.261	S	S	*	.	H	α-helix	trans	-58.4	-34.5	178.8	-72.4	172.1	0	0	0	113.4	Q461 L462 H463	Q461-L465 VanDerWaalsContact O-CG 3.32Å; Q461-L465 WeakPolarHBondContact O-CG 3.47Å; Q461-L465 PolarHBondContact O-N 3.2Å; Q461-L465 VanDerWaalsContact O-N 3.09Å; L462-L465 PolarHBondContact O-N 3.3Å; H463-L465 PolarHBondContact O-N 3.19Å
466	L	97.7	Very high	97.1	Very high	77 Å²	77	54.2 Å²	54.2	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-90.9	-30.1	-176.6	-63.3	173.6	0	0	0	113.4	Q229 V231 L462 H463 S464	Q229-L466 HydrophobicContact CB-CB 3.81Å; Q229-L466 HydrophobicContact CB-CD1 4.13Å; Q229-L466 HydrophobicContact CG-CB 4.3Å; V231-L466 HydrophobicContact CG2-CD1 4.27Å; L462-L466 HydrophobicContact CD1-CD1 3.84Å; L462-L466 HydrophobicContact CD1-CG 4.06Å; L462-L466 HydrophobicContact CG-CD1 3.84Å; L462-L466 HydrophobicContact CG-CG 4.44Å; L462-L466 WeakPolarHBondContact O-CB 3.22Å; L462-L466 VanDerWaalsContact O-CG 3.25Å; L462-L466 WeakPolarHBondContact O-CG 3.35Å; L462-L466 PolarHBondContact O-N 2.9Å; L462-L466 VanDerWaalsContact O-N 3.07Å; H463-L466 PolarHBondContact O-N 2.83Å; S464-L466 PolarHBondContact O-N 2.86Å
467	N	98	Very high	96.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-121	-12.5	-165.5	-62.3	-58.2	0	0	0	115.1	F228 Q229 H463 S464 A469 R470 E471 I914	F228-N467 WeakPolarHBondContact CB-OD1 3.2Å; Q229-N467 WeakPolarHBondContact CB-OD1 3.24Å; Q229-N467 PolarHBondContact N-OD1 2.84Å; Q229-N467 PolarHBondContact O-ND2 2.84Å; Q229-N467 PolarHBondContact OE1-OD1 3.04Å; H463-N467 PolarHBondContact CE1-ND2 3.03Å; H463-N467 PolarHBondContact ND1-ND2 2.97Å; H463-N467 VanDerWaalsContact O-CB 3.27Å; H463-N467 WeakPolarHBondContact O-CB 3.46Å; H463-N467 PolarHBondContact O-N 3.34Å; H463-N467 PolarHBondContact O-ND2 3.12Å; S464-N467 PolarHBondContact O-N 2.82Å; N467-A469 PolarHBondContact O-N 3.07Å; N467-R470 WeakPolarHBondContact O-CA 3.41Å; N467-R470 WeakPolarHBondContact O-CB 3.15Å; N467-R470 PolarHBondContact O-N 3.42Å; N467-E471 PolarHBondContact O-N 3.07Å; N467-I914 HydrophobicContact CB-CG2 4.17Å
468	E	96.6	Very high	96.7	Very high	98 Å²	98	63.5 Å²	63.5	46%	0.458	32%	0.318	S	S	.	.	H	α-helix	trans	-54.7	-40.3	-177.4	179.7	-174.9	134.6	0	0	112.3	S464 R470 E471 S472 T866	S464-E468 WeakPolarHBondContact O-CB 3.24Å; S464-E468 PolarHBondContact O-N 3.2Å; E468-R470 VanDerWaalsContact C-N 3.32Å; E468-R470 PolarHBondContact O-N 3.32Å; E468-E471 PolarHBondContact O-N 3.21Å; E468-S472 WeakPolarHBondContact O-CB 3.31Å; E468-S472 PolarHBondContact O-N 3.26Å; E468-T866 HydrophobicContact CG-CG2 4.12Å
469	A	96.8	Very high	96.3	Very high	70 Å²	70	65.6 Å²	65.6	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-63.6	-37.3	176.6	0	0	0	0	0	112.4	N467 I473	N467-A469 PolarHBondContact O-N 3.07Å; A469-I473 WeakPolarHBondContact O-CD1 3.47Å; A469-I473 VanDerWaalsContact O-CG1 3.23Å; A469-I473 WeakPolarHBondContact O-CG1 3.24Å; A469-I473 PolarHBondContact O-N 2.8Å; A469-I473 VanDerWaalsContact O-N 3.07Å
470	R	97.1	Very high	96.1	Very high	79 Å²	79	71.9 Å²	71.9	30%	0.298	36%	0.362	S	S	.	.	H	α-helix	trans	-71.7	-44	177	-64.7	-177.4	173.9	-147.4	-3.8	111.1	E227 Q229 N467 E468 S472 I473 E474 I914	E227-R470 IonicContact OE1-CZ 3.25Å; E227-R470 IonicContact OE1-NH1 2.78Å; E227-R470 PolarHBondContact OE1-NH1 3.49Å; E227-R470 IonicContact OE1-NH2 3.5Å; Q229-R470 VanDerWaalsContact NE2-CZ 3.25Å; N467-R470 WeakPolarHBondContact O-CA 3.41Å; N467-R470 WeakPolarHBondContact O-CB 3.15Å; N467-R470 PolarHBondContact O-N 3.42Å; E468-R470 VanDerWaalsContact C-N 3.32Å; E468-R470 PolarHBondContact O-N 3.32Å; R470-S472 VanDerWaalsContact C-N 3.3Å; R470-S472 PolarHBondContact O-N 3.23Å; R470-I473 PolarHBondContact O-N 3.35Å; R470-I473 VanDerWaalsContact O-N 3.15Å; R470-E474 PolarHBondContact O-N 3.09Å; R470-I914 HydrophobicContact CB-CD1 3.62Å
471	E	97.9	Very high	95.9	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-55.2	-47	172.9	-71.1	-178	162.7	0	0	110.5	H463 N467 E468 I473 E474 Q475 P912 I914 R915	H463-E471 IonicContact CD2-OE1 3.31Å; H463-E471 IonicContact CE1-OE1 2.91Å; H463-E471 IonicContact NE2-OE1 3.5Å; H463-E471 PolarHBondContact NE2-OE1 3.12Å; N467-E471 PolarHBondContact O-N 3.07Å; E468-E471 PolarHBondContact O-N 3.21Å; E471-I473 PolarHBondContact O-N 3.25Å; E471-E474 WeakPolarHBondContact O-CB 3.43Å; E471-E474 PolarHBondContact O-N 3.16Å; E471-Q475 PolarHBondContact O-N 2.89Å; E471-Q475 VanDerWaalsContact O-N 3.08Å; E471-P912 HydrophobicContact CB-CB 4.2Å; E471-P912 HydrophobicContact CB-CG 4.02Å; E471-P912 HydrophobicContact CG-CB 4.21Å; E471-P912 HydrophobicContact CG-CG 4.5Å; E471-P912 WeakPolarHBondContact O-CG 3.44Å; E471-I914 HydrophobicContact CG-CB 3.98Å; E471-I914 HydrophobicContact CG-CG2 3.71Å; E471-R915 IonicContact OE1-CZ 2.87Å; E471-R915 IonicContact OE1-NE 2.8Å; E471-R915 PolarHBondContact OE1-NE 2.81Å; E471-R915 IonicContact OE1-NH2 2.8Å; E471-R915 IonicContact OE2-CZ 3.88Å; E471-R915 IonicContact OE2-NE 3.91Å; E471-R915 IonicContact OE2-NH2 3.03Å; E471-R915 PolarHBondContact OE2-NH2 3.44Å
472	S	96.7	Very high	95.8	Very high	39 Å²	39	69.2 Å²	69.2	27%	0.273	35%	0.351	S	S	.	.	H	α-helix	trans	-61.9	-39.3	176.6	-174.8	0	0	0	0	113.1	E468 R470 E474 K476	E468-S472 WeakPolarHBondContact O-CB 3.31Å; E468-S472 PolarHBondContact O-N 3.26Å; R470-S472 VanDerWaalsContact C-N 3.3Å; R470-S472 PolarHBondContact O-N 3.23Å; S472-E474 VanDerWaalsContact C-N 3.35Å; S472-K476 WeakPolarHBondContact O-CB 3.26Å; S472-K476 VanDerWaalsContact O-CG 3.28Å; S472-K476 WeakPolarHBondContact O-CG 3.44Å; S472-K476 PolarHBondContact O-N 3.31Å; S472-K476 WeakPolarHBondContact OG-CE 3.44Å; S472-K476 PolarHBondContact OG-NZ 2.95Å
473	I	96.3	Very high	95.8	Very high	76 Å²	76	66.9 Å²	66.9	39%	0.39	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-39.5	176.3	-71.1	163.5	0	0	0	110.6	A469 R470 E471 K476 R477	A469-I473 WeakPolarHBondContact O-CD1 3.47Å; A469-I473 VanDerWaalsContact O-CG1 3.23Å; A469-I473 WeakPolarHBondContact O-CG1 3.24Å; A469-I473 PolarHBondContact O-N 2.8Å; A469-I473 VanDerWaalsContact O-N 3.07Å; R470-I473 PolarHBondContact O-N 3.35Å; R470-I473 VanDerWaalsContact O-N 3.15Å; E471-I473 PolarHBondContact O-N 3.25Å; I473-K476 PolarHBondContact O-N 3.21Å; I473-R477 HydrophobicContact CG2-CG 4.35Å; I473-R477 VanDerWaalsContact CG2-NE 3.34Å; I473-R477 VanDerWaalsContact O-CG 3.26Å; I473-R477 WeakPolarHBondContact O-CG 3.35Å; I473-R477 PolarHBondContact O-N 3.4Å
474	E	94.6	Very high	95.8	Very high	35 Å²	35	75.3 Å²	75.3	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-45.9	177	-152.9	-175.4	148.3	0	0	111.3	R470 E471 S472 K476 R477 V478 I906 P912 N913 I914	R470-E474 PolarHBondContact O-N 3.09Å; E471-E474 WeakPolarHBondContact O-CB 3.43Å; E471-E474 PolarHBondContact O-N 3.16Å; S472-E474 VanDerWaalsContact C-N 3.35Å; E474-K476 VanDerWaalsContact C-N 3.31Å; E474-K476 PolarHBondContact O-N 2.84Å; E474-R477 PolarHBondContact O-N 2.59Å; E474-V478 PolarHBondContact O-N 3.1Å; E474-I906 HydrophobicContact CB-CD1 4.21Å; E474-I906 HydrophobicContact CG-CD1 3.66Å; E474-P912 HydrophobicContact CB-CB 4.15Å; E474-P912 HydrophobicContact CB-CG 4.33Å; E474-P912 HydrophobicContact CG-CB 4.49Å; E474-P912 WeakPolarHBondContact OE2-CB 3.47Å; E474-N913 WeakPolarHBondContact OE1-CB 3.31Å; E474-N913 PolarHBondContact OE1-N 3.47Å; E474-N913 PolarHBondContact OE2-N 3.35Å; E474-I914 WeakPolarHBondContact OE2-CG1 3.41Å
475	Q	96	Very high	95.7	Very high	20 Å²	20	74.8 Å²	74.8	9%	0.093	37%	0.367	C	S	.	.	H	α-helix	trans	-62.6	-34.4	174	-62.4	-169.6	-67.6	0	0	112.8	E471 R477 V478 S867 T868 N910 P912	E471-Q475 PolarHBondContact O-N 2.89Å; E471-Q475 VanDerWaalsContact O-N 3.08Å; Q475-R477 VanDerWaalsContact C-N 3.33Å; Q475-V478 WeakPolarHBondContact O-CG1 3.12Å; Q475-S867 PolarHBondContact NE2-OG 2.77Å; Q475-S867 PolarHBondContact OE1-OG 3.43Å; Q475-T868 VanDerWaalsContact CD-OG1 3.29Å; Q475-T868 PolarHBondContact OE1-OG1 2.88Å; Q475-N910 PolarHBondContact NE2-O 3.28Å; Q475-P912 HydrophobicContact CG-CG 3.48Å; Q475-P912 VanDerWaalsContact CG-CG 3.48Å
476	K	95	Very high	95.8	Very high	164 Å²	164	68.5 Å²	68.5	71%	0.713	33%	0.334	S	S	*	.	H	α-helix	trans	-74.8	-22.5	177.3	-74.3	167.6	-178.4	161.5	0	113.4	S472 I473 E474	S472-K476 WeakPolarHBondContact O-CB 3.26Å; S472-K476 VanDerWaalsContact O-CG 3.28Å; S472-K476 WeakPolarHBondContact O-CG 3.44Å; S472-K476 PolarHBondContact O-N 3.31Å; S472-K476 WeakPolarHBondContact OG-CE 3.44Å; S472-K476 PolarHBondContact OG-NZ 2.95Å; I473-K476 PolarHBondContact O-N 3.21Å; E474-K476 VanDerWaalsContact C-N 3.31Å; E474-K476 PolarHBondContact O-N 2.84Å
477	R	94.2	Very high	95.8	Very high	201 Å²	201	65.8 Å²	65.8	76%	0.758	32%	0.318	S	S	*	.	H	α-helix	trans	-82.1	-25.8	179.7	-77.6	173.3	-179.9	-177.7	2.9	112.6	I473 E474 Q475 S479	I473-R477 HydrophobicContact CG2-CG 4.35Å; I473-R477 VanDerWaalsContact CG2-NE 3.34Å; I473-R477 VanDerWaalsContact O-CG 3.26Å; I473-R477 WeakPolarHBondContact O-CG 3.35Å; I473-R477 PolarHBondContact O-N 3.4Å; E474-R477 PolarHBondContact O-N 2.59Å; Q475-R477 VanDerWaalsContact C-N 3.33Å; R477-S479 PolarHBondContact O-N 3.03Å
478	V	91.7	Very high	95.8	Very high	21 Å²	21	65.9 Å²	65.9	13%	0.127	32%	0.319	C	S	.	.	S	Bend	trans	-71.2	128.2	178.7	62.7	0	0	0	0	110.4	E474 Q475 R481 I906 T907 N910	E474-V478 PolarHBondContact O-N 3.1Å; Q475-V478 WeakPolarHBondContact O-CG1 3.12Å; V478-R481 HydrophobicContact CG1-CB 4.31Å; V478-R481 HydrophobicContact CG2-CB 4.08Å; V478-I906 HydrophobicContact CB-CD1 4.47Å; V478-I906 HydrophobicContact CB-CG1 4.39Å; V478-I906 HydrophobicContact CG1-CD1 4.38Å; V478-I906 HydrophobicContact CG1-CG1 4.28Å; V478-I906 HydrophobicContact CG2-CG2 4.48Å; V478-T907 HydrophobicContact CG2-CG2 4.15Å; V478-N910 WeakPolarHBondContact CG1-OD1 3.2Å
479	S	89.6	Confident	95.9	Very high	107 Å²	107	61.2 Å²	61.2	75%	0.748	30%	0.297	S	S	*	.	S	Bend	trans	-71.4	141.2	177.2	-65.2	0	0	0	0	110.7	R477 R481	R477-S479 PolarHBondContact O-N 3.03Å; S479-R481 PolarHBondContact O-N 3.06Å
480	H	92.7	Very high	96	Very high	146 Å²	146	58 Å²	58	68%	0.676	27%	0.27	S	S	*	.	S	Bend	trans	65.4	-37.3	172.8	-176	70.6	0	0	0	116.8	N485	H480-N485 PolarHBondContact CD2-ND2 2.99Å; H480-N485 PolarHBondContact NE2-ND2 3.41Å; H480-N485 PolarHBondContact O-ND2 3.2Å
481	R	94.2	Very high	96.1	Very high	17 Å²	17	54.2 Å²	54.2	6%	0.064	26%	0.256	C	S	.	.			trans	-77.5	129.5	-170.6	-165.4	67.9	59.4	-164.8	-1.9	112.2	V478 S479 N485 I486 T907 R908 N910	V478-R481 HydrophobicContact CG1-CB 4.31Å; V478-R481 HydrophobicContact CG2-CB 4.08Å; S479-R481 PolarHBondContact O-N 3.06Å; R481-N485 WeakPolarHBondContact CA-OD1 3.34Å; R481-N485 VanDerWaalsContact CD-OD1 3.32Å; R481-N485 WeakPolarHBondContact CD-OD1 3.27Å; R481-N485 PolarHBondContact NH1-O 3.45Å; R481-I486 HydrophobicContact CG-CG2 3.84Å; R481-T907 VanDerWaalsContact CZ-O 3.27Å; R481-T907 PolarHBondContact NE-O 2.77Å; R481-T907 PolarHBondContact NH2-O 2.81Å; R481-R908 PolarHBondContact NE-O 3.12Å; R481-N910 HydrophobicContact CG-CB 3.68Å
482	D	96.9	Very high	96.1	Very high	72 Å²	72	54.2 Å²	54.2	39%	0.385	26%	0.256	S	S	.	.			trans	-144.5	-176.4	173.6	67	26.9	0	0	0	110.9	Y484 N485 I486 N910	D482-Y484 VanDerWaalsContact C-N 3.26Å; D482-Y484 PolarHBondContact O-N 3Å; D482-Y484 WeakPolarHBondContact OD1-CA 3.32Å; D482-Y484 WeakPolarHBondContact OD1-CB 3.06Å; D482-Y484 PolarHBondContact OD1-N 2.84Å; D482-N485 PolarHBondContact N-OD1 2.92Å; D482-N485 PolarHBondContact O-N 3.35Å; D482-N485 PolarHBondContact O-OD1 3.39Å; D482-N485 PolarHBondContact OD1-N 2.9Å; D482-N485 VanDerWaalsContact OD1-N 3.15Å; D482-N485 PolarHBondContact OD1-OD1 2.94Å; D482-I486 VanDerWaalsContact O-CG2 3.32Å; D482-I486 WeakPolarHBondContact O-CG2 3.41Å; D482-I486 PolarHBondContact O-N 3.1Å; D482-N910 WeakPolarHBondContact CA-ND2 3.39Å
483	F	97.5	Very high	96.2	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.096	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.1	-179.8	-178.1	-102.6	0	0	0	113.9	I486 K488 Y856 M870	F483-I486 HydrophobicContact CD2-CD1 3.68Å; F483-I486 HydrophobicContact CD2-CG1 4.37Å; F483-I486 HydrophobicContact CE2-CD1 4.14Å; F483-I486 VanDerWaalsContact O-CG1 3.28Å; F483-I486 WeakPolarHBondContact O-CG1 3.46Å; F483-K488 HydrophobicContact CE1-CD 4.39Å; F483-K488 HydrophobicContact CE2-CD 4.31Å; F483-K488 HydrophobicContact CZ-CD 3.96Å; F483-K488 PolarHBondContact O-NZ 3.29Å; F483-Y856 AromaticContact CE2-CD1 3.9Å; F483-Y856 HydrophobicContact CE2-CD1 3.9Å; F483-Y856 HydrophobicContact CE2-CE1 4.02Å; F483-Y856 AromaticContact CZ-CD1 3.48Å; F483-Y856 HydrophobicContact CZ-CD1 3.48Å; F483-Y856 VanDerWaalsContact CZ-CD1 3.48Å; F483-Y856 AromaticContact CZ-CE1 3.96Å; F483-Y856 HydrophobicContact CZ-CE1 3.96Å; F483-Y856 AromaticContact CZ-CG 3.84Å; F483-Y856 HydrophobicContact CZ-CG 3.84Å; F483-M870 HydrophobicContact CB-CE 4.11Å; F483-M870 HydrophobicContact CD1-CE 4Å; F483-M870 HydrophobicContact CD2-CB 3.74Å; F483-M870 HydrophobicContact CD2-CE 3.91Å; F483-M870 HydrophobicContact CE1-CE 4.44Å; F483-M870 HydrophobicContact CE2-CB 3.61Å; F483-M870 HydrophobicContact CE2-CE 4.38Å; F483-M870 HydrophobicContact CG-CE 3.71Å; F483-M870 HydrophobicContact CZ-CB 4.36Å
484	Y	96.9	Very high	96.3	Very high	178 Å²	178	49.3 Å²	49.3	70%	0.698	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-37.2	-177.7	-69.1	-86.7	0	0	0	111.4	D482 K488	D482-Y484 VanDerWaalsContact C-N 3.26Å; D482-Y484 PolarHBondContact O-N 3Å; D482-Y484 WeakPolarHBondContact OD1-CA 3.32Å; D482-Y484 WeakPolarHBondContact OD1-CB 3.06Å; D482-Y484 PolarHBondContact OD1-N 2.84Å; Y484-K488 PolarHBondContact O-NZ 3.46Å
485	N	96.7	Very high	96.5	Very high	13 Å²	13	47.7 Å²	47.7	7%	0.07	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.1	-177.4	67.4	3.9	0	0	0	115.8	H480 R481 D482 Y610	H480-N485 PolarHBondContact CD2-ND2 2.99Å; H480-N485 PolarHBondContact NE2-ND2 3.41Å; H480-N485 PolarHBondContact O-ND2 3.2Å; R481-N485 WeakPolarHBondContact CA-OD1 3.34Å; R481-N485 VanDerWaalsContact CD-OD1 3.32Å; R481-N485 WeakPolarHBondContact CD-OD1 3.27Å; R481-N485 PolarHBondContact NH1-O 3.45Å; D482-N485 PolarHBondContact N-OD1 2.92Å; D482-N485 PolarHBondContact O-N 3.35Å; D482-N485 PolarHBondContact O-OD1 3.39Å; D482-N485 PolarHBondContact OD1-N 2.9Å; D482-N485 VanDerWaalsContact OD1-N 3.15Å; D482-N485 PolarHBondContact OD1-OD1 2.94Å; N485-Y610 HydrophobicContact CB-CD1 4.47Å; N485-Y610 HydrophobicContact CB-CD2 4.29Å; N485-Y610 HydrophobicContact CB-CE1 3.97Å; N485-Y610 HydrophobicContact CB-CE2 3.75Å; N485-Y610 WeakPolarHBondContact O-CD1 3.37Å; N485-Y610 WeakPolarHBondContact O-CE1 3.48Å
486	I	98	Very high	96.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	22%	0.22	C	C	.	.	S	Bend	trans	-79.5	158.8	163.2	57.6	173.3	0	0	0	111.4	R481 D482 F483 K488 Y610 C871 A874 S909 N910	R481-I486 HydrophobicContact CG-CG2 3.84Å; D482-I486 VanDerWaalsContact O-CG2 3.32Å; D482-I486 WeakPolarHBondContact O-CG2 3.41Å; D482-I486 PolarHBondContact O-N 3.1Å; F483-I486 HydrophobicContact CD2-CD1 3.68Å; F483-I486 HydrophobicContact CD2-CG1 4.37Å; F483-I486 HydrophobicContact CE2-CD1 4.14Å; F483-I486 VanDerWaalsContact O-CG1 3.28Å; F483-I486 WeakPolarHBondContact O-CG1 3.46Å; I486-K488 WeakPolarHBondContact O-CE 3.26Å; I486-K488 PolarHBondContact O-NZ 3.16Å; I486-Y610 WeakPolarHBondContact O-CB 3.24Å; I486-C871 HydrophobicContact CD1-CB 4.09Å; I486-A874 HydrophobicContact CD1-CB 3.53Å; I486-A874 HydrophobicContact CG1-CB 4.38Å; I486-S909 WeakPolarHBondContact CG2-O 3.46Å; I486-N910 HydrophobicContact CG2-CB 3.57Å
487	R	98.3	Very high	96.7	Very high	19 Å²	19	39.7 Å²	39.7	7%	0.072	19%	0.186	C	C	.	.			trans	-78.7	136.5	176.5	-58.9	-66.4	-178.6	160.9	11.9	111.6	H350 K609 Y610 V878 W891	H350-R487 PolarHBondContact CE1-NH2 3.11Å; H350-R487 PolarHBondContact ND1-NH2 2.89Å; R487-K609 PolarHBondContact NH1-O 3.31Å; R487-Y610 WeakPolarHBondContact CA-O 3.46Å; R487-V878 HydrophobicContact CB-CG2 3.74Å; R487-W891 HydrophobicContact CB-CB 4.45Å; R487-W891 HydrophobicContact CB-CD2 4.27Å; R487-W891 HydrophobicContact CB-CE3 4.27Å; R487-W891 HydrophobicContact CB-CG 4.39Å; R487-W891 HydrophobicContact CG-CB 3.78Å; R487-W891 HydrophobicContact CG-CD2 3.83Å; R487-W891 HydrophobicContact CG-CE3 4.33Å; R487-W891 HydrophobicContact CG-CG 3.58Å
488	K	98.7	Very high	96.9	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.2	176.1	-64	149.2	-72.2	-93.7	0	107.8	F483 Y484 I486 Y610 Q611 N612 L852 I853 A874	F483-K488 HydrophobicContact CE1-CD 4.39Å; F483-K488 HydrophobicContact CE2-CD 4.31Å; F483-K488 HydrophobicContact CZ-CD 3.96Å; F483-K488 PolarHBondContact O-NZ 3.29Å; Y484-K488 PolarHBondContact O-NZ 3.46Å; I486-K488 WeakPolarHBondContact O-CE 3.26Å; I486-K488 PolarHBondContact O-NZ 3.16Å; K488-Y610 PolarHBondContact N-O 3.02Å; K488-Q611 CarbonylContact O-C 3.58Å; K488-Q611 WeakPolarHBondContact O-CA 3.18Å; K488-N612 PolarHBondContact O-N 2.86Å; K488-N612 PolarHBondContact O-ND2 2.82Å; K488-N612 VanDerWaalsContact O-ND2 3.16Å; K488-L852 HydrophobicContact CB-CD2 4.14Å; K488-I853 HydrophobicContact CD-CD1 4.43Å; K488-A874 HydrophobicContact CG-CB 3.78Å
489	V	98.8	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.5	177.9	-172.6	0	0	0	0	108.6	T491 N612 E614 S877 V878 F883 W891	V489-T491 HydrophobicContact CB-CG2 4.24Å; V489-T491 HydrophobicContact CG1-CG2 4.18Å; V489-T491 PolarHBondContact O-N 2.85Å; V489-T491 VanDerWaalsContact O-N 3.08Å; V489-N612 CarbonylContact C-O 3.52Å; V489-N612 WeakPolarHBondContact CA-O 3.39Å; V489-N612 HydrophobicContact CG1-CB 4.39Å; V489-N612 HydrophobicContact CG2-CB 4.19Å; V489-E614 HydrophobicContact CG1-CG 4.01Å; V489-S877 PolarHBondContact N-OG 2.83Å; V489-S877 VanDerWaalsContact O-CB 3.27Å; V489-S877 WeakPolarHBondContact O-CB 3.35Å; V489-V878 HydrophobicContact CG2-CB 4.44Å; V489-V878 HydrophobicContact CG2-CG2 3.9Å; V489-F883 HydrophobicContact CG1-CD2 4.45Å; V489-F883 HydrophobicContact CG1-CE2 3.87Å; V489-F883 HydrophobicContact CG2-CE2 4.35Å; V489-W891 HydrophobicContact CG2-CZ3 4.03Å
490	D	98.8	Very high	97.5	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	92.5	164.9	-162.8	-14.3	0	0	0	108.8	H492 I493 N612 A613 E614 S838 T839 L852	D490-H492 PolarHBondContact O-N 3.27Å; D490-I493 HydrophobicContact CB-CG2 4.16Å; D490-N612 PolarHBondContact N-O 3.27Å; D490-A613 HydrophobicContact CB-CB 4.02Å; D490-E614 PolarHBondContact O-N 2.78Å; D490-S838 VanDerWaalsContact OD1-CA 3.28Å; D490-S838 WeakPolarHBondContact OD1-CA 3.37Å; D490-S838 WeakPolarHBondContact OD1-CB 3.32Å; D490-T839 PolarHBondContact OD1-N 3.28Å; D490-T839 WeakPolarHBondContact OD2-CB 3.37Å; D490-T839 WeakPolarHBondContact OD2-CG2 3.38Å; D490-T839 PolarHBondContact OD2-OG1 2.98Å; D490-L852 HydrophobicContact CB-CD1 4.09Å; D490-L852 HydrophobicContact CB-CD2 4.26Å
491	T	98.5	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-13.3	-172	49.8	0	0	0	0	112.9	V489 R616 R761 A807 S836 S877 M880	V489-T491 HydrophobicContact CB-CG2 4.24Å; V489-T491 HydrophobicContact CG1-CG2 4.18Å; V489-T491 PolarHBondContact O-N 2.85Å; V489-T491 VanDerWaalsContact O-N 3.08Å; T491-R616 PolarHBondContact O-NH1 3.05Å; T491-R616 PolarHBondContact O-NH2 2.89Å; T491-R761 PolarHBondContact O-NH2 2.66Å; T491-A807 WeakPolarHBondContact OG1-CB 3.15Å; T491-S836 PolarHBondContact OG1-OG 2.96Å; T491-S877 VanDerWaalsContact CG2-O 3.31Å; T491-S877 WeakPolarHBondContact CG2-O 3.48Å; T491-M880 HydrophobicContact CG2-CE 3.85Å
492	H	98.8	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	99.2	-179.6	176.1	-127.8	0	0	0	111.3	D490 H494 H763 N784 H785 A807 S838 T839 D840	D490-H492 PolarHBondContact O-N 3.27Å; H492-H494 AromaticContact NE2-NE2 3.52Å; H492-H763 AromaticContact CD2-CE1 3.7Å; H492-H763 AromaticContact CE1-CE1 3.63Å; H492-H763 AromaticContact CE1-NE2 3.27Å; H492-H763 PolarHBondContact CE1-NE2 2.8Å; H492-H763 VanDerWaalsContact CE1-NE2 3.27Å; H492-H763 AromaticContact NE2-CE1 2.87Å; H492-H763 PolarHBondContact NE2-CE1 2.61Å; H492-H763 AromaticContact NE2-ND1 3.93Å; H492-H763 AromaticContact NE2-NE2 2.93Å; H492-H763 PolarHBondContact NE2-NE2 3.24Å; H492-N784 HydrophobicContact CB-CB 4.43Å; H492-H785 AromaticContact CE1-NE2 3.35Å; H492-H785 PolarHBondContact CE1-NE2 3Å; H492-H785 VanDerWaalsContact CE1-NE2 3.35Å; H492-H785 AromaticContact ND1-NE2 3.93Å; H492-A807 HydrophobicContact CB-CB 3.73Å; H492-S838 WeakPolarHBondContact O-CB 3.31Å; H492-T839 PolarHBondContact O-N 3.03Å; H492-D840 VanDerWaalsContact CE1-CG 3.47Å; H492-D840 IonicContact CE1-OD1 2.84Å; H492-D840 PolarHBondContact CE1-OD1 2.8Å; H492-D840 IonicContact CE1-OD2 3.15Å; H492-D840 IonicContact ND1-OD1 3.18Å; H492-D840 IonicContact NE2-OD1 3.4Å; H492-D840 PolarHBondContact NE2-OD1 3.46Å; H492-D840 WeakPolarHBondContact O-CA 3.42Å; H492-D840 PolarHBondContact O-N 3.22Å
493	I	98.7	Very high	97.9	Very high	4 Å²	4	21.1 Å²	21.1	2%	0.021	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	138.8	-179.5	179.7	176.1	0	0	0	110.2	D490 C498 A613 P615 R616 D840 P842	D490-I493 HydrophobicContact CB-CG2 4.16Å; I493-C498 HydrophobicContact CD1-CB 3.57Å; I493-C498 HydrophobicContact CG1-CB 3.97Å; I493-A613 HydrophobicContact CG2-CB 4.01Å; I493-P615 CarbonylContact O-C 3.54Å; I493-P615 VanDerWaalsContact O-CA 3.23Å; I493-P615 WeakPolarHBondContact O-CA 3.38Å; I493-R616 WeakPolarHBondContact O-CG 3.38Å; I493-R616 PolarHBondContact O-N 3.35Å; I493-D840 CarbonylContact C-O 3.39Å; I493-D840 VanDerWaalsContact CA-O 3.26Å; I493-D840 WeakPolarHBondContact CA-O 3.49Å; I493-P842 HydrophobicContact CD1-CG 3.89Å; I493-P842 HydrophobicContact CG1-CG 4.29Å
494	H	98.6	Very high	97.8	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.042	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.5	177.5	-65.1	-76.5	0	0	0	112	H492 S496 S497 C498 Q649 H763 D840 D841	H492-H494 AromaticContact NE2-NE2 3.52Å; H494-S496 PolarHBondContact O-N 2.94Å; H494-S497 CarbonylContact O-C 3.33Å; H494-S497 PolarHBondContact O-N 3.36Å; H494-C498 PolarHBondContact O-N 3.29Å; H494-Q649 PolarHBondContact CE1-OE1 2.88Å; H494-Q649 PolarHBondContact ND1-OE1 3.23Å; H494-H763 AromaticContact CE1-CE1 3.69Å; H494-H763 AromaticContact CE1-NE2 3.72Å; H494-H763 AromaticContact NE2-CE1 3.81Å; H494-H763 AromaticContact NE2-NE2 3.45Å; H494-H763 PolarHBondContact NE2-NE2 3.13Å; H494-D840 IonicContact CD2-OD1 3.01Å; H494-D840 PolarHBondContact CD2-OD1 3.08Å; H494-D840 PolarHBondContact N-O 3.34Å; H494-D840 IonicContact NE2-OD1 3.93Å; H494-D840 PolarHBondContact NE2-OD1 3.05Å; H494-D840 VanDerWaalsContact NE2-OD1 3.16Å; H494-D841 WeakPolarHBondContact CB-OD1 3.4Å; H494-D841 IonicContact CD2-OD1 3.81Å; H494-D841 PolarHBondContact CD2-OD1 3.19Å; H494-D841 IonicContact CD2-OD2 3.27Å; H494-D841 PolarHBondContact CD2-OD2 3.14Å; H494-D841 IonicContact CG-OD1 3.42Å
495	A	98.3	Very high	97.8	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-59.8	-36.3	-179.7	0	0	0	0	0	112.3	S497 C498 F594 L598 P615 R616 L617 W646	A495-S497 PolarHBondContact O-N 2.78Å; A495-C498 PolarHBondContact O-SG 3.07Å; A495-C498 VanDerWaalsContact O-SG 3.39Å; A495-F594 HydrophobicContact CB-CZ 4.05Å; A495-F594 WeakPolarHBondContact O-CE2 3.33Å; A495-F594 WeakPolarHBondContact O-CZ 3.32Å; A495-L598 HydrophobicContact CB-CD2 4.31Å; A495-P615 HydrophobicContact CB-CB 4.02Å; A495-R616 WeakPolarHBondContact CB-O 3.33Å; A495-R616 PolarHBondContact N-O 3.04Å; A495-L617 HydrophobicContact CB-CD2 3.86Å; A495-L617 HydrophobicContact CB-CG 4.42Å; A495-W646 HydrophobicContact CB-CZ3 4.14Å
496	S	97.1	Very high	97.8	Very high	16 Å²	16	19.2 Å²	19.2	11%	0.112	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-66.8	-12.7	178.8	45.2	0	0	0	0	114.3	H494 Y570	H494-S496 PolarHBondContact O-N 2.94Å; S496-Y570 WeakPolarHBondContact OG-CE1 3.44Å
497	S	98.1	Very high	97.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-132.5	10.7	-174.1	-49.4	0	0	0	0	113	H494 A495 M499 Y570 D841 P842 L843 Q844	H494-S497 CarbonylContact O-C 3.33Å; H494-S497 PolarHBondContact O-N 3.36Å; A495-S497 PolarHBondContact O-N 2.78Å; S497-M499 PolarHBondContact O-N 3.33Å; S497-Y570 WeakPolarHBondContact OG-CE1 3.41Å; S497-D841 WeakPolarHBondContact CB-OD1 3.42Å; S497-D841 PolarHBondContact OG-OD1 3.46Å; S497-P842 WeakPolarHBondContact O-CB 3.18Å; S497-P842 WeakPolarHBondContact O-CD 3.41Å; S497-L843 WeakPolarHBondContact O-CB 3.35Å; S497-L843 PolarHBondContact O-N 3.03Å; S497-Q844 VanDerWaalsContact CB-OE1 3.3Å; S497-Q844 PolarHBondContact OG-OE1 2.63Å
498	C	97.7	Very high	97.5	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.068	8%	0.083	C	C	.	.			trans	-73.9	-13.1	-172	70.4	0	0	0	0	113.9	I493 H494 A495 L598	I493-C498 HydrophobicContact CD1-CB 3.57Å; I493-C498 HydrophobicContact CG1-CB 3.97Å; H494-C498 PolarHBondContact O-N 3.29Å; A495-C498 PolarHBondContact O-SG 3.07Å; A495-C498 VanDerWaalsContact O-SG 3.39Å; C498-L598 WeakPolarHBondContact SG-CD2 3.44Å
499	M	97.8	Very high	97.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	9%	0.092	C	C	.	.	S	Bend	trans	-94.5	143.9	175.8	73.4	-59.9	-67.5	0	0	110.3	S497 H503 L504 L583 F594 V597 V601 L843	S497-M499 PolarHBondContact O-N 3.33Å; M499-H503 HydrophobicContact CB-CB 4.3Å; M499-L504 HydrophobicContact CG-CB 3.94Å; M499-L583 HydrophobicContact CE-CD2 4.04Å; M499-L583 HydrophobicContact SD-CD2 4.32Å; M499-F594 HydrophobicContact CE-CE2 4.23Å; M499-V597 HydrophobicContact CB-CG1 4.01Å; M499-V597 HydrophobicContact CE-CG1 3.51Å; M499-V597 HydrophobicContact CG-CG1 3.9Å; M499-V597 HydrophobicContact SD-CG1 4.5Å; M499-V601 HydrophobicContact CB-CG2 3.8Å; M499-L843 HydrophobicContact CG-CD1 4.47Å; M499-L843 WeakPolarHBondContact O-CA 3.28Å; M499-L843 WeakPolarHBondContact O-CB 3.33Å; M499-L843 PolarHBondContact O-N 2.93Å; M499-L843 HydrophobicContact SD-CB 4.29Å; M499-L843 HydrophobicContact SD-CD1 4.33Å; M499-L843 HydrophobicContact SD-CD2 4.03Å; M499-L843 HydrophobicContact SD-CG 4.46Å
500	N	96.9	Very high	97.1	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.091	12%	0.116	C	C	.	.			trans	-72.3	159.8	172.4	63	71.6	0	0	0	111.8	K502 H503 L504 T848	N500-K502 PolarHBondContact O-N 3.38Å; N500-K502 VanDerWaalsContact O-N 3.15Å; N500-K502 WeakPolarHBondContact OD1-CB 3.4Å; N500-K502 PolarHBondContact OD1-N 3.5Å; N500-K502 VanDerWaalsContact OD1-N 3.15Å; N500-H503 WeakPolarHBondContact O-CB 3.29Å; N500-H503 PolarHBondContact O-N 3Å; N500-H503 PolarHBondContact OD1-N 3.21Å; N500-L504 PolarHBondContact O-N 3.29Å; N500-T848 PolarHBondContact ND2-O 3.39Å
501	Q	96.4	Very high	97	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.098	12%	0.118	C	C	.	.	H	α-helix	trans	-55.1	-33.4	179.9	58.7	-179.1	-21.2	0	0	114.3	L505 I548 V553 H554 L843	Q501-L505 WeakPolarHBondContact O-CB 3.27Å; Q501-L505 PolarHBondContact O-N 3.29Å; Q501-I548 HydrophobicContact CB-CG2 4.35Å; Q501-I548 VanDerWaalsContact CD-CG2 3.42Å; Q501-I548 HydrophobicContact CG-CG2 3.99Å; Q501-V553 HydrophobicContact CB-CG2 4.02Å; Q501-H554 VanDerWaalsContact CD-CD2 3.41Å; Q501-H554 PolarHBondContact NE2-CD2 2.68Å; Q501-L843 HydrophobicContact CB-CD1 4.23Å
502	K	97.1	Very high	96.7	Very high	106 Å²	106	27.5 Å²	27.5	46%	0.461	12%	0.122	S	C	.	.	H	α-helix	trans	-72.2	-38.2	178.4	-178.7	59.2	172	-168.9	0	111.6	N500 R506 I548	N500-K502 PolarHBondContact O-N 3.38Å; N500-K502 VanDerWaalsContact O-N 3.15Å; N500-K502 WeakPolarHBondContact OD1-CB 3.4Å; N500-K502 PolarHBondContact OD1-N 3.5Å; N500-K502 VanDerWaalsContact OD1-N 3.15Å; K502-R506 HydrophobicContact CD-CG 4.48Å; K502-R506 VanDerWaalsContact O-CG 3.3Å; K502-R506 WeakPolarHBondContact O-CG 3.43Å; K502-R506 PolarHBondContact O-N 3.15Å; K502-I548 HydrophobicContact CB-CD1 4.46Å; K502-I548 HydrophobicContact CD-CD1 4.07Å
503	H	97.5	Very high	96.4	Very high	19 Å²	19	35.8 Å²	35.8	9%	0.088	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-52.3	174.8	-175.6	-178.6	0	0	0	110.2	M499 N500 L505 R506 F507 E600	M499-H503 HydrophobicContact CB-CB 4.3Å; N500-H503 WeakPolarHBondContact O-CB 3.29Å; N500-H503 PolarHBondContact O-N 3Å; N500-H503 PolarHBondContact OD1-N 3.21Å; H503-L505 VanDerWaalsContact C-N 3.32Å; H503-L505 PolarHBondContact O-N 3.35Å; H503-R506 PolarHBondContact O-N 3.19Å; H503-R506 VanDerWaalsContact O-N 3.09Å; H503-F507 WeakPolarHBondContact O-CB 3.49Å; H503-F507 PolarHBondContact O-N 3.22Å; H503-E600 IonicContact CD2-OE2 2.75Å; H503-E600 IonicContact CE1-OE2 3.74Å; H503-E600 IonicContact NE2-OE2 2.82Å; H503-E600 PolarHBondContact NE2-OE2 3.03Å
504	L	97.1	Very high	96.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-56.6	-45.9	178.6	-176.6	58.4	0	0	0	111.7	M499 N500 R506 F507 I508 L551 L583 L843	M499-L504 HydrophobicContact CG-CB 3.94Å; N500-L504 PolarHBondContact O-N 3.29Å; L504-R506 PolarHBondContact O-N 3.22Å; L504-F507 PolarHBondContact O-N 2.96Å; L504-I508 HydrophobicContact CD1-CD1 3.98Å; L504-I508 HydrophobicContact CD1-CG1 4.18Å; L504-I508 HydrophobicContact CG-CD1 3.87Å; L504-I508 HydrophobicContact CG-CG1 4.46Å; L504-I508 WeakPolarHBondContact O-CG1 3.32Å; L504-I508 PolarHBondContact O-N 3.42Å; L504-L551 HydrophobicContact CB-CD2 4.4Å; L504-L551 HydrophobicContact CD2-CD2 4.15Å; L504-L551 HydrophobicContact CG-CD2 4.27Å; L504-L583 HydrophobicContact CD1-CD2 4.05Å; L504-L583 HydrophobicContact CD2-CD1 4.43Å; L504-L583 HydrophobicContact CD2-CD2 4.4Å; L504-L843 HydrophobicContact CB-CD1 4.08Å; L504-L843 HydrophobicContact CD2-CD1 3.77Å; L504-L843 HydrophobicContact CD2-CD2 3.91Å
505	L	96.2	Very high	96	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-48.9	175.6	176.1	64.6	0	0	0	112.4	Q501 H503 F507 I508 K509 L546 I548 L551	Q501-L505 WeakPolarHBondContact O-CB 3.27Å; Q501-L505 PolarHBondContact O-N 3.29Å; H503-L505 VanDerWaalsContact C-N 3.32Å; H503-L505 PolarHBondContact O-N 3.35Å; L505-F507 VanDerWaalsContact C-N 3.3Å; L505-F507 PolarHBondContact O-N 3.33Å; L505-I508 PolarHBondContact O-N 3.18Å; L505-K509 HydrophobicContact CD1-CD 3.98Å; L505-K509 HydrophobicContact CD1-CG 4.23Å; L505-K509 HydrophobicContact CG-CD 4.2Å; L505-K509 WeakPolarHBondContact O-CG 3.47Å; L505-K509 PolarHBondContact O-N 3.48Å; L505-L546 HydrophobicContact CD1-CB 4.45Å; L505-L546 HydrophobicContact CD1-CD2 3.95Å; L505-L546 HydrophobicContact CD1-CG 3.61Å; L505-I548 HydrophobicContact CD2-CG1 3.59Å; L505-L551 HydrophobicContact CB-CD2 4.37Å
506	R	96	Very high	95.6	Very high	164 Å²	164	45 Å²	45	62%	0.619	21%	0.205	S	C	*	.	H	α-helix	trans	-61.6	-41.3	179.1	-75.1	173.5	69.2	-161.9	0.2	111	K502 H503 L504 K510	K502-R506 HydrophobicContact CD-CG 4.48Å; K502-R506 VanDerWaalsContact O-CG 3.3Å; K502-R506 WeakPolarHBondContact O-CG 3.43Å; K502-R506 PolarHBondContact O-N 3.15Å; H503-R506 PolarHBondContact O-N 3.19Å; H503-R506 VanDerWaalsContact O-N 3.09Å; L504-R506 PolarHBondContact O-N 3.22Å; R506-K510 VanDerWaalsContact O-CB 3.26Å; R506-K510 WeakPolarHBondContact O-CB 3.25Å; R506-K510 PolarHBondContact O-N 3.41Å
507	F	96.3	Very high	95.5	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.035	23%	0.232	C	C	.	.	H	α-helix	trans	-63.4	-48.1	178.7	-174.2	-86.8	0	0	0	111.6	H503 L504 L505 K510 T511 F582 F593 H596 V597	H503-F507 WeakPolarHBondContact O-CB 3.49Å; H503-F507 PolarHBondContact O-N 3.22Å; L504-F507 PolarHBondContact O-N 2.96Å; L505-F507 VanDerWaalsContact C-N 3.3Å; L505-F507 PolarHBondContact O-N 3.33Å; F507-K510 PolarHBondContact O-N 3.45Å; F507-T511 VanDerWaalsContact CE1-OG1 3.29Å; F507-T511 WeakPolarHBondContact CE1-OG1 3.46Å; F507-T511 WeakPolarHBondContact O-CB 3.21Å; F507-T511 PolarHBondContact O-N 3.38Å; F507-T511 PolarHBondContact O-OG1 3.35Å; F507-F582 HydrophobicContact CD1-CD1 4.09Å; F507-F582 HydrophobicContact CD1-CE1 4.23Å; F507-F582 AromaticContact CE1-CD1 3.96Å; F507-F582 HydrophobicContact CE1-CD1 3.96Å; F507-F582 HydrophobicContact CE1-CE1 4.1Å; F507-F593 HydrophobicContact CE1-CB 4.2Å; F507-F593 WeakPolarHBondContact CZ-O 3.5Å; F507-H596 HydrophobicContact CE2-CB 3.75Å; F507-H596 HydrophobicContact CZ-CB 3.69Å; F507-V597 HydrophobicContact CB-CG2 4.35Å; F507-V597 HydrophobicContact CD1-CG2 3.38Å; F507-V597 HydrophobicContact CD2-CG2 3.7Å; F507-V597 HydrophobicContact CE1-CG2 3.44Å; F507-V597 VanDerWaalsContact CE1-CG2 3.44Å; F507-V597 HydrophobicContact CE2-CG2 3.74Å; F507-V597 HydrophobicContact CG-CG2 3.52Å; F507-V597 HydrophobicContact CZ-CG2 3.63Å
508	I	94.8	Very high	95.3	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-49.6	177.8	-67.7	169.5	0	0	0	110.2	L504 L505 K510 T511 I512 L546 L551 F582	L504-I508 HydrophobicContact CD1-CD1 3.98Å; L504-I508 HydrophobicContact CD1-CG1 4.18Å; L504-I508 HydrophobicContact CG-CD1 3.87Å; L504-I508 HydrophobicContact CG-CG1 4.46Å; L504-I508 WeakPolarHBondContact O-CG1 3.32Å; L504-I508 PolarHBondContact O-N 3.42Å; L505-I508 PolarHBondContact O-N 3.18Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.45Å; I508-T511 PolarHBondContact O-N 3.23Å; I508-I512 HydrophobicContact CG2-CD1 3.66Å; I508-I512 HydrophobicContact CG2-CG1 4.34Å; I508-I512 WeakPolarHBondContact O-CG1 3.11Å; I508-I512 PolarHBondContact O-N 3.43Å; I508-L546 HydrophobicContact CB-CD2 4.32Å; I508-L546 HydrophobicContact CG2-CD2 3.6Å; I508-L551 HydrophobicContact CD1-CD1 3.94Å; I508-F582 HydrophobicContact CB-CZ 4.44Å; I508-F582 HydrophobicContact CD1-CD2 4.5Å; I508-F582 HydrophobicContact CG1-CD1 4.02Å; I508-F582 HydrophobicContact CG1-CD2 4.22Å; I508-F582 HydrophobicContact CG1-CE1 3.99Å; I508-F582 HydrophobicContact CG1-CE2 4.2Å; I508-F582 HydrophobicContact CG1-CG 4.14Å; I508-F582 HydrophobicContact CG1-CZ 4.08Å; I508-F582 HydrophobicContact CG2-CE2 4.35Å; I508-F582 HydrophobicContact CG2-CZ 4.16Å
509	K	94.4	Very high	95.1	Very high	47 Å²	47	58 Å²	58	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-41	179.1	-67.9	-177.4	85.2	138.6	0	112.4	L505 R513 L543 L546	L505-K509 HydrophobicContact CD1-CD 3.98Å; L505-K509 HydrophobicContact CD1-CG 4.23Å; L505-K509 HydrophobicContact CG-CD 4.2Å; L505-K509 WeakPolarHBondContact O-CG 3.47Å; L505-K509 PolarHBondContact O-N 3.48Å; K509-R513 VanDerWaalsContact O-CG 3.29Å; K509-R513 WeakPolarHBondContact O-CG 3.48Å; K509-R513 PolarHBondContact O-N 3.46Å; K509-L543 WeakPolarHBondContact CE-O 3.26Å; K509-L543 PolarHBondContact NZ-O 2.94Å; K509-L546 HydrophobicContact CG-CD2 3.89Å; K509-L546 PolarHBondContact NZ-O 3.33Å
510	K	95.2	Very high	95	Very high	114 Å²	114	58 Å²	58	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-43.4	176.2	179.1	-177.2	171.3	-169	0	111.2	R506 F507 I508 R513 T514 E600	R506-K510 VanDerWaalsContact O-CB 3.26Å; R506-K510 WeakPolarHBondContact O-CB 3.25Å; R506-K510 PolarHBondContact O-N 3.41Å; F507-K510 PolarHBondContact O-N 3.45Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.45Å; K510-R513 PolarHBondContact O-N 3.14Å; K510-T514 WeakPolarHBondContact O-CB 3.49Å; K510-T514 WeakPolarHBondContact O-CG2 3.45Å; K510-T514 PolarHBondContact O-N 3.08Å; K510-T514 PolarHBondContact O-OG1 3.3Å; K510-E600 IonicContact NZ-OE1 3.34Å; K510-E600 PolarHBondContact NZ-OE1 2.96Å
511	T	95	Very high	94.7	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-66.5	-45.2	-178.3	-56.7	0	0	0	0	111.4	F507 I508 R513 T514 K515 L532 F582 F593	F507-T511 VanDerWaalsContact CE1-OG1 3.29Å; F507-T511 WeakPolarHBondContact CE1-OG1 3.46Å; F507-T511 WeakPolarHBondContact O-CB 3.21Å; F507-T511 PolarHBondContact O-N 3.38Å; F507-T511 PolarHBondContact O-OG1 3.35Å; I508-T511 PolarHBondContact O-N 3.23Å; T511-R513 VanDerWaalsContact C-N 3.27Å; T511-R513 PolarHBondContact O-N 2.82Å; T511-T514 PolarHBondContact O-N 2.86Å; T511-K515 HydrophobicContact CG2-CB 4.27Å; T511-K515 WeakPolarHBondContact O-CA 3.38Å; T511-K515 WeakPolarHBondContact O-CB 3.42Å; T511-K515 PolarHBondContact O-N 2.91Å; T511-L532 HydrophobicContact CG2-CD2 3.82Å; T511-F582 HydrophobicContact CG2-CE1 4.06Å; T511-F582 HydrophobicContact CG2-CZ 4.47Å; T511-F593 HydrophobicContact CG2-CD1 4.12Å; T511-F593 HydrophobicContact CG2-CD2 4.14Å; T511-F593 HydrophobicContact CG2-CE1 3.74Å; T511-F593 HydrophobicContact CG2-CE2 3.76Å; T511-F593 HydrophobicContact CG2-CG 4.32Å; T511-F593 HydrophobicContact CG2-CZ 3.55Å
512	I	92.3	Very high	94.4	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.087	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-39.8	176.1	-65	166.6	0	0	0	110.9	I508 S516 L532 V536 L543	I508-I512 HydrophobicContact CG2-CD1 3.66Å; I508-I512 HydrophobicContact CG2-CG1 4.34Å; I508-I512 WeakPolarHBondContact O-CG1 3.11Å; I508-I512 PolarHBondContact O-N 3.43Å; I512-S516 WeakPolarHBondContact O-CB 3.44Å; I512-S516 PolarHBondContact O-N 3.08Å; I512-L532 HydrophobicContact CB-CD2 4.47Å; I512-L532 HydrophobicContact CG1-CD1 4.49Å; I512-L532 HydrophobicContact CG1-CD2 3.96Å; I512-L532 HydrophobicContact CG1-CG 4.17Å; I512-V536 HydrophobicContact CD1-CG2 3.71Å; I512-V536 HydrophobicContact CG1-CG2 4Å; I512-L543 HydrophobicContact CB-CD2 3.73Å; I512-L543 HydrophobicContact CD1-CD2 3.95Å; I512-L543 HydrophobicContact CG1-CD2 4.46Å; I512-L543 HydrophobicContact CG2-CD1 3.94Å; I512-L543 HydrophobicContact CG2-CD2 3.56Å; I512-L543 HydrophobicContact CG2-CG 3.82Å
513	R	93.2	Very high	93.8	Very high	175 Å²	175	57.5 Å²	57.5	66%	0.66	27%	0.267	S	S	*	.	H	α-helix	trans	-70.2	-31	178.5	-73.4	173.1	177.7	-178.1	-2.4	114.6	K509 K510 T511 L543	K509-R513 VanDerWaalsContact O-CG 3.29Å; K509-R513 WeakPolarHBondContact O-CG 3.48Å; K509-R513 PolarHBondContact O-N 3.46Å; K510-R513 PolarHBondContact O-N 3.14Å; T511-R513 VanDerWaalsContact C-N 3.27Å; T511-R513 PolarHBondContact O-N 2.82Å; R513-L543 HydrophobicContact CG-CD1 3.87Å
514	T	94.7	Very high	93	Very high	96 Å²	96	60.6 Å²	60.6	59%	0.589	29%	0.289	S	S	*	.	H	α-helix	trans	-105.8	-21.2	-170.2	53.3	0	0	0	0	113.2	K510 T511	K510-T514 WeakPolarHBondContact O-CB 3.49Å; K510-T514 WeakPolarHBondContact O-CG2 3.45Å; K510-T514 PolarHBondContact O-N 3.08Å; K510-T514 PolarHBondContact O-OG1 3.3Å; T511-T514 PolarHBondContact O-N 2.86Å
515	K	93.3	Very high	92.4	Very high	77 Å²	77	69.9 Å²	69.9	34%	0.335	33%	0.329	S	S	.	.			trans	-137.1	34.2	-172.2	-60.6	-170.3	177.6	-172.2	0	111.8	T511 D517 T518 F593	T511-K515 HydrophobicContact CG2-CB 4.27Å; T511-K515 WeakPolarHBondContact O-CA 3.38Å; T511-K515 WeakPolarHBondContact O-CB 3.42Å; T511-K515 PolarHBondContact O-N 2.91Å; K515-D517 PolarHBondContact O-N 3.24Å; K515-T518 WeakPolarHBondContact O-CB 3.48Å; K515-T518 PolarHBondContact O-N 3.21Å; K515-T518 PolarHBondContact O-OG1 3.38Å; K515-F593 HydrophobicContact CB-CZ 4.47Å; K515-F593 HydrophobicContact CD-CE1 3.77Å; K515-F593 HydrophobicContact CD-CZ 4.35Å
516	S	91.1	Very high	92	Very high	33 Å²	33	73.3 Å²	73.3	23%	0.231	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-39.6	178.8	51.7	0	0	0	0	113	I512 T518 L532 S533	I512-S516 WeakPolarHBondContact O-CB 3.44Å; I512-S516 PolarHBondContact O-N 3.08Å; S516-T518 VanDerWaalsContact C-N 3.29Å; S516-T518 PolarHBondContact O-N 3.41Å; S516-L532 PolarHBondContact O-N 3.02Å; S516-S533 PolarHBondContact O-N 2.94Å
517	D	94.1	Very high	91.6	Very high	125 Å²	125	72.4 Å²	72.4	67%	0.668	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.8	-170.5	-50.1	-19.2	0	0	0	112.6	K515 Y519	K515-D517 PolarHBondContact O-N 3.24Å; D517-Y519 PolarHBondContact O-N 3.09Å
518	T	94.1	Very high	91.2	Very high	52 Å²	52	79 Å²	79	32%	0.319	38%	0.38	S	S	.	.	S	Bend	trans	-71.7	128	177.9	-58.1	0	0	0	0	109.4	K515 S516 V520 T531 L532 I589 F593	K515-T518 WeakPolarHBondContact O-CB 3.48Å; K515-T518 PolarHBondContact O-N 3.21Å; K515-T518 PolarHBondContact O-OG1 3.38Å; S516-T518 VanDerWaalsContact C-N 3.29Å; S516-T518 PolarHBondContact O-N 3.41Å; T518-V520 HydrophobicContact CG2-CG1 4.44Å; T518-V520 PolarHBondContact O-N 3.35Å; T518-T531 CarbonylContact O-C 3.54Å; T518-T531 VanDerWaalsContact O-CA 3.29Å; T518-T531 WeakPolarHBondContact O-CA 3.38Å; T518-L532 PolarHBondContact O-N 2.9Å; T518-I589 HydrophobicContact CG2-CG2 4.24Å; T518-F593 HydrophobicContact CG2-CZ 4.39Å
519	Y	94.8	Very high	91.1	Very high	122 Å²	122	81.4 Å²	81.4	48%	0.478	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	122.6	170.8	-64.8	-70.1	0	0	0	110.3	D517 P529 M530 T531 Y588 I589	D517-Y519 PolarHBondContact O-N 3.09Å; Y519-P529 HydrophobicContact CD1-CB 3.64Å; Y519-P529 HydrophobicContact CD1-CG 4.18Å; Y519-P529 HydrophobicContact CE1-CB 4.11Å; Y519-P529 HydrophobicContact CE1-CG 4.15Å; Y519-P529 HydrophobicContact CG-CB 4.09Å; Y519-M530 CarbonylContact C-O 3.57Å; Y519-M530 WeakPolarHBondContact CA-O 3.4Å; Y519-T531 HydrophobicContact CD1-CG2 3.75Å; Y519-T531 HydrophobicContact CE1-CG2 3.62Å; Y519-Y588 WeakPolarHBondContact O-CD1 3.48Å; Y519-I589 WeakPolarHBondContact O-CG2 3.49Å
520	V	94.2	Very high	91	Very high	2 Å²	2	79.6 Å²	79.6	1%	0.012	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-20.4	-171.9	-65.7	0	0	0	0	114.6	T518 M530 L532 L535 V581 Y588 I589 F593	T518-V520 HydrophobicContact CG2-CG1 4.44Å; T518-V520 PolarHBondContact O-N 3.35Å; V520-M530 PolarHBondContact N-O 3.33Å; V520-L532 HydrophobicContact CG1-CB 3.88Å; V520-L532 HydrophobicContact CG1-CD1 4.36Å; V520-L532 HydrophobicContact CG2-CB 4.29Å; V520-L532 HydrophobicContact CG2-CD1 4.39Å; V520-L535 HydrophobicContact CG2-CB 4.26Å; V520-L535 HydrophobicContact CG2-CD2 3.81Å; V520-V581 HydrophobicContact CB-CG1 4.07Å; V520-V581 HydrophobicContact CB-CG2 3.93Å; V520-V581 HydrophobicContact CG1-CG1 4.15Å; V520-V581 HydrophobicContact CG2-CG2 4.15Å; V520-Y588 WeakPolarHBondContact O-CB 3.35Å; V520-I589 HydrophobicContact CG1-CG2 4.44Å; V520-F593 HydrophobicContact CG1-CE2 3.82Å; V520-F593 HydrophobicContact CG1-CZ 4.36Å
521	C	91.2	Very high	91	Very high	10 Å²	10	75 Å²	75	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	167.4	177.6	65.3	0	0	0	0	110.5	M530	C521-M530 PolarHBondContact N-O 3.12Å; C521-M530 WeakPolarHBondContact O-CB 3.21Å; C521-M530 PolarHBondContact O-N 2.87Å
522	E	89.5	Confident	90.9	Very high	95 Å²	95	74.7 Å²	74.7	44%	0.444	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140.5	167.5	-64.9	-178.4	173.9	0	0	109.8	P524 K528 Y588	E522-P524 WeakPolarHBondContact O-CD 3.48Å; E522-K528 WeakPolarHBondContact CA-O 3.33Å; E522-Y588 HydrophobicContact CG-CD2 3.94Å; E522-Y588 HydrophobicContact CG-CE2 3.78Å
523	D	85.3	Confident	90.9	Very high	28 Å²	28	75.9 Å²	75.9	15%	0.15	38%	0.378	C	S	.	.			trans	-66.5	124.4	171.2	-166.2	-56	0	0	0	109.6	K525 T526 K527 K528 M530 K538	D523-K525 PolarHBondContact O-N 3.29Å; D523-K525 VanDerWaalsContact O-N 3.08Å; D523-K525 WeakPolarHBondContact OD1-CB 3Å; D523-K525 PolarHBondContact OD1-N 3.11Å; D523-T526 WeakPolarHBondContact CB-OG1 3.46Å; D523-T526 PolarHBondContact O-N 3.22Å; D523-K527 WeakPolarHBondContact O-CA 3.39Å; D523-K527 PolarHBondContact O-N 3.14Å; D523-K528 PolarHBondContact N-O 3.45Å; D523-M530 HydrophobicContact CB-CE 3.71Å; D523-K538 IonicContact OD1-NZ 3.31Å; D523-K538 IonicContact OD2-NZ 3Å; D523-K538 PolarHBondContact OD2-NZ 2.86Å
524	P	80.9	Confident	90.8	Very high	85 Å²	85	72.2 Å²	72.2	55%	0.552	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.9	179.2	-26.5	34.7	0	0	0	114.3	E522	E522-P524 WeakPolarHBondContact O-CD 3.48Å
525	K	84	Confident	90.7	Very high	194 Å²	194	67.6 Å²	67.6	84%	0.843	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-45.4	-176.7	-63.7	-177.6	179.3	179.9	0	112.8	D523	D523-K525 PolarHBondContact O-N 3.29Å; D523-K525 VanDerWaalsContact O-N 3.08Å; D523-K525 WeakPolarHBondContact OD1-CB 3Å; D523-K525 PolarHBondContact OD1-N 3.11Å
526	T	87.5	Confident	90.5	Very high	82 Å²	82	64.8 Å²	64.8	50%	0.503	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-14	-173	68.3	0	0	0	0	113	D523 K528	D523-T526 WeakPolarHBondContact CB-OG1 3.46Å; D523-T526 PolarHBondContact O-N 3.22Å; T526-K528 PolarHBondContact O-N 3.45Å; T526-K528 VanDerWaalsContact O-N 3.1Å; T526-K528 PolarHBondContact OG1-N 2.69Å
527	K	87	Confident	90.5	Very high	144 Å²	144	68.6 Å²	68.6	63%	0.626	35%	0.347	S	S	*	.			trans	54.5	21.9	-172.5	-61.4	-63.6	-172	174.4	0	113.4	D523	D523-K527 WeakPolarHBondContact O-CA 3.39Å; D523-K527 PolarHBondContact O-N 3.14Å
528	K	90	Very high	90.2	Very high	146 Å²	146	67.5 Å²	67.5	64%	0.635	34%	0.336	S	S	*	.			trans	-92.9	145.8	174.4	-67.8	-173.8	176.8	-175.8	0	109.8	E522 D523 T526	E522-K528 WeakPolarHBondContact CA-O 3.33Å; D523-K528 PolarHBondContact N-O 3.45Å; T526-K528 PolarHBondContact O-N 3.45Å; T526-K528 VanDerWaalsContact O-N 3.1Å; T526-K528 PolarHBondContact OG1-N 2.69Å
529	P	92.3	Very high	89.8	Confident	57 Å²	57	66.8 Å²	66.8	37%	0.37	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138	174	30.7	-36.2	0	0	0	109.7	Y519 Y588	Y519-P529 HydrophobicContact CD1-CB 3.64Å; Y519-P529 HydrophobicContact CD1-CG 4.18Å; Y519-P529 HydrophobicContact CE1-CB 4.11Å; Y519-P529 HydrophobicContact CE1-CG 4.15Å; Y519-P529 HydrophobicContact CG-CB 4.09Å; P529-Y588 WeakPolarHBondContact CB-OH 3.22Å
530	M	92.7	Very high	89.4	Confident	9 Å²	9	63.9 Å²	63.9	4%	0.044	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.3	-177.2	-171	-172.8	-31.8	0	0	109.2	Y519 V520 C521 D523 E534 L535 K538	Y519-M530 CarbonylContact C-O 3.57Å; Y519-M530 WeakPolarHBondContact CA-O 3.4Å; V520-M530 PolarHBondContact N-O 3.33Å; C521-M530 PolarHBondContact N-O 3.12Å; C521-M530 WeakPolarHBondContact O-CB 3.21Å; C521-M530 PolarHBondContact O-N 2.87Å; D523-M530 HydrophobicContact CB-CE 3.71Å; M530-E534 WeakPolarHBondContact CA-OE2 3.25Å; M530-E534 HydrophobicContact CG-CB 3.45Å; M530-E534 VanDerWaalsContact CG-CB 3.45Å; M530-E534 HydrophobicContact SD-CB 4.31Å; M530-L535 VanDerWaalsContact SD-CA 3.55Å; M530-L535 HydrophobicContact SD-CB 3.91Å; M530-L535 HydrophobicContact SD-CD1 4.19Å; M530-K538 HydrophobicContact CE-CD 4.15Å; M530-K538 HydrophobicContact SD-CD 4.13Å
531	T	94.4	Very high	88.8	Confident	19 Å²	19	65.5 Å²	65.5	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	162.6	176.2	62	0	0	0	0	111.7	T518 Y519 S533 E534 L535	T518-T531 CarbonylContact O-C 3.54Å; T518-T531 VanDerWaalsContact O-CA 3.29Å; T518-T531 WeakPolarHBondContact O-CA 3.38Å; Y519-T531 HydrophobicContact CD1-CG2 3.75Å; Y519-T531 HydrophobicContact CE1-CG2 3.62Å; T531-S533 PolarHBondContact O-N 3.07Å; T531-E534 PolarHBondContact N-OE2 3.35Å; T531-E534 PolarHBondContact O-N 2.67Å; T531-E534 WeakPolarHBondContact OG1-CB 3.32Å; T531-E534 WeakPolarHBondContact OG1-CG 3.31Å; T531-E534 PolarHBondContact OG1-N 2.95Å; T531-E534 PolarHBondContact OG1-OE2 3.33Å; T531-L535 PolarHBondContact O-N 3.5Å
532	L	93.3	Very high	88.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.7	-37.5	174	-178.5	59.1	0	0	0	111.4	T511 I512 S516 T518 V520 L535 V536 F582 F593	T511-L532 HydrophobicContact CG2-CD2 3.82Å; I512-L532 HydrophobicContact CB-CD2 4.47Å; I512-L532 HydrophobicContact CG1-CD1 4.49Å; I512-L532 HydrophobicContact CG1-CD2 3.96Å; I512-L532 HydrophobicContact CG1-CG 4.17Å; S516-L532 PolarHBondContact O-N 3.02Å; T518-L532 PolarHBondContact O-N 2.9Å; V520-L532 HydrophobicContact CG1-CB 3.88Å; V520-L532 HydrophobicContact CG1-CD1 4.36Å; V520-L532 HydrophobicContact CG2-CB 4.29Å; V520-L532 HydrophobicContact CG2-CD1 4.39Å; L532-L535 PolarHBondContact O-N 3.42Å; L532-V536 HydrophobicContact CD1-CG2 4.3Å; L532-V536 WeakPolarHBondContact O-CB 3.3Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.5Å; L532-F582 HydrophobicContact CD1-CE2 4.3Å; L532-F582 HydrophobicContact CD1-CZ 4.13Å; L532-F582 HydrophobicContact CD2-CZ 4.5Å; L532-F593 HydrophobicContact CD2-CE2 4.32Å
533	S	91.3	Very high	88.2	Confident	42 Å²	42	66.6 Å²	66.6	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-61.6	-50.9	174.8	-163.8	0	0	0	0	111.5	S516 T531 L535 V536 D537	S516-S533 PolarHBondContact O-N 2.94Å; T531-S533 PolarHBondContact O-N 3.07Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 PolarHBondContact O-N 2.83Å; S533-V536 PolarHBondContact O-N 2.91Å; S533-V536 VanDerWaalsContact O-N 3.11Å; S533-D537 WeakPolarHBondContact O-CB 3.15Å; S533-D537 PolarHBondContact O-N 2.94Å
534	E	92.1	Very high	88.1	Confident	98 Å²	98	75.1 Å²	75.1	46%	0.458	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-35.7	179.7	-71.8	165.9	148.3	0	0	112.2	M530 T531 K538	M530-E534 WeakPolarHBondContact CA-OE2 3.25Å; M530-E534 HydrophobicContact CG-CB 3.45Å; M530-E534 VanDerWaalsContact CG-CB 3.45Å; M530-E534 HydrophobicContact SD-CB 4.31Å; T531-E534 PolarHBondContact N-OE2 3.35Å; T531-E534 PolarHBondContact O-N 2.67Å; T531-E534 WeakPolarHBondContact OG1-CB 3.32Å; T531-E534 WeakPolarHBondContact OG1-CG 3.31Å; T531-E534 PolarHBondContact OG1-N 2.95Å; T531-E534 PolarHBondContact OG1-OE2 3.33Å; E534-K538 VanDerWaalsContact O-CB 3.25Å; E534-K538 WeakPolarHBondContact O-CB 3.17Å; E534-K538 PolarHBondContact O-N 2.91Å
535	L	91.2	Very high	88.3	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-64.4	-45.3	173.9	177.8	62.6	0	0	0	111.5	V520 M530 T531 L532 S533 K538 I539 Q577 L578 V581	V520-L535 HydrophobicContact CG2-CB 4.26Å; V520-L535 HydrophobicContact CG2-CD2 3.81Å; M530-L535 VanDerWaalsContact SD-CA 3.55Å; M530-L535 HydrophobicContact SD-CB 3.91Å; M530-L535 HydrophobicContact SD-CD1 4.19Å; T531-L535 PolarHBondContact O-N 3.5Å; L532-L535 PolarHBondContact O-N 3.42Å; S533-L535 VanDerWaalsContact C-N 3.28Å; S533-L535 PolarHBondContact O-N 2.83Å; L535-K538 PolarHBondContact O-N 3.15Å; L535-I539 HydrophobicContact CD1-CD1 4.18Å; L535-I539 HydrophobicContact CG-CD1 4.11Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.41Å; L535-I539 PolarHBondContact O-N 3.42Å; L535-Q577 HydrophobicContact CD1-CB 4.2Å; L535-L578 HydrophobicContact CD2-CD2 4.32Å; L535-V581 HydrophobicContact CD2-CG2 3.98Å
536	V	90	Very high	88.5	Confident	18 Å²	18	65.5 Å²	65.5	11%	0.109	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-42.2	177.9	170.9	0	0	0	0	110.9	I512 L532 S533 K538 I539 G540 I541	I512-V536 HydrophobicContact CD1-CG2 3.71Å; I512-V536 HydrophobicContact CG1-CG2 4Å; L532-V536 HydrophobicContact CD1-CG2 4.3Å; L532-V536 WeakPolarHBondContact O-CB 3.3Å; L532-V536 WeakPolarHBondContact O-CG2 3.46Å; L532-V536 PolarHBondContact O-N 3.5Å; S533-V536 PolarHBondContact O-N 2.91Å; S533-V536 VanDerWaalsContact O-N 3.11Å; V536-K538 VanDerWaalsContact C-N 3.33Å; V536-K538 PolarHBondContact O-N 3.02Å; V536-I539 PolarHBondContact O-N 2.96Å; V536-G540 PolarHBondContact O-N 3.24Å; V536-I541 WeakPolarHBondContact CG1-O 3.32Å
537	D	90	Very high	88.7	Confident	112 Å²	112	64.5 Å²	64.5	60%	0.599	33%	0.333	S	S	*	.	H	α-helix	trans	-63.5	-39	176.3	-67.6	-28	0	0	0	111.4	S533 G540	S533-D537 WeakPolarHBondContact O-CB 3.15Å; S533-D537 PolarHBondContact O-N 2.94Å; D537-G540 WeakPolarHBondContact O-CA 3.25Å; D537-G540 PolarHBondContact O-N 3.08Å; D537-G540 VanDerWaalsContact O-N 3.12Å
538	K	88	Confident	89	Confident	102 Å²	102	60.1 Å²	60.1	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-66.3	-35.7	175.6	-176.6	175.3	-176	171.2	0	113	D523 M530 E534 L535 V536	D523-K538 IonicContact OD1-NZ 3.31Å; D523-K538 IonicContact OD2-NZ 3Å; D523-K538 PolarHBondContact OD2-NZ 2.86Å; M530-K538 HydrophobicContact CE-CD 4.15Å; M530-K538 HydrophobicContact SD-CD 4.13Å; E534-K538 VanDerWaalsContact O-CB 3.25Å; E534-K538 WeakPolarHBondContact O-CB 3.17Å; E534-K538 PolarHBondContact O-N 2.91Å; L535-K538 PolarHBondContact O-N 3.15Å; V536-K538 VanDerWaalsContact C-N 3.33Å; V536-K538 PolarHBondContact O-N 3.02Å
539	I	87.1	Confident	89	Confident	37 Å²	37	59.5 Å²	59.5	19%	0.19	32%	0.319	C	S	.	.	H	α-helix	trans	-71.5	-25.9	173.9	-65.6	166.4	0	0	0	110.3	L535 V536 I541 Q575 L578	L535-I539 HydrophobicContact CD1-CD1 4.18Å; L535-I539 HydrophobicContact CG-CD1 4.11Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.41Å; L535-I539 PolarHBondContact O-N 3.42Å; V536-I539 PolarHBondContact O-N 2.96Å; I539-I541 HydrophobicContact CG2-CB 4.49Å; I539-I541 HydrophobicContact CG2-CD1 3.69Å; I539-I541 HydrophobicContact CG2-CG1 4Å; I539-Q575 HydrophobicContact CD1-CG 4.45Å; I539-Q575 HydrophobicContact CG1-CG 4.42Å; I539-Q575 HydrophobicContact CG2-CG 4.28Å; I539-L578 HydrophobicContact CD1-CD1 3.87Å; I539-L578 HydrophobicContact CD1-CD2 3.74Å; I539-L578 HydrophobicContact CD1-CG 3.68Å
540	G	86.3	Confident	88.9	Confident	61 Å²	61	60.1 Å²	60.1	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	30.6	174.4	0	0	0	0	0	113.7	V536 D537	V536-G540 PolarHBondContact O-N 3.24Å; D537-G540 WeakPolarHBondContact O-CA 3.25Å; D537-G540 PolarHBondContact O-N 3.08Å; D537-G540 VanDerWaalsContact O-N 3.12Å
541	I	81.4	Confident	88.9	Confident	36 Å²	36	59.7 Å²	59.7	19%	0.185	32%	0.318	C	S	.	.			trans	-119.6	123.5	-176.7	-66.1	175.4	0	0	0	110.1	V536 I539 D545 L546 I573	V536-I541 WeakPolarHBondContact CG1-O 3.32Å; I539-I541 HydrophobicContact CG2-CB 4.49Å; I539-I541 HydrophobicContact CG2-CD1 3.69Å; I539-I541 HydrophobicContact CG2-CG1 4Å; I541-D545 HydrophobicContact CG2-CB 4.35Å; I541-L546 HydrophobicContact CG2-CB 4.3Å; I541-L546 HydrophobicContact CG2-CD1 4.27Å; I541-I573 HydrophobicContact CD1-CB 4.35Å; I541-I573 HydrophobicContact CD1-CD1 3.46Å; I541-I573 VanDerWaalsContact CD1-CD1 3.46Å; I541-I573 HydrophobicContact CD1-CG1 4.35Å; I541-I573 HydrophobicContact CD1-CG2 3.31Å
542	T	83.7	Confident	88.8	Confident	74 Å²	74	62.9 Å²	62.9	45%	0.454	33%	0.334	S	S	.	.			trans	-77.4	154.9	175.7	80.1	0	0	0	0	111.3	Y544 D545 L546	T542-Y544 PolarHBondContact O-N 3.29Å; T542-Y544 VanDerWaalsContact O-N 3.15Å; T542-Y544 PolarHBondContact OG1-N 2.93Å; T542-D545 WeakPolarHBondContact CB-OD2 3.47Å; T542-D545 WeakPolarHBondContact CG2-OD2 3.23Å; T542-D545 PolarHBondContact N-OD2 2.78Å; T542-D545 PolarHBondContact O-N 3.19Å; T542-D545 VanDerWaalsContact O-N 3.09Å; T542-D545 PolarHBondContact OG1-N 3.02Å; T542-D545 VanDerWaalsContact OG1-N 3.15Å; T542-D545 PolarHBondContact OG1-OD1 3.3Å; T542-D545 PolarHBondContact OG1-OD2 2.71Å; T542-L546 PolarHBondContact O-N 2.92Å; T542-L546 VanDerWaalsContact O-N 3.08Å
543	L	83.3	Confident	88.9	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.288	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.6	171.6	-84.8	174.3	0	0	0	113.5	K509 I512 R513	K509-L543 WeakPolarHBondContact CE-O 3.26Å; K509-L543 PolarHBondContact NZ-O 2.94Å; I512-L543 HydrophobicContact CB-CD2 3.73Å; I512-L543 HydrophobicContact CD1-CD2 3.95Å; I512-L543 HydrophobicContact CG1-CD2 4.46Å; I512-L543 HydrophobicContact CG2-CD1 3.94Å; I512-L543 HydrophobicContact CG2-CD2 3.56Å; I512-L543 HydrophobicContact CG2-CG 3.82Å; R513-L543 HydrophobicContact CG-CD1 3.87Å
544	Y	83	Confident	89.1	Confident	206 Å²	206	62.3 Å²	62.3	81%	0.808	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.7	177.8	-174.7	-98.6	0	0	0	110.5	T542 L546	T542-Y544 PolarHBondContact O-N 3.29Å; T542-Y544 VanDerWaalsContact O-N 3.15Å; T542-Y544 PolarHBondContact OG1-N 2.93Å; Y544-L546 VanDerWaalsContact C-N 3.29Å; Y544-L546 PolarHBondContact O-N 3.02Å
545	D	86.1	Confident	89.3	Confident	71 Å²	71	58 Å²	58	38%	0.38	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.4	-178.4	-55.4	-33.9	0	0	0	112.7	I541 T542 N547 N550	I541-D545 HydrophobicContact CG2-CB 4.35Å; T542-D545 WeakPolarHBondContact CB-OD2 3.47Å; T542-D545 WeakPolarHBondContact CG2-OD2 3.23Å; T542-D545 PolarHBondContact N-OD2 2.78Å; T542-D545 PolarHBondContact O-N 3.19Å; T542-D545 VanDerWaalsContact O-N 3.09Å; T542-D545 PolarHBondContact OG1-N 3.02Å; T542-D545 VanDerWaalsContact OG1-N 3.15Å; T542-D545 PolarHBondContact OG1-OD1 3.3Å; T542-D545 PolarHBondContact OG1-OD2 2.71Å; D545-N547 PolarHBondContact O-N 2.98Å; D545-N547 PolarHBondContact O-ND2 3.5Å; D545-N550 PolarHBondContact O-ND2 3.49Å
546	L	88.5	Confident	89.4	Confident	7 Å²	7	61 Å²	61	4%	0.037	32%	0.324	C	S	.	.			trans	-65.9	105.7	178.8	-165.3	68.6	0	0	0	111.2	L505 I508 K509 I541 T542 Y544 I573	L505-L546 HydrophobicContact CD1-CB 4.45Å; L505-L546 HydrophobicContact CD1-CD2 3.95Å; L505-L546 HydrophobicContact CD1-CG 3.61Å; I508-L546 HydrophobicContact CB-CD2 4.32Å; I508-L546 HydrophobicContact CG2-CD2 3.6Å; K509-L546 HydrophobicContact CG-CD2 3.89Å; K509-L546 PolarHBondContact NZ-O 3.33Å; I541-L546 HydrophobicContact CG2-CB 4.3Å; I541-L546 HydrophobicContact CG2-CD1 4.27Å; T542-L546 PolarHBondContact O-N 2.92Å; T542-L546 VanDerWaalsContact O-N 3.08Å; Y544-L546 VanDerWaalsContact C-N 3.29Å; Y544-L546 PolarHBondContact O-N 3.02Å; L546-I573 HydrophobicContact CD1-CD1 3.57Å; L546-I573 HydrophobicContact CD1-CG1 4.33Å
547	N	91.6	Very high	89.6	Confident	61 Å²	61	70.9 Å²	70.9	33%	0.326	36%	0.359	S	S	.	.			trans	-127.6	-178.3	176.5	65.8	44.3	0	0	0	110.1	D545 D549 N550 L551	D545-N547 PolarHBondContact O-N 2.98Å; D545-N547 PolarHBondContact O-ND2 3.5Å; N547-D549 PolarHBondContact OD1-N 2.58Å; N547-N550 PolarHBondContact ND2-ND2 3.39Å; N547-N550 WeakPolarHBondContact OD1-CB 3.48Å; N547-N550 PolarHBondContact OD1-N 3.2Å; N547-L551 PolarHBondContact O-N 2.85Å
548	I	91.8	Very high	89.8	Confident	51 Å²	51	69.5 Å²	69.5	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-43.3	-176.4	-63	178.1	0	0	0	110.8	Q501 K502 L505 N550 L551 D552	Q501-I548 HydrophobicContact CB-CG2 4.35Å; Q501-I548 VanDerWaalsContact CD-CG2 3.42Å; Q501-I548 HydrophobicContact CG-CG2 3.99Å; K502-I548 HydrophobicContact CB-CD1 4.46Å; K502-I548 HydrophobicContact CD-CD1 4.07Å; L505-I548 HydrophobicContact CD2-CG1 3.59Å; I548-N550 PolarHBondContact O-N 2.86Å; I548-L551 VanDerWaalsContact O-CB 3.22Å; I548-L551 WeakPolarHBondContact O-CB 2.98Å; I548-L551 PolarHBondContact O-N 2.98Å; I548-L551 VanDerWaalsContact O-N 3.09Å; I548-D552 PolarHBondContact O-N 3Å
549	D	91.8	Very high	90	Very high	133 Å²	133	64.7 Å²	64.7	71%	0.711	33%	0.33	S	S	*	.	H	α-helix	trans	-65.2	-41.4	-176.7	-52.9	-35.1	0	0	0	111.3	N547 L551 D552	N547-D549 PolarHBondContact OD1-N 2.58Å; D549-L551 PolarHBondContact O-N 3.01Å; D549-D552 PolarHBondContact O-N 2.82Å; D549-D552 VanDerWaalsContact O-N 3.15Å
550	N	89.3	Confident	90.3	Very high	70 Å²	70	65.6 Å²	65.6	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-25	175.6	-73.4	-9.8	0	0	0	112.7	D545 N547 I548 D552	D545-N550 PolarHBondContact O-ND2 3.49Å; N547-N550 PolarHBondContact ND2-ND2 3.39Å; N547-N550 WeakPolarHBondContact OD1-CB 3.48Å; N547-N550 PolarHBondContact OD1-N 3.2Å; I548-N550 PolarHBondContact O-N 2.86Å; N550-D552 VanDerWaalsContact C-N 3.27Å
551	L	91.7	Very high	90.6	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-68.2	-32.4	175.6	-161.9	65.2	0	0	0	110.9	L504 L505 I508 N547 I548 D549 V553 P572 I573	L504-L551 HydrophobicContact CB-CD2 4.4Å; L504-L551 HydrophobicContact CD2-CD2 4.15Å; L504-L551 HydrophobicContact CG-CD2 4.27Å; L505-L551 HydrophobicContact CB-CD2 4.37Å; I508-L551 HydrophobicContact CD1-CD1 3.94Å; N547-L551 PolarHBondContact O-N 2.85Å; I548-L551 VanDerWaalsContact O-CB 3.22Å; I548-L551 WeakPolarHBondContact O-CB 2.98Å; I548-L551 PolarHBondContact O-N 2.98Å; I548-L551 VanDerWaalsContact O-N 3.09Å; D549-L551 PolarHBondContact O-N 3.01Å; L551-V553 HydrophobicContact CB-CG2 4.38Å; L551-V553 HydrophobicContact CD2-CG1 4.39Å; L551-V553 HydrophobicContact CD2-CG2 3.64Å; L551-V553 HydrophobicContact CG-CB 4.49Å; L551-V553 HydrophobicContact CG-CG1 3.88Å; L551-V553 HydrophobicContact CG-CG2 3.84Å; L551-V553 WeakPolarHBondContact O-CG1 3.32Å; L551-V553 PolarHBondContact O-N 2.75Å; L551-V553 VanDerWaalsContact O-N 3.16Å; L551-P572 HydrophobicContact CD1-CB 3.72Å; L551-P572 HydrophobicContact CG-CB 4.47Å; L551-I573 HydrophobicContact CD1-CG1 4.44Å; L551-I573 PolarHBondContact O-N 3.38Å
552	D	93.3	Very high	91.1	Very high	85 Å²	85	71.6 Å²	71.6	46%	0.455	34%	0.339	S	S	.	.			trans	46.9	40.4	177	-162.7	39.4	0	0	0	115.1	I548 D549 N550 K569	I548-D552 PolarHBondContact O-N 3Å; D549-D552 PolarHBondContact O-N 2.82Å; D549-D552 VanDerWaalsContact O-N 3.15Å; N550-D552 VanDerWaalsContact C-N 3.27Å; D552-K569 WeakPolarHBondContact O-CD 3.32Å; D552-K569 IonicContact OD1-NZ 3.3Å; D552-K569 PolarHBondContact OD1-NZ 3.2Å; D552-K569 IonicContact OD2-NZ 3.74Å; D552-K569 PolarHBondContact OD2-NZ 2.91Å
553	V	95.2	Very high	91.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.323	C	S	.	.			trans	-100.4	-5.6	179	-65.7	0	0	0	0	113.4	Q501 L551 K569 P572 L843 Q844	Q501-V553 HydrophobicContact CB-CG2 4.02Å; L551-V553 HydrophobicContact CB-CG2 4.38Å; L551-V553 HydrophobicContact CD2-CG1 4.39Å; L551-V553 HydrophobicContact CD2-CG2 3.64Å; L551-V553 HydrophobicContact CG-CB 4.49Å; L551-V553 HydrophobicContact CG-CG1 3.88Å; L551-V553 HydrophobicContact CG-CG2 3.84Å; L551-V553 WeakPolarHBondContact O-CG1 3.32Å; L551-V553 PolarHBondContact O-N 2.75Å; L551-V553 VanDerWaalsContact O-N 3.16Å; V553-K569 WeakPolarHBondContact CA-O 3.19Å; V553-K569 WeakPolarHBondContact CB-O 3.22Å; V553-K569 WeakPolarHBondContact CG1-O 3.38Å; V553-P572 HydrophobicContact CG1-CB 4.39Å; V553-P572 HydrophobicContact CG1-CG 4.34Å; V553-L843 HydrophobicContact CB-CD1 4.32Å; V553-L843 HydrophobicContact CB-CD2 4.37Å; V553-L843 HydrophobicContact CB-CG 4.15Å; V553-L843 HydrophobicContact CG2-CD1 3.7Å; V553-L843 HydrophobicContact CG2-CG 4.04Å; V553-Q844 VanDerWaalsContact O-CG 3.28Å; V553-Q844 WeakPolarHBondContact O-CG 3.16Å
554	H	96.6	Very high	91.9	Very high	31 Å²	31	70.5 Å²	70.5	14%	0.144	33%	0.33	C	S	.	.	S	Bend	trans	-89.4	137.5	-179.4	-154.8	-84.9	0	0	0	111.2	Q501 K569 Q844 F845 F847	Q501-H554 VanDerWaalsContact CD-CD2 3.41Å; Q501-H554 PolarHBondContact NE2-CD2 2.68Å; H554-K569 WeakPolarHBondContact O-CD 3.26Å; H554-K569 VanDerWaalsContact O-CE 3.26Å; H554-K569 WeakPolarHBondContact O-CE 3.48Å; H554-Q844 PolarHBondContact CD2-O 2.73Å; H554-Q844 PolarHBondContact CE1-O 2.94Å; H554-Q844 VanDerWaalsContact CE1-O 3.31Å; H554-Q844 PolarHBondContact ND1-O 2.75Å; H554-Q844 PolarHBondContact NE2-O 3.3Å; H554-F845 PolarHBondContact NE2-O 3.28Å; H554-F847 AromaticContact CE1-CE1 3.62Å; H554-F847 AromaticContact CE1-CE2 3.77Å; H554-F847 AromaticContact CE1-CZ 3.21Å; H554-F847 WeakPolarHBondContact CE1-CZ 3.24Å; H554-F847 AromaticContact NE2-CE1 3.53Å; H554-F847 AromaticContact NE2-CE2 3.95Å; H554-F847 AromaticContact NE2-CZ 3.51Å
555	A	95.7	Very high	92.4	Very high	7 Å²	7	64.1 Å²	64.1	6%	0.058	31%	0.306	C	S	.	.			trans	-68.9	141.5	170.8	0	0	0	0	0	109.9	T559 Q844 F845	A555-T559 HydrophobicContact CB-CG2 4.13Å; A555-Q844 HydrophobicContact CB-CB 4.37Å; A555-Q844 WeakPolarHBondContact CB-O 3.5Å; A555-Q844 PolarHBondContact N-O 2.92Å; A555-F845 HydrophobicContact CB-CD1 3.84Å; A555-F845 HydrophobicContact CB-CE1 3.64Å
556	D	93.3	Very high	92.8	Very high	64 Å²	64	60.9 Å²	60.9	34%	0.342	29%	0.289	S	S	.	.			trans	-126.6	178.9	178.4	72.2	-7.5	0	0	0	110.4	N558 T559	D556-N558 PolarHBondContact O-N 2.94Å; D556-N558 WeakPolarHBondContact OD1-CA 3.36Å; D556-N558 VanDerWaalsContact OD1-CB 3.28Å; D556-N558 WeakPolarHBondContact OD1-CB 3.48Å; D556-N558 PolarHBondContact OD1-N 2.75Å; D556-N558 PolarHBondContact OD2-ND2 2.81Å; D556-T559 PolarHBondContact N-OG1 3.28Å; D556-T559 WeakPolarHBondContact O-CB 3.21Å; D556-T559 PolarHBondContact O-N 2.81Å; D556-T559 PolarHBondContact O-OG1 3.34Å; D556-T559 PolarHBondContact OD1-N 2.84Å; D556-T559 VanDerWaalsContact OD1-N 3.1Å; D556-T559 PolarHBondContact OD1-OG1 2.95Å
557	R	93.2	Very high	93	Very high	225 Å²	225	63.8 Å²	63.8	85%	0.849	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.6	174.7	65.3	-180	174.2	-175.3	-3.8	114.2	T559	R557-T559 VanDerWaalsContact C-N 3.26Å
558	N	94.2	Very high	93.1	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.444	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-9.3	179.7	-56.5	-51.6	0	0	0	112.6	D556 K565	D556-N558 PolarHBondContact O-N 2.94Å; D556-N558 WeakPolarHBondContact OD1-CA 3.36Å; D556-N558 VanDerWaalsContact OD1-CB 3.28Å; D556-N558 WeakPolarHBondContact OD1-CB 3.48Å; D556-N558 PolarHBondContact OD1-N 2.75Å; D556-N558 PolarHBondContact OD2-ND2 2.81Å; N558-K565 VanDerWaalsContact O-CD 3.25Å; N558-K565 WeakPolarHBondContact O-CD 3.37Å; N558-K565 PolarHBondContact O-NZ 3.19Å
559	T	93	Very high	93.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-17.3	176.4	-49.4	0	0	0	0	111.4	A555 D556 R557 H561 R562 F566 S815 L816	A555-T559 HydrophobicContact CB-CG2 4.13Å; D556-T559 PolarHBondContact N-OG1 3.28Å; D556-T559 WeakPolarHBondContact O-CB 3.21Å; D556-T559 PolarHBondContact O-N 2.81Å; D556-T559 PolarHBondContact O-OG1 3.34Å; D556-T559 PolarHBondContact OD1-N 2.84Å; D556-T559 VanDerWaalsContact OD1-N 3.1Å; D556-T559 PolarHBondContact OD1-OG1 2.95Å; R557-T559 VanDerWaalsContact C-N 3.26Å; T559-H561 PolarHBondContact O-N 3.02Å; T559-R562 CarbonylContact O-C 3.51Å; T559-R562 WeakPolarHBondContact O-CA 3.38Å; T559-R562 PolarHBondContact O-N 3.05Å; T559-F566 HydrophobicContact CG2-CB 3.64Å; T559-S815 CarbonylContact C-O 3.58Å; T559-L816 HydrophobicContact CG2-CD2 3.83Å
560	F	93.4	Very high	93.4	Very high	56 Å²	56	56.2 Å²	56.2	25%	0.246	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	128.2	175.4	-162.1	-107.7	0	0	0	111.3	R562 N814 S815	F560-R562 PolarHBondContact O-N 3.42Å; F560-N814 WeakPolarHBondContact CD2-O 3.36Å; F560-N814 WeakPolarHBondContact CE2-O 3.45Å; F560-S815 VanDerWaalsContact CA-O 3.3Å; F560-S815 WeakPolarHBondContact CA-O 3.29Å; F560-S815 PolarHBondContact N-O 3.01Å
561	H	91.8	Very high	93.7	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.546	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	22.8	-170.1	-64.3	-50	0	0	0	115.1	T559 L816 F817	T559-H561 PolarHBondContact O-N 3.02Å; H561-L816 WeakPolarHBondContact CA-O 3.49Å; H561-L816 PolarHBondContact N-O 2.9Å; H561-F817 PolarHBondContact CE1-O 3.22Å
562	R	93.2	Very high	93.8	Very high	105 Å²	105	54.5 Å²	54.5	40%	0.396	26%	0.26	S	S	.	.			trans	-133.1	69.3	-177.7	-67.4	-61	-58.9	-91.9	-0.3	111.3	T559 F560 D564 K565 F566	T559-R562 CarbonylContact O-C 3.51Å; T559-R562 WeakPolarHBondContact O-CA 3.38Å; T559-R562 PolarHBondContact O-N 3.05Å; F560-R562 PolarHBondContact O-N 3.42Å; R562-D564 WeakPolarHBondContact CA-OD1 3.23Å; R562-D564 WeakPolarHBondContact CB-OD1 3.5Å; R562-D564 IonicContact CZ-OD1 3.91Å; R562-D564 IonicContact CZ-OD2 3Å; R562-D564 IonicContact NE-OD1 3.24Å; R562-D564 PolarHBondContact NE-OD1 2.89Å; R562-D564 IonicContact NE-OD2 2.71Å; R562-D564 PolarHBondContact NE-OD2 3.24Å; R562-D564 IonicContact NH2-OD1 2.89Å; R562-D564 IonicContact NH2-OD2 3.89Å; R562-D564 PolarHBondContact NH2-OD2 3.34Å; R562-D564 PolarHBondContact O-N 3.4Å; R562-K565 HydrophobicContact CB-CB 4.08Å; R562-K565 HydrophobicContact CB-CD 3.9Å; R562-K565 HydrophobicContact CB-CG 4.01Å; R562-K565 HydrophobicContact CG-CD 4.3Å; R562-K565 WeakPolarHBondContact O-CB 3.45Å; R562-K565 PolarHBondContact O-N 2.89Å; R562-F566 PolarHBondContact O-N 3.26Å; R562-F566 VanDerWaalsContact O-N 3.11Å
563	F	92	Very high	93.7	Very high	24 Å²	24	52.2 Å²	52.2	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-26.9	177.9	-161	-86.7	0	0	0	112.6	F566 N567 D705 L816 F817	F563-F566 HydrophobicContact CD1-CD1 4.38Å; F563-F566 HydrophobicContact CD2-CD1 4.08Å; F563-F566 HydrophobicContact CE1-CD1 4.13Å; F563-F566 HydrophobicContact CE1-CE1 4.48Å; F563-F566 AromaticContact CE2-CD1 3.82Å; F563-F566 HydrophobicContact CE2-CD1 3.82Å; F563-F566 HydrophobicContact CE2-CE1 4.03Å; F563-F566 HydrophobicContact CG-CD1 4.37Å; F563-F566 AromaticContact CZ-CD1 3.85Å; F563-F566 HydrophobicContact CZ-CD1 3.85Å; F563-F566 AromaticContact CZ-CE1 3.9Å; F563-F566 HydrophobicContact CZ-CE1 3.9Å; F563-F566 WeakPolarHBondContact O-CB 3.37Å; F563-F566 PolarHBondContact O-N 2.98Å; F563-N567 WeakPolarHBondContact CD1-ND2 3.47Å; F563-N567 PolarHBondContact O-N 2.96Å; F563-N567 PolarHBondContact O-ND2 3.45Å; F563-D705 HydrophobicContact CB-CB 4.14Å; F563-D705 HydrophobicContact CD1-CB 3.45Å; F563-D705 VanDerWaalsContact CD1-CB 3.45Å; F563-D705 HydrophobicContact CE1-CB 4Å; F563-D705 HydrophobicContact CG-CB 3.86Å; F563-L816 HydrophobicContact CD2-CD1 4.42Å; F563-L816 HydrophobicContact CE2-CD1 4.38Å; F563-F817 HydrophobicContact CB-CZ 4.4Å; F563-F817 AromaticContact CD2-CE2 4Å; F563-F817 HydrophobicContact CD2-CE2 4Å; F563-F817 AromaticContact CD2-CZ 3.73Å; F563-F817 HydrophobicContact CD2-CZ 3.73Å; F563-F817 HydrophobicContact CE2-CE2 4.48Å; F563-F817 HydrophobicContact CG-CZ 4.47Å
564	D	91.3	Very high	93.4	Very high	82 Å²	82	54.5 Å²	54.5	44%	0.439	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-39.9	171.5	66.9	-46.4	0	0	0	112.9	R562 N567 A568	R562-D564 WeakPolarHBondContact CA-OD1 3.23Å; R562-D564 WeakPolarHBondContact CB-OD1 3.5Å; R562-D564 IonicContact CZ-OD1 3.91Å; R562-D564 IonicContact CZ-OD2 3Å; R562-D564 IonicContact NE-OD1 3.24Å; R562-D564 PolarHBondContact NE-OD1 2.89Å; R562-D564 IonicContact NE-OD2 2.71Å; R562-D564 PolarHBondContact NE-OD2 3.24Å; R562-D564 IonicContact NH2-OD1 2.89Å; R562-D564 IonicContact NH2-OD2 3.89Å; R562-D564 PolarHBondContact NH2-OD2 3.34Å; R562-D564 PolarHBondContact O-N 3.4Å; D564-N567 PolarHBondContact O-N 3.18Å; D564-A568 PolarHBondContact O-N 2.9Å
565	K	93.9	Very high	93.1	Very high	72 Å²	72	56.8 Å²	56.8	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-70.8	-38	173.6	-69.2	-176.1	-179.8	-179.9	0	111.7	N558 R562 N567 A568 K569	N558-K565 VanDerWaalsContact O-CD 3.25Å; N558-K565 WeakPolarHBondContact O-CD 3.37Å; N558-K565 PolarHBondContact O-NZ 3.19Å; R562-K565 HydrophobicContact CB-CB 4.08Å; R562-K565 HydrophobicContact CB-CD 3.9Å; R562-K565 HydrophobicContact CB-CG 4.01Å; R562-K565 HydrophobicContact CG-CD 4.3Å; R562-K565 WeakPolarHBondContact O-CB 3.45Å; R562-K565 PolarHBondContact O-N 2.89Å; K565-N567 VanDerWaalsContact C-N 3.34Å; K565-A568 WeakPolarHBondContact O-CB 3.39Å; K565-A568 PolarHBondContact O-N 3.34Å; K565-A568 VanDerWaalsContact O-N 3.1Å; K565-K569 WeakPolarHBondContact O-CG 3.46Å; K565-K569 PolarHBondContact O-N 2.81Å
566	F	93.9	Very high	93	Very high	4 Å²	4	60 Å²	60	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-46.7	172.8	168.5	-102.9	0	0	0	111.2	T559 R562 F563 A568 K569 Y570 L816 D841 Q844 F845	T559-F566 HydrophobicContact CG2-CB 3.64Å; R562-F566 PolarHBondContact O-N 3.26Å; R562-F566 VanDerWaalsContact O-N 3.11Å; F563-F566 HydrophobicContact CD1-CD1 4.38Å; F563-F566 HydrophobicContact CD2-CD1 4.08Å; F563-F566 HydrophobicContact CE1-CD1 4.13Å; F563-F566 HydrophobicContact CE1-CE1 4.48Å; F563-F566 AromaticContact CE2-CD1 3.82Å; F563-F566 HydrophobicContact CE2-CD1 3.82Å; F563-F566 HydrophobicContact CE2-CE1 4.03Å; F563-F566 HydrophobicContact CG-CD1 4.37Å; F563-F566 AromaticContact CZ-CD1 3.85Å; F563-F566 HydrophobicContact CZ-CD1 3.85Å; F563-F566 AromaticContact CZ-CE1 3.9Å; F563-F566 HydrophobicContact CZ-CE1 3.9Å; F563-F566 WeakPolarHBondContact O-CB 3.37Å; F563-F566 PolarHBondContact O-N 2.98Å; F566-A568 PolarHBondContact O-N 2.73Å; F566-K569 WeakPolarHBondContact O-CA 3.46Å; F566-K569 VanDerWaalsContact O-CB 3.25Å; F566-K569 WeakPolarHBondContact O-CB 3.34Å; F566-K569 PolarHBondContact O-N 2.66Å; F566-Y570 HydrophobicContact CD1-CE2 4.37Å; F566-Y570 AromaticContact CE1-CE2 3.7Å; F566-Y570 HydrophobicContact CE1-CE2 3.7Å; F566-Y570 HydrophobicContact CE2-CE2 4.45Å; F566-Y570 AromaticContact CZ-CE2 3.72Å; F566-Y570 HydrophobicContact CZ-CE2 3.72Å; F566-L816 HydrophobicContact CB-CD2 3.77Å; F566-L816 HydrophobicContact CD2-CD1 4.41Å; F566-L816 HydrophobicContact CD2-CD2 3.84Å; F566-L816 HydrophobicContact CG-CD1 4.45Å; F566-L816 HydrophobicContact CG-CD2 3.83Å; F566-D841 HydrophobicContact CE2-CB 4.47Å; F566-D841 HydrophobicContact CZ-CB 4.45Å; F566-D841 VanDerWaalsContact CZ-OD2 3.24Å; F566-D841 WeakPolarHBondContact CZ-OD2 3.47Å; F566-Q844 HydrophobicContact CD2-CB 4.47Å; F566-Q844 HydrophobicContact CD2-CG 4.11Å; F566-Q844 HydrophobicContact CE2-CB 3.95Å; F566-Q844 HydrophobicContact CE2-CG 3.68Å; F566-F845 HydrophobicContact CD2-CE1 4.41Å; F566-F845 HydrophobicContact CD2-CZ 4.06Å; F566-F845 HydrophobicContact CE2-CE1 4.24Å; F566-F845 HydrophobicContact CE2-CE2 4.19Å; F566-F845 AromaticContact CE2-CZ 3.55Å; F566-F845 HydrophobicContact CE2-CZ 3.55Å; F566-F845 HydrophobicContact CZ-CZ 4.37Å
567	N	92.8	Very high	92.9	Very high	67 Å²	67	59 Å²	59	36%	0.358	30%	0.297	S	S	.	.	H	α-helix	trans	-57.3	-33.9	174	-79.9	-32.6	0	0	0	113.2	F563 D564 K565 K569 Y570	F563-N567 WeakPolarHBondContact CD1-ND2 3.47Å; F563-N567 PolarHBondContact O-N 2.96Å; F563-N567 PolarHBondContact O-ND2 3.45Å; D564-N567 PolarHBondContact O-N 3.18Å; K565-N567 VanDerWaalsContact C-N 3.34Å; N567-K569 VanDerWaalsContact C-N 3.3Å; N567-K569 PolarHBondContact O-N 2.66Å; N567-Y570 PolarHBondContact O-N 2.97Å
568	A	94.1	Very high	92.9	Very high	51 Å²	51	48.6 Å²	48.6	42%	0.421	26%	0.259	S	S	.	.	H	α-helix	trans	-68.3	-28.4	175.7	0	0	0	0	0	112.8	D564 K565 F566 Y570 N571	D564-A568 PolarHBondContact O-N 2.9Å; K565-A568 WeakPolarHBondContact O-CB 3.39Å; K565-A568 PolarHBondContact O-N 3.34Å; K565-A568 VanDerWaalsContact O-N 3.1Å; F566-A568 PolarHBondContact O-N 2.73Å; A568-Y570 PolarHBondContact O-N 3.46Å; A568-N571 WeakPolarHBondContact O-CB 3.37Å; A568-N571 PolarHBondContact O-N 2.99Å
569	K	95.4	Very high	92.9	Very high	18 Å²	18	47.7 Å²	47.7	8%	0.078	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.8	176.4	-60.4	-58.5	-178.8	-175.5	0	114.1	D552 V553 H554 K565 F566 N567 N571 Q844	D552-K569 WeakPolarHBondContact O-CD 3.32Å; D552-K569 IonicContact OD1-NZ 3.3Å; D552-K569 PolarHBondContact OD1-NZ 3.2Å; D552-K569 IonicContact OD2-NZ 3.74Å; D552-K569 PolarHBondContact OD2-NZ 2.91Å; V553-K569 WeakPolarHBondContact CA-O 3.19Å; V553-K569 WeakPolarHBondContact CB-O 3.22Å; V553-K569 WeakPolarHBondContact CG1-O 3.38Å; H554-K569 WeakPolarHBondContact O-CD 3.26Å; H554-K569 VanDerWaalsContact O-CE 3.26Å; H554-K569 WeakPolarHBondContact O-CE 3.48Å; K565-K569 WeakPolarHBondContact O-CG 3.46Å; K565-K569 PolarHBondContact O-N 2.81Å; F566-K569 WeakPolarHBondContact O-CA 3.46Å; F566-K569 VanDerWaalsContact O-CB 3.25Å; F566-K569 WeakPolarHBondContact O-CB 3.34Å; F566-K569 PolarHBondContact O-N 2.66Å; N567-K569 VanDerWaalsContact C-N 3.3Å; N567-K569 PolarHBondContact O-N 2.66Å; K569-N571 PolarHBondContact O-N 2.95Å; K569-Q844 HydrophobicContact CB-CG 3.99Å; K569-Q844 PolarHBondContact O-NE2 3.22Å
570	Y	94.8	Very high	93	Very high	17 Å²	17	52 Å²	52	7%	0.067	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.2	169.2	-76.5	-90.9	0	0	0	113.6	S496 S497 F566 N567 A568 P572 R579 D841	S496-Y570 WeakPolarHBondContact OG-CE1 3.44Å; S497-Y570 WeakPolarHBondContact OG-CE1 3.41Å; F566-Y570 HydrophobicContact CD1-CE2 4.37Å; F566-Y570 AromaticContact CE1-CE2 3.7Å; F566-Y570 HydrophobicContact CE1-CE2 3.7Å; F566-Y570 HydrophobicContact CE2-CE2 4.45Å; F566-Y570 AromaticContact CZ-CE2 3.72Å; F566-Y570 HydrophobicContact CZ-CE2 3.72Å; N567-Y570 PolarHBondContact O-N 2.97Å; A568-Y570 PolarHBondContact O-N 3.46Å; Y570-P572 VanDerWaalsContact O-CD 3.3Å; Y570-P572 WeakPolarHBondContact O-CD 3.34Å; Y570-R579 WeakPolarHBondContact O-CB 3.45Å; Y570-R579 VanDerWaalsContact O-CD 3.29Å; Y570-R579 WeakPolarHBondContact O-CD 3.48Å; Y570-R579 VanDerWaalsContact O-CG 3.27Å; Y570-R579 WeakPolarHBondContact O-CG 3.47Å; Y570-D841 PolarHBondContact OH-OD1 2.81Å
571	N	95	Very high	93.1	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	26%	0.258	C	S	.	.	S	Bend	trans	-101.2	102.7	178.8	-59.3	-34.7	0	0	0	109	A568 K569 I573 G574 R579	A568-N571 WeakPolarHBondContact O-CB 3.37Å; A568-N571 PolarHBondContact O-N 2.99Å; K569-N571 PolarHBondContact O-N 2.95Å; N571-I573 PolarHBondContact O-N 3.29Å; N571-G574 WeakPolarHBondContact O-CA 3.35Å; N571-G574 PolarHBondContact O-N 3.48Å; N571-R579 WeakPolarHBondContact OD1-CD 3.46Å
572	P	92.9	Very high	93.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-52.9	129.3	174.4	-26.4	35.8	0	0	0	110.8	L551 V553 Y570 G574 Q575 L578 L583	L551-P572 HydrophobicContact CD1-CB 3.72Å; L551-P572 HydrophobicContact CG-CB 4.47Å; V553-P572 HydrophobicContact CG1-CB 4.39Å; V553-P572 HydrophobicContact CG1-CG 4.34Å; Y570-P572 VanDerWaalsContact O-CD 3.3Å; Y570-P572 WeakPolarHBondContact O-CD 3.34Å; P572-G574 PolarHBondContact O-N 2.83Å; P572-G574 VanDerWaalsContact O-N 3.16Å; P572-Q575 PolarHBondContact O-N 3.02Å; P572-L578 HydrophobicContact CB-CB 3.95Å; P572-L578 HydrophobicContact CB-CD1 4.16Å; P572-L578 HydrophobicContact CG-CB 4.19Å; P572-L583 HydrophobicContact CG-CD1 4.21Å
573	I	91.7	Very high	93.5	Very high	38 Å²	38	39 Å²	39	20%	0.195	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	60.5	21.6	-178.1	-36.5	-179.8	0	0	0	112.1	I541 L546 L551 N571 Q575 L578	I541-I573 HydrophobicContact CD1-CB 4.35Å; I541-I573 HydrophobicContact CD1-CD1 3.46Å; I541-I573 VanDerWaalsContact CD1-CD1 3.46Å; I541-I573 HydrophobicContact CD1-CG1 4.35Å; I541-I573 HydrophobicContact CD1-CG2 3.31Å; L546-I573 HydrophobicContact CD1-CD1 3.57Å; L546-I573 HydrophobicContact CD1-CG1 4.33Å; L551-I573 HydrophobicContact CD1-CG1 4.44Å; L551-I573 PolarHBondContact O-N 3.38Å; N571-I573 PolarHBondContact O-N 3.29Å; I573-Q575 HydrophobicContact CB-CG 4.42Å; I573-Q575 PolarHBondContact O-N 2.83Å; I573-L578 HydrophobicContact CB-CD1 4.32Å; I573-L578 HydrophobicContact CD1-CD1 3.62Å; I573-L578 HydrophobicContact CG1-CD1 3.88Å
574	G	89.9	Confident	93.7	Very high	48 Å²	48	40 Å²	40	50%	0.495	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	67.7	10.7	-171.3	0	0	0	0	0	114.6	N571 P572	N571-G574 WeakPolarHBondContact O-CA 3.35Å; N571-G574 PolarHBondContact O-N 3.48Å; P572-G574 PolarHBondContact O-N 2.83Å; P572-G574 VanDerWaalsContact O-N 3.16Å
575	Q	90.8	Very high	94	Very high	79 Å²	79	37.6 Å²	37.6	37%	0.369	21%	0.207	S	C	.	.			trans	-100.2	116.6	-176.3	-60.6	-57.4	-35	0	0	111.9	I539 P572 I573 Q577 L578 R579	I539-Q575 HydrophobicContact CD1-CG 4.45Å; I539-Q575 HydrophobicContact CG1-CG 4.42Å; I539-Q575 HydrophobicContact CG2-CG 4.28Å; P572-Q575 PolarHBondContact O-N 3.02Å; I573-Q575 HydrophobicContact CB-CG 4.42Å; I573-Q575 PolarHBondContact O-N 2.83Å; Q575-Q577 PolarHBondContact O-N 3.24Å; Q575-L578 HydrophobicContact CB-CB 4.44Å; Q575-L578 HydrophobicContact CB-CD1 4.28Å; Q575-L578 HydrophobicContact CB-CG 4.18Å; Q575-L578 PolarHBondContact O-N 3.45Å; Q575-R579 PolarHBondContact O-N 3.14Å
576	S	92	Very high	94	Very high	75 Å²	75	38.8 Å²	38.8	52%	0.524	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-28.9	177.8	62.5	0	0	0	0	112.9	L578 R579 E580	S576-L578 VanDerWaalsContact C-N 3.34Å; S576-L578 PolarHBondContact O-N 2.81Å; S576-R579 WeakPolarHBondContact O-CB 3.46Å; S576-R579 PolarHBondContact O-N 3.34Å; S576-E580 PolarHBondContact O-N 3.42Å
577	Q	91.3	Very high	94	Very high	41 Å²	41	39.3 Å²	39.3	19%	0.192	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-38.7	177	-63.6	-172.7	-51.5	0	0	111.7	L535 Q575 E580 V581	L535-Q577 HydrophobicContact CD1-CB 4.2Å; Q575-Q577 PolarHBondContact O-N 3.24Å; Q577-E580 PolarHBondContact O-N 3.01Å; Q577-V581 VanDerWaalsContact O-CG2 3.31Å; Q577-V581 WeakPolarHBondContact O-CG2 3.42Å; Q577-V581 PolarHBondContact O-N 3.42Å
578	L	92.9	Very high	94.1	Very high	8 Å²	8	41 Å²	41	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-68.5	-37.2	176.1	-69.1	-178.6	0	0	0	111.7	L535 I539 P572 I573 Q575 S576 E580 V581 F582	L535-L578 HydrophobicContact CD2-CD2 4.32Å; I539-L578 HydrophobicContact CD1-CD1 3.87Å; I539-L578 HydrophobicContact CD1-CD2 3.74Å; I539-L578 HydrophobicContact CD1-CG 3.68Å; P572-L578 HydrophobicContact CB-CB 3.95Å; P572-L578 HydrophobicContact CB-CD1 4.16Å; P572-L578 HydrophobicContact CG-CB 4.19Å; I573-L578 HydrophobicContact CB-CD1 4.32Å; I573-L578 HydrophobicContact CD1-CD1 3.62Å; I573-L578 HydrophobicContact CG1-CD1 3.88Å; Q575-L578 HydrophobicContact CB-CB 4.44Å; Q575-L578 HydrophobicContact CB-CD1 4.28Å; Q575-L578 HydrophobicContact CB-CG 4.18Å; Q575-L578 PolarHBondContact O-N 3.45Å; S576-L578 VanDerWaalsContact C-N 3.34Å; S576-L578 PolarHBondContact O-N 2.81Å; L578-E580 VanDerWaalsContact C-N 3.34Å; L578-V581 PolarHBondContact O-N 2.81Å; L578-F582 HydrophobicContact CD2-CD2 4.35Å; L578-F582 HydrophobicContact CD2-CE2 4.08Å; L578-F582 WeakPolarHBondContact O-CB 3.41Å; L578-F582 WeakPolarHBondContact O-CD2 3.33Å; L578-F582 PolarHBondContact O-N 3.5Å
579	R	95.4	Very high	94.1	Very high	63 Å²	63	39.6 Å²	39.6	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-45.7	171.6	-179.4	-177.5	-178.9	177.1	6.2	111.2	Y570 N571 Q575 S576 L583 K584	Y570-R579 WeakPolarHBondContact O-CB 3.45Å; Y570-R579 VanDerWaalsContact O-CD 3.29Å; Y570-R579 WeakPolarHBondContact O-CD 3.48Å; Y570-R579 VanDerWaalsContact O-CG 3.27Å; Y570-R579 WeakPolarHBondContact O-CG 3.47Å; N571-R579 WeakPolarHBondContact OD1-CD 3.46Å; Q575-R579 PolarHBondContact O-N 3.14Å; S576-R579 WeakPolarHBondContact O-CB 3.46Å; S576-R579 PolarHBondContact O-N 3.34Å; R579-L583 HydrophobicContact CG-CB 4.22Å; R579-L583 CarbonylContact O-C 3.58Å; R579-L583 VanDerWaalsContact O-CA 3.32Å; R579-L583 WeakPolarHBondContact O-CA 3.25Å; R579-L583 WeakPolarHBondContact O-CB 3.47Å; R579-L583 PolarHBondContact O-N 3.47Å; R579-K584 PolarHBondContact O-N 3.16Å
580	E	94.3	Very high	94.1	Very high	92 Å²	92	45.3 Å²	45.3	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-45	178.5	-171.5	177.3	163.9	0	0	111.6	S576 Q577 L578 K584 N587	S576-E580 PolarHBondContact O-N 3.42Å; Q577-E580 PolarHBondContact O-N 3.01Å; L578-E580 VanDerWaalsContact C-N 3.34Å; E580-K584 WeakPolarHBondContact O-CB 3.07Å; E580-N587 HydrophobicContact CG-CB 3.94Å; E580-N587 PolarHBondContact O-ND2 3.25Å
581	V	95.2	Very high	94.2	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-42.6	-178.6	171.2	0	0	0	0	112.7	V520 L535 Q577 L578 N587 F593	V520-V581 HydrophobicContact CB-CG1 4.07Å; V520-V581 HydrophobicContact CB-CG2 3.93Å; V520-V581 HydrophobicContact CG1-CG1 4.15Å; V520-V581 HydrophobicContact CG2-CG2 4.15Å; L535-V581 HydrophobicContact CD2-CG2 3.98Å; Q577-V581 VanDerWaalsContact O-CG2 3.31Å; Q577-V581 WeakPolarHBondContact O-CG2 3.42Å; Q577-V581 PolarHBondContact O-N 3.42Å; L578-V581 PolarHBondContact O-N 2.81Å; V581-N587 PolarHBondContact O-ND2 3.22Å; V581-F593 HydrophobicContact CG1-CD2 3.69Å; V581-F593 HydrophobicContact CG1-CE2 3.98Å
582	F	96.5	Very high	94.3	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-104	-24	-169.9	-71.1	-77.6	0	0	0	115.5	F507 I508 T511 L532 L578 F593 F594	F507-F582 HydrophobicContact CD1-CD1 4.09Å; F507-F582 HydrophobicContact CD1-CE1 4.23Å; F507-F582 AromaticContact CE1-CD1 3.96Å; F507-F582 HydrophobicContact CE1-CD1 3.96Å; F507-F582 HydrophobicContact CE1-CE1 4.1Å; I508-F582 HydrophobicContact CB-CZ 4.44Å; I508-F582 HydrophobicContact CD1-CD2 4.5Å; I508-F582 HydrophobicContact CG1-CD1 4.02Å; I508-F582 HydrophobicContact CG1-CD2 4.22Å; I508-F582 HydrophobicContact CG1-CE1 3.99Å; I508-F582 HydrophobicContact CG1-CE2 4.2Å; I508-F582 HydrophobicContact CG1-CG 4.14Å; I508-F582 HydrophobicContact CG1-CZ 4.08Å; I508-F582 HydrophobicContact CG2-CE2 4.35Å; I508-F582 HydrophobicContact CG2-CZ 4.16Å; T511-F582 HydrophobicContact CG2-CE1 4.06Å; T511-F582 HydrophobicContact CG2-CZ 4.47Å; L532-F582 HydrophobicContact CD1-CE2 4.3Å; L532-F582 HydrophobicContact CD1-CZ 4.13Å; L532-F582 HydrophobicContact CD2-CZ 4.5Å; L578-F582 HydrophobicContact CD2-CD2 4.35Å; L578-F582 HydrophobicContact CD2-CE2 4.08Å; L578-F582 WeakPolarHBondContact O-CB 3.41Å; L578-F582 WeakPolarHBondContact O-CD2 3.33Å; L578-F582 PolarHBondContact O-N 3.5Å; F582-F593 HydrophobicContact CD1-CB 4.11Å; F582-F593 HydrophobicContact CD1-CD2 4.13Å; F582-F593 HydrophobicContact CD1-CG 4.47Å; F582-F593 AromaticContact CE1-CD2 3.86Å; F582-F593 HydrophobicContact CE1-CD2 3.86Å; F582-F593 HydrophobicContact CE1-CE2 4.46Å; F582-F593 HydrophobicContact CE1-CG 4.4Å; F582-F593 HydrophobicContact CZ-CD2 4.37Å; F582-F594 VanDerWaalsContact O-CA 3.32Å; F582-F594 WeakPolarHBondContact O-CA 3.4Å; F582-F594 WeakPolarHBondContact O-CB 3.5Å; F582-F594 WeakPolarHBondContact O-CD2 3.41Å
583	L	96.8	Very high	94.5	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-128.2	20.5	-168.3	-53.5	178.1	0	0	0	113.3	M499 L504 P572 R579 F594 L843	M499-L583 HydrophobicContact CE-CD2 4.04Å; M499-L583 HydrophobicContact SD-CD2 4.32Å; L504-L583 HydrophobicContact CD1-CD2 4.05Å; L504-L583 HydrophobicContact CD2-CD1 4.43Å; L504-L583 HydrophobicContact CD2-CD2 4.4Å; P572-L583 HydrophobicContact CG-CD1 4.21Å; R579-L583 HydrophobicContact CG-CB 4.22Å; R579-L583 CarbonylContact O-C 3.58Å; R579-L583 VanDerWaalsContact O-CA 3.32Å; R579-L583 WeakPolarHBondContact O-CA 3.25Å; R579-L583 WeakPolarHBondContact O-CB 3.47Å; R579-L583 PolarHBondContact O-N 3.47Å; L583-F594 HydrophobicContact CD2-CD2 4.45Å; L583-L843 HydrophobicContact CD1-CD2 4.39Å
584	K	97	Very high	94.8	Very high	45 Å²	45	43.8 Å²	43.8	20%	0.196	23%	0.226	C	C	.	.			trans	-125.9	145.1	174.1	-65.6	-68.9	-176.2	161.5	0	111.4	R579 E580 G591 F594 Y620	R579-K584 PolarHBondContact O-N 3.16Å; E580-K584 WeakPolarHBondContact O-CB 3.07Å; K584-G591 WeakPolarHBondContact O-CA 3.48Å; K584-F594 WeakPolarHBondContact O-CB 3.44Å; K584-Y620 PolarHBondContact NZ-OH 3.31Å
585	T	96.7	Very high	95.2	Very high	30 Å²	30	41.5 Å²	41.5	18%	0.184	20%	0.202	C	C	.	.	S	Bend	trans	-78.2	-29.9	176.9	52.7	0	0	0	0	112.3	K590 G591 F594 L617 L630 W633	T585-K590 CarbonylContact O-C 3.42Å; T585-G591 VanDerWaalsContact O-CA 3.27Å; T585-G591 WeakPolarHBondContact O-CA 3.44Å; T585-G591 PolarHBondContact O-N 2.91Å; T585-F594 HydrophobicContact CG2-CD1 3.74Å; T585-F594 HydrophobicContact CG2-CE1 3.77Å; T585-L617 HydrophobicContact CG2-CD2 4.14Å; T585-L630 HydrophobicContact CG2-CD1 3.77Å; T585-W633 HydrophobicContact CG2-CD2 3.82Å; T585-W633 HydrophobicContact CG2-CE3 3.84Å; T585-W633 HydrophobicContact CG2-CH2 3.79Å; T585-W633 HydrophobicContact CG2-CZ2 3.78Å; T585-W633 HydrophobicContact CG2-CZ3 3.83Å
586	D	94.8	Very high	95.5	Very high	97 Å²	97	41 Å²	41	52%	0.519	20%	0.2	S	C	.	.	S	Bend	trans	-117.4	117	178.3	-168.5	8.6	0	0	0	110.1
587	N	94.7	Very high	95.8	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.08	18%	0.175	C	C	.	.	S	Bend	trans	-164.2	-176.5	179.6	65.7	20.4	0	0	0	109.5	E580 V581 I589 K590 G591	E580-N587 HydrophobicContact CG-CB 3.94Å; E580-N587 PolarHBondContact O-ND2 3.25Å; V581-N587 PolarHBondContact O-ND2 3.22Å; N587-I589 PolarHBondContact O-N 2.98Å; N587-I589 VanDerWaalsContact O-N 3.12Å; N587-I589 VanDerWaalsContact OD1-C 3.3Å; N587-I589 WeakPolarHBondContact OD1-CA 3.3Å; N587-I589 WeakPolarHBondContact OD1-CG1 3.37Å; N587-I589 PolarHBondContact OD1-N 2.7Å; N587-K590 PolarHBondContact O-N 3.18Å; N587-K590 PolarHBondContact OD1-N 3.34Å; N587-G591 PolarHBondContact OD1-N 3.3Å
588	Y	94	Very high	96.1	Very high	103 Å²	103	35.5 Å²	35.5	40%	0.404	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-32	-179.5	-170.3	-89	0	0	0	114.2	Y519 V520 E522 P529	Y519-Y588 WeakPolarHBondContact O-CD1 3.48Å; V520-Y588 WeakPolarHBondContact O-CB 3.35Å; E522-Y588 HydrophobicContact CG-CD2 3.94Å; E522-Y588 HydrophobicContact CG-CE2 3.78Å; P529-Y588 WeakPolarHBondContact CB-OH 3.22Å
589	I	94.8	Very high	96.3	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.108	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	18.5	178.1	61.8	170.3	0	0	0	112.8	T518 Y519 V520 N587 G591 V592 F593	T518-I589 HydrophobicContact CG2-CG2 4.24Å; Y519-I589 WeakPolarHBondContact O-CG2 3.49Å; V520-I589 HydrophobicContact CG1-CG2 4.44Å; N587-I589 PolarHBondContact O-N 2.98Å; N587-I589 VanDerWaalsContact O-N 3.12Å; N587-I589 VanDerWaalsContact OD1-C 3.3Å; N587-I589 WeakPolarHBondContact OD1-CA 3.3Å; N587-I589 WeakPolarHBondContact OD1-CG1 3.37Å; N587-I589 PolarHBondContact OD1-N 2.7Å; I589-G591 PolarHBondContact O-N 3.17Å; I589-V592 HydrophobicContact CD1-CB 4.47Å; I589-V592 WeakPolarHBondContact O-CG2 3.31Å; I589-V592 PolarHBondContact O-N 2.88Å; I589-F593 HydrophobicContact CD1-CB 4.06Å; I589-F593 HydrophobicContact CD1-CD1 3.88Å; I589-F593 HydrophobicContact CD1-CD2 3.34Å; I589-F593 HydrophobicContact CD1-CE1 4.11Å; I589-F593 HydrophobicContact CD1-CE2 3.6Å; I589-F593 HydrophobicContact CD1-CG 3.48Å; I589-F593 VanDerWaalsContact CD1-CG 3.48Å; I589-F593 HydrophobicContact CD1-CZ 3.98Å
590	K	95.6	Very high	96.4	Very high	139 Å²	139	38.7 Å²	38.7	60%	0.604	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	41.9	-178.9	-54	179.8	179.7	-177.7	0	112.6	T585 N587 V592 W633	T585-K590 CarbonylContact O-C 3.42Å; N587-K590 PolarHBondContact O-N 3.18Å; N587-K590 PolarHBondContact OD1-N 3.34Å; K590-V592 VanDerWaalsContact C-N 3.27Å; K590-V592 PolarHBondContact O-N 3.04Å; K590-V592 VanDerWaalsContact O-N 3.15Å; K590-W633 VanDerWaalsContact O-CD1 3.29Å
591	G	96.2	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	16.4	173.4	0	0	0	0	0	116.5	K584 T585 N587 I589 F593 F594 A595 W633	K584-G591 WeakPolarHBondContact O-CA 3.48Å; T585-G591 VanDerWaalsContact O-CA 3.27Å; T585-G591 WeakPolarHBondContact O-CA 3.44Å; T585-G591 PolarHBondContact O-N 2.91Å; N587-G591 PolarHBondContact OD1-N 3.3Å; I589-G591 PolarHBondContact O-N 3.17Å; G591-F593 VanDerWaalsContact C-N 3.33Å; G591-F593 PolarHBondContact O-N 3.26Å; G591-F594 PolarHBondContact O-N 3.06Å; G591-A595 PolarHBondContact O-N 2.78Å; G591-W633 PolarHBondContact O-NE1 2.87Å
592	V	97.1	Very high	96.7	Very high	47 Å²	47	35 Å²	35	29%	0.285	17%	0.165	S	C	.	.	H	α-helix	trans	-57.9	-40.2	-175.3	166.5	0	0	0	0	113	I589 K590 H596	I589-V592 HydrophobicContact CD1-CB 4.47Å; I589-V592 WeakPolarHBondContact O-CG2 3.31Å; I589-V592 PolarHBondContact O-N 2.88Å; K590-V592 VanDerWaalsContact C-N 3.27Å; K590-V592 PolarHBondContact O-N 3.04Å; K590-V592 VanDerWaalsContact O-N 3.15Å; V592-H596 VanDerWaalsContact CG1-CE1 3.43Å; V592-H596 WeakPolarHBondContact CG1-CE1 3.44Å; V592-H596 PolarHBondContact O-N 3.33Å; V592-H596 VanDerWaalsContact O-N 3.09Å; V592-H596 PolarHBondContact O-ND1 3.35Å
593	F	97.3	Very high	96.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-41.2	179	-67.4	-17	0	0	0	112.3	F507 T511 K515 T518 V520 L532 V581 F582 I589 G591 A595 H596 V597	F507-F593 HydrophobicContact CE1-CB 4.2Å; F507-F593 WeakPolarHBondContact CZ-O 3.5Å; T511-F593 HydrophobicContact CG2-CD1 4.12Å; T511-F593 HydrophobicContact CG2-CD2 4.14Å; T511-F593 HydrophobicContact CG2-CE1 3.74Å; T511-F593 HydrophobicContact CG2-CE2 3.76Å; T511-F593 HydrophobicContact CG2-CG 4.32Å; T511-F593 HydrophobicContact CG2-CZ 3.55Å; K515-F593 HydrophobicContact CB-CZ 4.47Å; K515-F593 HydrophobicContact CD-CE1 3.77Å; K515-F593 HydrophobicContact CD-CZ 4.35Å; T518-F593 HydrophobicContact CG2-CZ 4.39Å; V520-F593 HydrophobicContact CG1-CE2 3.82Å; V520-F593 HydrophobicContact CG1-CZ 4.36Å; L532-F593 HydrophobicContact CD2-CE2 4.32Å; V581-F593 HydrophobicContact CG1-CD2 3.69Å; V581-F593 HydrophobicContact CG1-CE2 3.98Å; F582-F593 HydrophobicContact CD1-CB 4.11Å; F582-F593 HydrophobicContact CD1-CD2 4.13Å; F582-F593 HydrophobicContact CD1-CG 4.47Å; F582-F593 AromaticContact CE1-CD2 3.86Å; F582-F593 HydrophobicContact CE1-CD2 3.86Å; F582-F593 HydrophobicContact CE1-CE2 4.46Å; F582-F593 HydrophobicContact CE1-CG 4.4Å; F582-F593 HydrophobicContact CZ-CD2 4.37Å; I589-F593 HydrophobicContact CD1-CB 4.06Å; I589-F593 HydrophobicContact CD1-CD1 3.88Å; I589-F593 HydrophobicContact CD1-CD2 3.34Å; I589-F593 HydrophobicContact CD1-CE1 4.11Å; I589-F593 HydrophobicContact CD1-CE2 3.6Å; I589-F593 HydrophobicContact CD1-CG 3.48Å; I589-F593 VanDerWaalsContact CD1-CG 3.48Å; I589-F593 HydrophobicContact CD1-CZ 3.98Å; G591-F593 VanDerWaalsContact C-N 3.33Å; G591-F593 PolarHBondContact O-N 3.26Å; F593-A595 VanDerWaalsContact C-N 3.34Å; F593-A595 PolarHBondContact O-N 3.18Å; F593-H596 PolarHBondContact O-N 2.84Å; F593-V597 WeakPolarHBondContact O-CG2 3.29Å; F593-V597 PolarHBondContact O-N 2.9Å
594	F	97.9	Very high	96.7	Very high	6 Å²	6	45.8 Å²	45.8	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-42.8	176.6	-175	-137.8	0	0	0	111.3	A495 M499 F582 L583 K584 T585 G591 H596 V597 L598 W633	A495-F594 HydrophobicContact CB-CZ 4.05Å; A495-F594 WeakPolarHBondContact O-CE2 3.33Å; A495-F594 WeakPolarHBondContact O-CZ 3.32Å; M499-F594 HydrophobicContact CE-CE2 4.23Å; F582-F594 VanDerWaalsContact O-CA 3.32Å; F582-F594 WeakPolarHBondContact O-CA 3.4Å; F582-F594 WeakPolarHBondContact O-CB 3.5Å; F582-F594 WeakPolarHBondContact O-CD2 3.41Å; L583-F594 HydrophobicContact CD2-CD2 4.45Å; K584-F594 WeakPolarHBondContact O-CB 3.44Å; T585-F594 HydrophobicContact CG2-CD1 3.74Å; T585-F594 HydrophobicContact CG2-CE1 3.77Å; G591-F594 PolarHBondContact O-N 3.06Å; F594-H596 VanDerWaalsContact C-N 3.31Å; F594-H596 PolarHBondContact O-N 2.93Å; F594-V597 PolarHBondContact O-N 2.89Å; F594-L598 HydrophobicContact CD1-CD1 4.18Å; F594-L598 HydrophobicContact CD2-CD1 4.39Å; F594-L598 HydrophobicContact CD2-CG 4.21Å; F594-L598 HydrophobicContact CE1-CD1 3.86Å; F594-L598 HydrophobicContact CE2-CD1 4.08Å; F594-L598 HydrophobicContact CE2-CD2 3.95Å; F594-L598 HydrophobicContact CE2-CG 3.91Å; F594-L598 HydrophobicContact CG-CD1 4.43Å; F594-L598 HydrophobicContact CZ-CD1 3.81Å; F594-L598 HydrophobicContact CZ-CD2 4.09Å; F594-L598 HydrophobicContact CZ-CG 4.12Å; F594-L598 WeakPolarHBondContact O-CG 3.16Å; F594-L598 PolarHBondContact O-N 2.87Å; F594-W633 HydrophobicContact CD1-CH2 4.5Å; F594-W633 AromaticContact CD1-CZ2 3.95Å; F594-W633 HydrophobicContact CD1-CZ2 3.95Å; F594-W633 HydrophobicContact CE1-CZ2 4.41Å
595	A	98	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-41.7	173.3	0	0	0	0	0	112.9	G591 F593 L598 K599 W633 C637 V639	G591-A595 PolarHBondContact O-N 2.78Å; F593-A595 VanDerWaalsContact C-N 3.34Å; F593-A595 PolarHBondContact O-N 3.18Å; A595-L598 PolarHBondContact O-N 3.48Å; A595-K599 WeakPolarHBondContact O-CB 3.4Å; A595-K599 WeakPolarHBondContact O-CD 3.23Å; A595-K599 WeakPolarHBondContact O-CG 3.21Å; A595-K599 PolarHBondContact O-N 2.96Å; A595-W633 HydrophobicContact CB-CZ2 4.02Å; A595-C637 HydrophobicContact CB-CB 3.45Å; A595-C637 VanDerWaalsContact CB-CB 3.45Å; A595-V639 HydrophobicContact CB-CG2 3.58Å
596	H	97.4	Very high	96.5	Very high	70 Å²	70	45.7 Å²	45.7	32%	0.324	22%	0.216	S	C	.	.	H	α-helix	trans	-66	-40.8	176.3	-69.1	154.4	0	0	0	113	F507 V592 F593 F594 L598 K599 E600	F507-H596 HydrophobicContact CE2-CB 3.75Å; F507-H596 HydrophobicContact CZ-CB 3.69Å; V592-H596 VanDerWaalsContact CG1-CE1 3.43Å; V592-H596 WeakPolarHBondContact CG1-CE1 3.44Å; V592-H596 PolarHBondContact O-N 3.33Å; V592-H596 VanDerWaalsContact O-N 3.09Å; V592-H596 PolarHBondContact O-ND1 3.35Å; F593-H596 PolarHBondContact O-N 2.84Å; F594-H596 VanDerWaalsContact C-N 3.31Å; F594-H596 PolarHBondContact O-N 2.93Å; H596-L598 VanDerWaalsContact C-N 3.34Å; H596-K599 PolarHBondContact O-N 2.69Å; H596-E600 PolarHBondContact O-N 3.17Å
597	V	97.3	Very high	96.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-47.2	175.7	178.6	0	0	0	0	110.2	M499 F507 F593 F594 K599 E600 V601	M499-V597 HydrophobicContact CB-CG1 4.01Å; M499-V597 HydrophobicContact CE-CG1 3.51Å; M499-V597 HydrophobicContact CG-CG1 3.9Å; M499-V597 HydrophobicContact SD-CG1 4.5Å; F507-V597 HydrophobicContact CB-CG2 4.35Å; F507-V597 HydrophobicContact CD1-CG2 3.38Å; F507-V597 HydrophobicContact CD2-CG2 3.7Å; F507-V597 HydrophobicContact CE1-CG2 3.44Å; F507-V597 VanDerWaalsContact CE1-CG2 3.44Å; F507-V597 HydrophobicContact CE2-CG2 3.74Å; F507-V597 HydrophobicContact CG-CG2 3.52Å; F507-V597 HydrophobicContact CZ-CG2 3.63Å; F593-V597 WeakPolarHBondContact O-CG2 3.29Å; F593-V597 PolarHBondContact O-N 2.9Å; F594-V597 PolarHBondContact O-N 2.89Å; V597-K599 VanDerWaalsContact C-N 3.32Å; V597-K599 PolarHBondContact O-N 3.29Å; V597-E600 PolarHBondContact O-N 3.46Å; V597-V601 PolarHBondContact O-N 3.14Å
598	L	98	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-42.3	177.7	-67.8	175.1	0	0	0	111.9	A495 C498 F594 A595 H596 E600 V601 F602 W633 V639 W646	A495-L598 HydrophobicContact CB-CD2 4.31Å; C498-L598 WeakPolarHBondContact SG-CD2 3.44Å; F594-L598 HydrophobicContact CD1-CD1 4.18Å; F594-L598 HydrophobicContact CD2-CD1 4.39Å; F594-L598 HydrophobicContact CD2-CG 4.21Å; F594-L598 HydrophobicContact CE1-CD1 3.86Å; F594-L598 HydrophobicContact CE2-CD1 4.08Å; F594-L598 HydrophobicContact CE2-CD2 3.95Å; F594-L598 HydrophobicContact CE2-CG 3.91Å; F594-L598 HydrophobicContact CG-CD1 4.43Å; F594-L598 HydrophobicContact CZ-CD1 3.81Å; F594-L598 HydrophobicContact CZ-CD2 4.09Å; F594-L598 HydrophobicContact CZ-CG 4.12Å; F594-L598 WeakPolarHBondContact O-CG 3.16Å; F594-L598 PolarHBondContact O-N 2.87Å; A595-L598 PolarHBondContact O-N 3.48Å; H596-L598 VanDerWaalsContact C-N 3.34Å; L598-E600 VanDerWaalsContact C-N 3.33Å; L598-E600 PolarHBondContact O-N 2.82Å; L598-V601 CarbonylContact O-C 3.6Å; L598-V601 WeakPolarHBondContact O-CB 3.2Å; L598-V601 PolarHBondContact O-N 2.9Å; L598-V601 VanDerWaalsContact O-N 3.14Å; L598-F602 HydrophobicContact CB-CE1 4.41Å; L598-F602 HydrophobicContact CB-CZ 4.24Å; L598-F602 WeakPolarHBondContact O-CB 3.48Å; L598-F602 WeakPolarHBondContact O-CD1 3.16Å; L598-F602 WeakPolarHBondContact O-CG 3.33Å; L598-F602 PolarHBondContact O-N 3.21Å; L598-W633 HydrophobicContact CD1-CH2 3.53Å; L598-W633 HydrophobicContact CD1-CZ2 3.78Å; L598-V639 HydrophobicContact CB-CG1 4.27Å; L598-V639 HydrophobicContact CD1-CG1 4.16Å; L598-W646 HydrophobicContact CD1-CH2 4.27Å
599	K	97.7	Very high	96.5	Very high	78 Å²	78	49 Å²	49	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-65.5	-33.9	177.6	-71.9	168.4	71.9	132.4	0	112.8	A595 H596 V597 F602 Y603 C637 K638	A595-K599 WeakPolarHBondContact O-CB 3.4Å; A595-K599 WeakPolarHBondContact O-CD 3.23Å; A595-K599 WeakPolarHBondContact O-CG 3.21Å; A595-K599 PolarHBondContact O-N 2.96Å; H596-K599 PolarHBondContact O-N 2.69Å; V597-K599 VanDerWaalsContact C-N 3.32Å; V597-K599 PolarHBondContact O-N 3.29Å; K599-F602 PolarHBondContact O-N 3.26Å; K599-Y603 PolarHBondContact O-N 3.38Å; K599-C637 PolarHBondContact NZ-O 2.89Å; K599-K638 PolarHBondContact NZ-O 2.98Å
600	E	97.9	Very high	96.6	Very high	59 Å²	59	50 Å²	50	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-64.5	-44.1	170.5	-71.7	-172.9	176	0	0	110.6	H503 K510 H596 V597 L598 F602 Y603 D604	H503-E600 IonicContact CD2-OE2 2.75Å; H503-E600 IonicContact CE1-OE2 3.74Å; H503-E600 IonicContact NE2-OE2 2.82Å; H503-E600 PolarHBondContact NE2-OE2 3.03Å; K510-E600 IonicContact NZ-OE1 3.34Å; K510-E600 PolarHBondContact NZ-OE1 2.96Å; H596-E600 PolarHBondContact O-N 3.17Å; V597-E600 PolarHBondContact O-N 3.46Å; L598-E600 VanDerWaalsContact C-N 3.33Å; L598-E600 PolarHBondContact O-N 2.82Å; E600-F602 VanDerWaalsContact C-N 3.34Å; E600-F602 PolarHBondContact O-N 3.17Å; E600-Y603 WeakPolarHBondContact O-CB 3.16Å; E600-Y603 PolarHBondContact O-N 3.17Å; E600-D604 PolarHBondContact O-N 2.94Å
601	V	97.7	Very high	96.7	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-38.7	175.1	175.5	0	0	0	0	111.9	M499 V597 L598 Y603 D604 F605	M499-V601 HydrophobicContact CB-CG2 3.8Å; V597-V601 PolarHBondContact O-N 3.14Å; L598-V601 CarbonylContact O-C 3.6Å; L598-V601 WeakPolarHBondContact O-CB 3.2Å; L598-V601 PolarHBondContact O-N 2.9Å; L598-V601 VanDerWaalsContact O-N 3.14Å; V601-Y603 VanDerWaalsContact C-N 3.3Å; V601-Y603 PolarHBondContact O-N 3.2Å; V601-D604 WeakPolarHBondContact O-CB 3.32Å; V601-D604 PolarHBondContact O-N 2.79Å; V601-F605 HydrophobicContact CG1-CD2 3.98Å; V601-F605 HydrophobicContact CG1-CE2 3.64Å; V601-F605 VanDerWaalsContact O-CD2 3.3Å; V601-F605 WeakPolarHBondContact O-CD2 3.38Å; V601-F605 PolarHBondContact O-N 3.01Å
602	F	97	Very high	96.8	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-33.6	179.6	-67.4	-1.6	0	0	0	112.3	L598 K599 E600 D604 F605 S606 V639 I644 W646	L598-F602 HydrophobicContact CB-CE1 4.41Å; L598-F602 HydrophobicContact CB-CZ 4.24Å; L598-F602 WeakPolarHBondContact O-CB 3.48Å; L598-F602 WeakPolarHBondContact O-CD1 3.16Å; L598-F602 WeakPolarHBondContact O-CG 3.33Å; L598-F602 PolarHBondContact O-N 3.21Å; K599-F602 PolarHBondContact O-N 3.26Å; E600-F602 VanDerWaalsContact C-N 3.34Å; E600-F602 PolarHBondContact O-N 3.17Å; F602-D604 VanDerWaalsContact C-N 3.32Å; F602-F605 PolarHBondContact O-N 3.06Å; F602-S606 PolarHBondContact O-N 3Å; F602-S606 PolarHBondContact O-OG 3.02Å; F602-V639 HydrophobicContact CE2-CG1 3.83Å; F602-V639 HydrophobicContact CZ-CG1 4.41Å; F602-I644 HydrophobicContact CD1-CD1 3.73Å; F602-I644 HydrophobicContact CD1-CG1 3.61Å; F602-I644 HydrophobicContact CD2-CG1 4.19Å; F602-I644 HydrophobicContact CE1-CB 4.47Å; F602-I644 HydrophobicContact CE1-CD1 3.66Å; F602-I644 HydrophobicContact CE1-CG1 3.63Å; F602-I644 HydrophobicContact CE1-CG2 4.12Å; F602-I644 HydrophobicContact CE2-CG1 4.17Å; F602-I644 HydrophobicContact CE2-CG2 4.25Å; F602-I644 HydrophobicContact CG-CD1 4.49Å; F602-I644 HydrophobicContact CG-CG1 3.91Å; F602-I644 HydrophobicContact CZ-CB 4.31Å; F602-I644 HydrophobicContact CZ-CD1 4.34Å; F602-I644 HydrophobicContact CZ-CG1 3.9Å; F602-I644 HydrophobicContact CZ-CG2 3.75Å; F602-W646 HydrophobicContact CE1-CH2 4.49Å; F602-W646 HydrophobicContact CE2-CH2 4.19Å; F602-W646 AromaticContact CE2-CZ2 3.91Å; F602-W646 HydrophobicContact CE2-CZ2 3.91Å; F602-W646 AromaticContact CZ-CH2 3.49Å; F602-W646 HydrophobicContact CZ-CH2 3.49Å; F602-W646 VanDerWaalsContact CZ-CH2 3.49Å; F602-W646 AromaticContact CZ-CZ2 3.62Å; F602-W646 HydrophobicContact CZ-CZ2 3.62Å; F602-W646 HydrophobicContact CZ-CZ3 4.47Å
603	Y	96.8	Very high	96.9	Very high	158 Å²	158	42 Å²	42	62%	0.62	20%	0.197	S	C	*	.	H	α-helix	trans	-60.8	-43.6	172.3	-178.9	-94.9	0	0	0	111.1	K599 E600 V601 F605 S606 E607	K599-Y603 PolarHBondContact O-N 3.38Å; E600-Y603 WeakPolarHBondContact O-CB 3.16Å; E600-Y603 PolarHBondContact O-N 3.17Å; V601-Y603 VanDerWaalsContact C-N 3.3Å; V601-Y603 PolarHBondContact O-N 3.2Å; Y603-F605 VanDerWaalsContact C-N 3.33Å; Y603-F605 PolarHBondContact O-N 3.44Å; Y603-S606 PolarHBondContact O-N 3.42Å; Y603-E607 WeakPolarHBondContact O-CB 3.38Å; Y603-E607 PolarHBondContact O-N 2.93Å
604	D	96.7	Very high	97	Very high	74 Å²	74	41.8 Å²	41.8	40%	0.396	20%	0.196	S	C	.	.	H	α-helix	trans	-61.1	-41.2	176.9	-62.7	-13.7	0	0	0	111.4	E600 V601 F602 E607 S608	E600-D604 PolarHBondContact O-N 2.94Å; V601-D604 WeakPolarHBondContact O-CB 3.32Å; V601-D604 PolarHBondContact O-N 2.79Å; F602-D604 VanDerWaalsContact C-N 3.32Å; D604-E607 PolarHBondContact O-N 3.38Å; D604-S608 WeakPolarHBondContact O-CB 3.5Å; D604-S608 PolarHBondContact O-N 3.03Å
605	F	96.2	Very high	97	Very high	22 Å²	22	41.6 Å²	41.6	10%	0.096	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-46.4	173.2	-78.4	-66.7	0	0	0	112.3	V601 F602 Y603 S608 K609 Q611 A613 N643 I644	V601-F605 HydrophobicContact CG1-CD2 3.98Å; V601-F605 HydrophobicContact CG1-CE2 3.64Å; V601-F605 VanDerWaalsContact O-CD2 3.3Å; V601-F605 WeakPolarHBondContact O-CD2 3.38Å; V601-F605 PolarHBondContact O-N 3.01Å; F602-F605 PolarHBondContact O-N 3.06Å; Y603-F605 VanDerWaalsContact C-N 3.33Å; Y603-F605 PolarHBondContact O-N 3.44Å; F605-S608 PolarHBondContact O-N 3.15Å; F605-S608 PolarHBondContact O-OG 2.88Å; F605-K609 PolarHBondContact O-N 3.12Å; F605-K609 VanDerWaalsContact O-N 3.11Å; F605-Q611 HydrophobicContact CD1-CB 3.77Å; F605-Q611 HydrophobicContact CE1-CB 4.03Å; F605-A613 HydrophobicContact CE1-CB 4.03Å; F605-A613 HydrophobicContact CE2-CB 3.89Å; F605-A613 HydrophobicContact CZ-CB 3.56Å; F605-N643 HydrophobicContact CB-CB 4.08Å; F605-I644 HydrophobicContact CD2-CD1 3.99Å; F605-I644 HydrophobicContact CE2-CD1 4.3Å
606	S	93.9	Very high	97	Very high	51 Å²	51	41.6 Å²	41.6	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-66.2	-36.9	178.3	-64	0	0	0	0	112.7	F602 Y603 K609 S641 N643	F602-S606 PolarHBondContact O-N 3Å; F602-S606 PolarHBondContact O-OG 3.02Å; Y603-S606 PolarHBondContact O-N 3.42Å; S606-K609 PolarHBondContact O-N 2.99Å; S606-S641 PolarHBondContact OG-OG 3.5Å; S606-N643 WeakPolarHBondContact CA-OD1 3.47Å; S606-N643 PolarHBondContact OG-OD1 3.23Å; S606-N643 VanDerWaalsContact OG-OD1 3.06Å
607	E	94.9	Very high	97.1	Very high	131 Å²	131	38.5 Å²	38.5	61%	0.612	18%	0.181	S	C	*	.	H	α-helix	trans	-63.3	-44	173.3	-175.3	178.1	-168.6	0	0	111.2	Y603 D604 K609	Y603-E607 WeakPolarHBondContact O-CB 3.38Å; Y603-E607 PolarHBondContact O-N 2.93Å; D604-E607 PolarHBondContact O-N 3.38Å; E607-K609 PolarHBondContact O-N 2.88Å
608	S	94	Very high	97.1	Very high	30 Å²	30	39.5 Å²	39.5	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-23.4	176.7	84.8	0	0	0	0	113.1	D604 F605 Y610 Q611	D604-S608 WeakPolarHBondContact O-CB 3.5Å; D604-S608 PolarHBondContact O-N 3.03Å; F605-S608 PolarHBondContact O-N 3.15Å; F605-S608 PolarHBondContact O-OG 2.88Å; S608-Y610 VanDerWaalsContact O-CD2 3.29Å; S608-Y610 WeakPolarHBondContact O-CD2 3.39Å; S608-Y610 PolarHBondContact O-N 3.49Å; S608-Q611 WeakPolarHBondContact OG-CB 3.36Å; S608-Q611 PolarHBondContact OG-N 2.93Å
609	K	94.2	Very high	97.2	Very high	123 Å²	123	39.6 Å²	39.6	54%	0.535	19%	0.189	S	C	.	.	S	Bend	trans	61.2	-43.2	-173.4	-59.2	177.5	-179.2	-179	0	115.2	R487 F605 S606 E607 N643	R487-K609 PolarHBondContact NH1-O 3.31Å; F605-K609 PolarHBondContact O-N 3.12Å; F605-K609 VanDerWaalsContact O-N 3.11Å; S606-K609 PolarHBondContact O-N 2.99Å; E607-K609 PolarHBondContact O-N 2.88Å; K609-N643 PolarHBondContact O-ND2 2.78Å
610	Y	97.2	Very high	97.2	Very high	41 Å²	41	37.7 Å²	37.7	16%	0.161	18%	0.18	C	C	.	.	S	Bend	trans	-99.5	-14.5	-165.9	-59.3	-73.5	0	0	0	114.1	H350 N485 I486 R487 K488 S608 N612	H350-Y610 AromaticContact CE1-CE1 3.9Å; N485-Y610 HydrophobicContact CB-CD1 4.47Å; N485-Y610 HydrophobicContact CB-CD2 4.29Å; N485-Y610 HydrophobicContact CB-CE1 3.97Å; N485-Y610 HydrophobicContact CB-CE2 3.75Å; N485-Y610 WeakPolarHBondContact O-CD1 3.37Å; N485-Y610 WeakPolarHBondContact O-CE1 3.48Å; I486-Y610 WeakPolarHBondContact O-CB 3.24Å; R487-Y610 WeakPolarHBondContact CA-O 3.46Å; K488-Y610 PolarHBondContact N-O 3.02Å; S608-Y610 VanDerWaalsContact O-CD2 3.29Å; S608-Y610 WeakPolarHBondContact O-CD2 3.39Å; S608-Y610 PolarHBondContact O-N 3.49Å; Y610-N612 PolarHBondContact O-ND2 2.87Å
611	Q	98.2	Very high	97.1	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	139.6	172.3	-52.3	179.1	49.2	0	0	109.1	K488 F605 S608 N643 E850 L852	K488-Q611 CarbonylContact O-C 3.58Å; K488-Q611 WeakPolarHBondContact O-CA 3.18Å; F605-Q611 HydrophobicContact CD1-CB 3.77Å; F605-Q611 HydrophobicContact CE1-CB 4.03Å; S608-Q611 WeakPolarHBondContact OG-CB 3.36Å; S608-Q611 PolarHBondContact OG-N 2.93Å; Q611-N643 PolarHBondContact O-ND2 3.45Å; Q611-E850 PolarHBondContact NE2-OE1 3.36Å; Q611-L852 HydrophobicContact CB-CD2 4.44Å
612	N	98.5	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	163.6	-179.8	-51.7	-89	0	0	0	107.8	K488 V489 D490 Y610 N643 F883 W891	K488-N612 PolarHBondContact O-N 2.86Å; K488-N612 PolarHBondContact O-ND2 2.82Å; K488-N612 VanDerWaalsContact O-ND2 3.16Å; V489-N612 CarbonylContact C-O 3.52Å; V489-N612 WeakPolarHBondContact CA-O 3.39Å; V489-N612 HydrophobicContact CG1-CB 4.39Å; V489-N612 HydrophobicContact CG2-CB 4.19Å; D490-N612 PolarHBondContact N-O 3.27Å; Y610-N612 PolarHBondContact O-ND2 2.87Å; N612-N643 WeakPolarHBondContact CA-O 3.42Å; N612-N643 WeakPolarHBondContact CB-O 3.42Å; N612-N643 PolarHBondContact OD1-ND2 3.25Å; N612-F883 HydrophobicContact CB-CE2 4.06Å; N612-F883 HydrophobicContact CB-CZ 3.78Å; N612-W891 HydrophobicContact CB-CH2 4.18Å; N612-W891 VanDerWaalsContact CG-CH2 3.49Å; N612-W891 WeakPolarHBondContact OD1-CH2 3.49Å; N612-W891 WeakPolarHBondContact OD1-CZ2 3.13Å
613	A	98.6	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	155.8	-179.9	0	0	0	0	0	112.7	D490 I493 F605 P615 N643 I644 R645	D490-A613 HydrophobicContact CB-CB 4.02Å; I493-A613 HydrophobicContact CG2-CB 4.01Å; F605-A613 HydrophobicContact CE1-CB 4.03Å; F605-A613 HydrophobicContact CE2-CB 3.89Å; F605-A613 HydrophobicContact CZ-CB 3.56Å; A613-P615 VanDerWaalsContact O-CD 3.28Å; A613-P615 WeakPolarHBondContact O-CD 2.88Å; A613-N643 PolarHBondContact N-O 2.95Å; A613-I644 HydrophobicContact CB-CD1 3.83Å; A613-I644 WeakPolarHBondContact O-CA 3.5Å; A613-R645 PolarHBondContact O-N 2.88Å
614	E	98.6	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	64	173.6	-58.8	-167.8	107.7	0	0	112.1	V489 D490 R616 R645 L647 R761 G882 F883	V489-E614 HydrophobicContact CG1-CG 4.01Å; D490-E614 PolarHBondContact O-N 2.78Å; E614-R616 PolarHBondContact O-N 2.98Å; E614-R616 PolarHBondContact O-NH1 3.35Å; E614-R645 CarbonylContact C-O 3.52Å; E614-R645 WeakPolarHBondContact CA-O 3.36Å; E614-L647 HydrophobicContact CB-CD1 3.84Å; E614-L647 HydrophobicContact CG-CD1 4.45Å; E614-R761 VanDerWaalsContact CD-NH1 3.31Å; E614-R761 IonicContact OE1-NH1 3.07Å; E614-R761 PolarHBondContact OE1-NH1 3.15Å; E614-R761 IonicContact OE2-CZ 3.98Å; E614-R761 VanDerWaalsContact OE2-CZ 3.3Å; E614-R761 IonicContact OE2-NH1 2.94Å; E614-R761 PolarHBondContact OE2-NH1 2.99Å; E614-R761 IonicContact OE2-NH2 2.91Å; E614-R761 PolarHBondContact OE2-NH2 3.09Å; E614-G882 WeakPolarHBondContact OE1-CA 3.27Å; E614-G882 PolarHBondContact OE1-N 3.08Å; E614-F883 HydrophobicContact CG-CE2 4.37Å
615	P	98.5	Very high	97	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.013	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	138.9	-175.9	22.5	-34.1	0	0	0	113.8	I493 A495 A613 I644 R645 W646 L647	I493-P615 CarbonylContact O-C 3.54Å; I493-P615 VanDerWaalsContact O-CA 3.23Å; I493-P615 WeakPolarHBondContact O-CA 3.38Å; A495-P615 HydrophobicContact CB-CB 4.02Å; A613-P615 VanDerWaalsContact O-CD 3.28Å; A613-P615 WeakPolarHBondContact O-CD 2.88Å; P615-I644 HydrophobicContact CG-CD1 4.44Å; P615-I644 HydrophobicContact CG-CG2 3.6Å; P615-R645 VanDerWaalsContact CD-O 3.3Å; P615-R645 WeakPolarHBondContact CD-O 3.39Å; P615-W646 HydrophobicContact CB-CE3 4.03Å; P615-W646 HydrophobicContact CB-CZ3 3.65Å; P615-W646 HydrophobicContact CG-CD2 4.42Å; P615-W646 HydrophobicContact CG-CE3 3.58Å; P615-W646 HydrophobicContact CG-CH2 4.04Å; P615-W646 HydrophobicContact CG-CZ3 3.37Å; P615-L647 PolarHBondContact O-N 2.97Å
616	R	98.7	Very high	97.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.8	175.2	-51.7	-48.9	-169.9	-109.6	-2.3	111.8	T491 I493 A495 E614 L647 Q649 D701 N784	T491-R616 PolarHBondContact O-NH1 3.05Å; T491-R616 PolarHBondContact O-NH2 2.89Å; I493-R616 WeakPolarHBondContact O-CG 3.38Å; I493-R616 PolarHBondContact O-N 3.35Å; A495-R616 WeakPolarHBondContact CB-O 3.33Å; A495-R616 PolarHBondContact N-O 3.04Å; E614-R616 PolarHBondContact O-N 2.98Å; E614-R616 PolarHBondContact O-NH1 3.35Å; R616-L647 CarbonylContact C-O 3.51Å; R616-L647 VanDerWaalsContact CA-O 3.29Å; R616-L647 WeakPolarHBondContact CA-O 3.25Å; R616-Q649 HydrophobicContact CB-CB 4.25Å; R616-Q649 HydrophobicContact CB-CG 4.24Å; R616-D701 IonicContact CZ-OD2 3.88Å; R616-D701 IonicContact NE-OD2 2.6Å; R616-D701 PolarHBondContact NE-OD2 3.2Å; R616-D701 IonicContact NH2-OD2 2.63Å; R616-N784 PolarHBondContact NH2-ND2 3.49Å; R616-N784 PolarHBondContact NH2-OD1 3.18Å
617	L	98.5	Very high	97.3	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.1	168	-72.3	168	0	0	0	110.2	A495 T585 L630 W633 W646 L647 I648 Q649 F693	A495-L617 HydrophobicContact CB-CD2 3.86Å; A495-L617 HydrophobicContact CB-CG 4.42Å; T585-L617 HydrophobicContact CG2-CD2 4.14Å; L617-L630 HydrophobicContact CB-CD2 4.23Å; L617-L630 HydrophobicContact CD1-CD1 4.22Å; L617-L630 HydrophobicContact CD1-CD2 4.39Å; L617-L630 HydrophobicContact CD2-CD1 4.46Å; L617-W633 HydrophobicContact CD1-CZ3 4.07Å; L617-W633 HydrophobicContact CD2-CH2 4.12Å; L617-W633 HydrophobicContact CD2-CZ3 4.05Å; L617-W646 HydrophobicContact CD1-CD2 3.58Å; L617-W646 HydrophobicContact CD1-CE3 3.32Å; L617-W646 HydrophobicContact CD1-CG 4.15Å; L617-W646 HydrophobicContact CD1-CH2 4.07Å; L617-W646 HydrophobicContact CD1-CZ2 4.33Å; L617-W646 HydrophobicContact CD1-CZ3 3.59Å; L617-W646 HydrophobicContact CD2-CE3 4.39Å; L617-W646 HydrophobicContact CD2-CH2 4.44Å; L617-W646 HydrophobicContact CD2-CZ3 3.92Å; L617-W646 HydrophobicContact CG-CD2 4.26Å; L617-W646 HydrophobicContact CG-CE3 3.48Å; L617-W646 VanDerWaalsContact CG-CE3 3.48Å; L617-W646 HydrophobicContact CG-CH2 4.33Å; L617-W646 HydrophobicContact CG-CZ3 3.52Å; L617-L647 PolarHBondContact N-O 3.26Å; L617-I648 HydrophobicContact CB-CD1 3.95Å; L617-I648 CarbonylContact O-C 3.49Å; L617-I648 WeakPolarHBondContact O-CA 3.22Å; L617-Q649 PolarHBondContact O-N 3.4Å; L617-F693 HydrophobicContact CD1-CE2 4.47Å; L617-F693 HydrophobicContact CD1-CZ 3.88Å
618	S	98.3	Very high	97.4	Very high	22 Å²	22	30.4 Å²	30.4	15%	0.154	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.7	-176.2	-57.3	0	0	0	0	112	Y620 Q649	S618-Y620 VanDerWaalsContact CB-CZ 3.47Å; S618-Y620 WeakPolarHBondContact CB-OH 3.44Å; S618-Y620 PolarHBondContact OG-OH 3.41Å; S618-Q649 WeakPolarHBondContact CA-O 3.4Å; S618-Q649 PolarHBondContact OG-NE2 3.15Å
619	I	98.6	Very high	97.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	15%	0.153	C	C	.	.			trans	-109.8	114.9	156.3	-66.8	-68.5	0	0	0	106.2	G621 E626 W627 L630 I648 Q649 V650 V673	I619-G621 VanDerWaalsContact C-N 3.34Å; I619-E626 HydrophobicContact CD1-CB 3.9Å; I619-W627 HydrophobicContact CD1-CD2 4.01Å; I619-W627 HydrophobicContact CD1-CE3 4.31Å; I619-W627 HydrophobicContact CD1-CG 4.23Å; I619-W627 HydrophobicContact CG1-CD2 4.1Å; I619-W627 HydrophobicContact CG1-CE3 4.35Å; I619-W627 HydrophobicContact CG1-CH2 4.43Å; I619-W627 HydrophobicContact CG1-CZ2 4.07Å; I619-L630 HydrophobicContact CD1-CB 4.29Å; I619-L630 HydrophobicContact CD1-CD2 3.75Å; I619-L630 HydrophobicContact CG1-CD2 4.15Å; I619-I648 HydrophobicContact CB-CG2 3.76Å; I619-I648 HydrophobicContact CG1-CG2 3.52Å; I619-Q649 PolarHBondContact N-O 2.98Å; I619-V650 WeakPolarHBondContact O-CA 3.48Å; I619-V673 HydrophobicContact CG2-CG2 4.23Å
620	Y	97.4	Very high	97.8	Very high	37 Å²	37	26 Å²	26	15%	0.145	13%	0.128	C	C	.	.			trans	-82.1	-18.6	-177.2	-60	-79.7	0	0	0	112.3	K584 S618 R622 E626 P651 Y657	K584-Y620 PolarHBondContact NZ-OH 3.31Å; S618-Y620 VanDerWaalsContact CB-CZ 3.47Å; S618-Y620 WeakPolarHBondContact CB-OH 3.44Å; S618-Y620 PolarHBondContact OG-OH 3.41Å; Y620-R622 PolarHBondContact O-N 3.32Å; Y620-E626 WeakPolarHBondContact CA-OE2 3.35Å; Y620-E626 PolarHBondContact N-OE2 3.35Å; Y620-P651 HydrophobicContact CD1-CB 4.41Å; Y620-P651 HydrophobicContact CD1-CG 3.82Å; Y620-P651 HydrophobicContact CE1-CG 3.85Å; Y620-Y657 WeakPolarHBondContact CD1-OH 3.31Å; Y620-Y657 WeakPolarHBondContact O-CE2 3.42Å
621	G	96.8	Very high	97.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	70.7	20	-174.9	0	0	0	0	0	113	I619 E626 M663 N672	I619-G621 VanDerWaalsContact C-N 3.34Å; G621-E626 PolarHBondContact N-OE2 2.59Å; G621-M663 WeakPolarHBondContact O-CE 3.25Å; G621-N672 VanDerWaalsContact O-CB 3.25Å; G621-N672 WeakPolarHBondContact O-CB 3.42Å; G621-N672 PolarHBondContact O-ND2 2.92Å
622	R	95.6	Very high	97.8	Very high	122 Å²	122	27.3 Å²	27.3	46%	0.46	13%	0.132	S	C	.	.	S	Bend	trans	-79.1	-28	179.6	-65.5	176.7	-74.7	171.1	0.5	114.2	Y620 E626 Y657 M663	Y620-R622 PolarHBondContact O-N 3.32Å; R622-E626 VanDerWaalsContact CA-OE1 3.27Å; R622-E626 WeakPolarHBondContact CA-OE1 3.19Å; R622-E626 WeakPolarHBondContact CB-OE1 3.25Å; R622-E626 PolarHBondContact N-OE1 3.33Å; R622-E626 IonicContact NE-OE1 2.77Å; R622-Y657 VanDerWaalsContact CD-CE1 3.47Å; R622-Y657 HydrophobicContact CG-CD1 4.04Å; R622-Y657 HydrophobicContact CG-CD2 3.77Å; R622-Y657 HydrophobicContact CG-CE1 3.84Å; R622-Y657 HydrophobicContact CG-CE2 3.5Å; R622-Y657 VanDerWaalsContact CG-CE2 3.5Å; R622-Y657 HydrophobicContact CG-CG 4.05Å; R622-M663 HydrophobicContact CB-CE 4.28Å; R622-M663 HydrophobicContact CG-CE 4.3Å
623	S	96.1	Very high	97.8	Very high	49 Å²	49	27.7 Å²	27.7	34%	0.343	13%	0.134	S	C	.	.			trans	-142.4	144.1	179.8	176.1	0	0	0	0	109.8	N625 E626	S623-N625 PolarHBondContact O-N 3.02Å; S623-N625 PolarHBondContact OG-N 3.2Å; S623-E626 PolarHBondContact N-OE1 3.44Å; S623-E626 WeakPolarHBondContact O-CB 3.46Å; S623-E626 WeakPolarHBondContact O-CG 3.43Å; S623-E626 PolarHBondContact O-N 3.35Å
624	I	96.8	Very high	97.7	Very high	56 Å²	56	27.7 Å²	27.7	29%	0.287	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-27.6	175.5	-165.2	66.1	0	0	0	112	E626 N672 Q675 P676	I624-E626 VanDerWaalsContact C-N 3.32Å; I624-E626 PolarHBondContact O-N 3.45Å; I624-N672 WeakPolarHBondContact CA-OD1 3.11Å; I624-N672 PolarHBondContact N-OD1 2.75Å; I624-N672 VanDerWaalsContact N-OD1 3.13Å; I624-Q675 HydrophobicContact CD1-CB 4.1Å; I624-P676 HydrophobicContact CD1-CG 3.6Å; I624-P676 HydrophobicContact CG1-CG 4.1Å; I624-P676 WeakPolarHBondContact O-CG 3.2Å
625	N	97.2	Very high	97.6	Very high	84 Å²	84	29.4 Å²	29.4	45%	0.449	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.5	-177.2	-60.4	-31.4	0	0	0	113.8	S623 W627 D628 N629	S623-N625 PolarHBondContact O-N 3.02Å; S623-N625 PolarHBondContact OG-N 3.2Å; N625-W627 VanDerWaalsContact C-N 3.28Å; N625-W627 PolarHBondContact O-N 3.35Å; N625-D628 PolarHBondContact O-N 2.92Å; N625-N629 WeakPolarHBondContact O-CB 3.34Å; N625-N629 VanDerWaalsContact O-CG 3.25Å; N625-N629 PolarHBondContact O-N 3.46Å
626	E	98.1	Very high	97.5	Very high	25 Å²	25	34 Å²	34	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-39.1	-176.4	-76.7	-173.5	-155.2	0	0	112.5	I619 Y620 G621 R622 S623 I624 L630	I619-E626 HydrophobicContact CD1-CB 3.9Å; Y620-E626 WeakPolarHBondContact CA-OE2 3.35Å; Y620-E626 PolarHBondContact N-OE2 3.35Å; G621-E626 PolarHBondContact N-OE2 2.59Å; R622-E626 VanDerWaalsContact CA-OE1 3.27Å; R622-E626 WeakPolarHBondContact CA-OE1 3.19Å; R622-E626 WeakPolarHBondContact CB-OE1 3.25Å; R622-E626 PolarHBondContact N-OE1 3.33Å; R622-E626 IonicContact NE-OE1 2.77Å; S623-E626 PolarHBondContact N-OE1 3.44Å; S623-E626 WeakPolarHBondContact O-CB 3.46Å; S623-E626 WeakPolarHBondContact O-CG 3.43Å; S623-E626 PolarHBondContact O-N 3.35Å; I624-E626 VanDerWaalsContact C-N 3.32Å; I624-E626 PolarHBondContact O-N 3.45Å; E626-L630 VanDerWaalsContact O-CB 3.28Å; E626-L630 WeakPolarHBondContact O-CB 3.41Å; E626-L630 PolarHBondContact O-N 2.85Å
627	W	98.5	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.7	-49	178	-82.9	109.6	0	0	0	112.8	I619 N625 N629 L630 A631 I648 V673 P676 L677 L690 F693 L694 F700	I619-W627 HydrophobicContact CD1-CD2 4.01Å; I619-W627 HydrophobicContact CD1-CE3 4.31Å; I619-W627 HydrophobicContact CD1-CG 4.23Å; I619-W627 HydrophobicContact CG1-CD2 4.1Å; I619-W627 HydrophobicContact CG1-CE3 4.35Å; I619-W627 HydrophobicContact CG1-CH2 4.43Å; I619-W627 HydrophobicContact CG1-CZ2 4.07Å; N625-W627 VanDerWaalsContact C-N 3.28Å; N625-W627 PolarHBondContact O-N 3.35Å; W627-N629 VanDerWaalsContact C-N 3.33Å; W627-N629 PolarHBondContact O-N 3.14Å; W627-L630 PolarHBondContact O-N 3.09Å; W627-A631 WeakPolarHBondContact O-CB 3.35Å; W627-A631 PolarHBondContact O-N 3.03Å; W627-I648 HydrophobicContact CH2-CB 4.09Å; W627-I648 HydrophobicContact CH2-CD1 4.34Å; W627-I648 HydrophobicContact CH2-CG1 3.61Å; W627-I648 HydrophobicContact CH2-CG2 3.85Å; W627-I648 HydrophobicContact CZ2-CG2 4.01Å; W627-I648 HydrophobicContact CZ3-CD1 4.26Å; W627-I648 HydrophobicContact CZ3-CG1 3.98Å; W627-V673 PolarHBondContact NE1-O 3.07Å; W627-P676 HydrophobicContact CB-CB 4.11Å; W627-P676 HydrophobicContact CG-CB 4.31Å; W627-L677 HydrophobicContact CD2-CD2 3.85Å; W627-L677 HydrophobicContact CD2-CG 4.46Å; W627-L677 HydrophobicContact CE3-CD2 4Å; W627-L677 HydrophobicContact CG-CD2 4.48Å; W627-L677 HydrophobicContact CH2-CD1 4.19Å; W627-L677 HydrophobicContact CH2-CD2 3.77Å; W627-L677 HydrophobicContact CH2-CG 4.47Å; W627-L677 HydrophobicContact CZ2-CD1 3.65Å; W627-L677 HydrophobicContact CZ2-CD2 3.72Å; W627-L677 HydrophobicContact CZ2-CG 3.98Å; W627-L677 HydrophobicContact CZ3-CD2 3.95Å; W627-L690 HydrophobicContact CB-CD1 4.06Å; W627-L690 HydrophobicContact CB-CD2 3.9Å; W627-L690 HydrophobicContact CD2-CD1 4.2Å; W627-L690 HydrophobicContact CE3-CD1 3.54Å; W627-L690 HydrophobicContact CG-CD1 4.46Å; W627-L690 HydrophobicContact CG-CD2 4.49Å; W627-L690 HydrophobicContact CZ3-CD1 4.25Å; W627-F693 HydrophobicContact CZ3-CE1 4.46Å; W627-L694 HydrophobicContact CH2-CD2 4.44Å; W627-L694 HydrophobicContact CZ3-CD2 3.98Å; W627-F700 HydrophobicContact CH2-CE1 4.22Å; W627-F700 HydrophobicContact CH2-CZ 4.37Å; W627-F700 AromaticContact CZ2-CE1 3.93Å; W627-F700 HydrophobicContact CZ2-CE1 3.93Å; W627-F700 HydrophobicContact CZ2-CZ 4.3Å
628	D	98	Very high	97.2	Very high	23 Å²	23	41 Å²	41	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-37.8	179.3	-68.5	-36.1	0	0	0	111.7	N625 R632 H687	N625-D628 PolarHBondContact O-N 2.92Å; D628-R632 WeakPolarHBondContact O-CB 3.32Å; D628-R632 PolarHBondContact O-N 2.97Å; D628-H687 VanDerWaalsContact CG-ND1 3.29Å; D628-H687 IonicContact OD1-CE1 3.8Å; D628-H687 IonicContact OD1-CG 3.75Å; D628-H687 IonicContact OD1-ND1 3.55Å; D628-H687 PolarHBondContact OD1-ND1 3.38Å; D628-H687 IonicContact OD2-CE1 2.98Å; D628-H687 PolarHBondContact OD2-CE1 2.86Å; D628-H687 IonicContact OD2-ND1 3.29Å; D628-H687 PolarHBondContact OD2-ND1 3.06Å
629	N	97.6	Very high	97.1	Very high	55 Å²	55	40 Å²	40	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-64.2	-42.9	174.6	-72.6	-6.9	0	0	0	111.5	N625 W627 R632 W633	N625-N629 WeakPolarHBondContact O-CB 3.34Å; N625-N629 VanDerWaalsContact O-CG 3.25Å; N625-N629 PolarHBondContact O-N 3.46Å; W627-N629 VanDerWaalsContact C-N 3.33Å; W627-N629 PolarHBondContact O-N 3.14Å; N629-R632 PolarHBondContact OD1-NH1 3.49Å; N629-W633 VanDerWaalsContact O-CB 3.3Å; N629-W633 WeakPolarHBondContact O-CB 3.44Å; N629-W633 PolarHBondContact O-N 3.11Å
630	L	98.3	Very high	96.9	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-44.4	177.4	-175.5	65.4	0	0	0	111.8	T585 L617 I619 E626 W627 W633 A634 I648 F693	T585-L630 HydrophobicContact CG2-CD1 3.77Å; L617-L630 HydrophobicContact CB-CD2 4.23Å; L617-L630 HydrophobicContact CD1-CD1 4.22Å; L617-L630 HydrophobicContact CD1-CD2 4.39Å; L617-L630 HydrophobicContact CD2-CD1 4.46Å; I619-L630 HydrophobicContact CD1-CB 4.29Å; I619-L630 HydrophobicContact CD1-CD2 3.75Å; I619-L630 HydrophobicContact CG1-CD2 4.15Å; E626-L630 VanDerWaalsContact O-CB 3.28Å; E626-L630 WeakPolarHBondContact O-CB 3.41Å; E626-L630 PolarHBondContact O-N 2.85Å; W627-L630 PolarHBondContact O-N 3.09Å; L630-W633 HydrophobicContact CD1-CE3 3.77Å; L630-W633 HydrophobicContact CD1-CZ3 4.08Å; L630-W633 WeakPolarHBondContact O-CB 3.27Å; L630-W633 PolarHBondContact O-N 3.15Å; L630-A634 PolarHBondContact O-N 3.02Å; L630-I648 HydrophobicContact CD2-CD1 4.11Å; L630-F693 HydrophobicContact CD2-CE1 4.02Å; L630-F693 HydrophobicContact CD2-CZ 4.31Å; L630-F693 HydrophobicContact CG-CE1 4.23Å; L630-F693 HydrophobicContact CG-CZ 4.39Å
631	A	98	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-45.8	178.4	0	0	0	0	0	111.5	W627 W633 A634 I635 E689 L690 F693	W627-A631 WeakPolarHBondContact O-CB 3.35Å; W627-A631 PolarHBondContact O-N 3.03Å; A631-W633 VanDerWaalsContact C-N 3.35Å; A631-W633 PolarHBondContact O-N 3.1Å; A631-A634 PolarHBondContact O-N 3.48Å; A631-I635 WeakPolarHBondContact O-CG1 3.41Å; A631-I635 PolarHBondContact O-N 3.3Å; A631-E689 HydrophobicContact CB-CB 4.05Å; A631-L690 HydrophobicContact CB-CB 4.18Å; A631-L690 HydrophobicContact CB-CD1 4.24Å; A631-F693 HydrophobicContact CB-CB 3.83Å; A631-F693 HydrophobicContact CB-CD1 4.25Å; A631-F693 HydrophobicContact CB-CG 4.23Å
632	R	97.5	Very high	96.6	Very high	85 Å²	85	43.6 Å²	43.6	32%	0.321	21%	0.212	S	C	.	.	H	α-helix	trans	-61.2	-42.5	175.1	-168.7	-179.4	-53.9	103.5	5.7	111.9	D628 N629 A634 I635 D636	D628-R632 WeakPolarHBondContact O-CB 3.32Å; D628-R632 PolarHBondContact O-N 2.97Å; N629-R632 PolarHBondContact OD1-NH1 3.49Å; R632-A634 VanDerWaalsContact C-N 3.35Å; R632-A634 PolarHBondContact O-N 3.48Å; R632-I635 PolarHBondContact O-N 3.24Å; R632-D636 WeakPolarHBondContact CG-OD2 3.35Å; R632-D636 WeakPolarHBondContact O-CB 3.49Å; R632-D636 VanDerWaalsContact O-CG 3.25Å; R632-D636 PolarHBondContact O-N 3.19Å
633	W	98	Very high	96.6	Very high	9 Å²	9	38.6 Å²	38.6	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-57.3	-46.4	173.5	165.2	80.3	0	0	0	112.1	T585 K590 G591 F594 A595 L598 L617 N629 L630 A631 I635 C637 V639	T585-W633 HydrophobicContact CG2-CD2 3.82Å; T585-W633 HydrophobicContact CG2-CE3 3.84Å; T585-W633 HydrophobicContact CG2-CH2 3.79Å; T585-W633 HydrophobicContact CG2-CZ2 3.78Å; T585-W633 HydrophobicContact CG2-CZ3 3.83Å; K590-W633 VanDerWaalsContact O-CD1 3.29Å; G591-W633 PolarHBondContact O-NE1 2.87Å; F594-W633 HydrophobicContact CD1-CH2 4.5Å; F594-W633 AromaticContact CD1-CZ2 3.95Å; F594-W633 HydrophobicContact CD1-CZ2 3.95Å; F594-W633 HydrophobicContact CE1-CZ2 4.41Å; A595-W633 HydrophobicContact CB-CZ2 4.02Å; L598-W633 HydrophobicContact CD1-CH2 3.53Å; L598-W633 HydrophobicContact CD1-CZ2 3.78Å; L617-W633 HydrophobicContact CD1-CZ3 4.07Å; L617-W633 HydrophobicContact CD2-CH2 4.12Å; L617-W633 HydrophobicContact CD2-CZ3 4.05Å; N629-W633 VanDerWaalsContact O-CB 3.3Å; N629-W633 WeakPolarHBondContact O-CB 3.44Å; N629-W633 PolarHBondContact O-N 3.11Å; L630-W633 HydrophobicContact CD1-CE3 3.77Å; L630-W633 HydrophobicContact CD1-CZ3 4.08Å; L630-W633 WeakPolarHBondContact O-CB 3.27Å; L630-W633 PolarHBondContact O-N 3.15Å; A631-W633 VanDerWaalsContact C-N 3.35Å; A631-W633 PolarHBondContact O-N 3.1Å; W633-I635 PolarHBondContact O-N 3.45Å; W633-C637 VanDerWaalsContact O-CB 3.24Å; W633-C637 WeakPolarHBondContact O-CB 3.49Å; W633-C637 PolarHBondContact O-N 3.42Å; W633-V639 HydrophobicContact CH2-CB 4.32Å; W633-V639 HydrophobicContact CH2-CG1 3.92Å; W633-V639 HydrophobicContact CH2-CG2 4.16Å; W633-V639 HydrophobicContact CZ2-CG1 4.37Å; W633-V639 HydrophobicContact CZ2-CG2 4Å; W633-V639 HydrophobicContact CZ3-CG1 4.46Å
634	A	97.2	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.4	-40.9	-179.7	0	0	0	0	0	112.1	L630 A631 R632 K638 V639 F693	L630-A634 PolarHBondContact O-N 3.02Å; A631-A634 PolarHBondContact O-N 3.48Å; R632-A634 VanDerWaalsContact C-N 3.35Å; R632-A634 PolarHBondContact O-N 3.48Å; A634-K638 CarbonylContact O-C 3.48Å; A634-K638 VanDerWaalsContact O-CA 3.31Å; A634-K638 WeakPolarHBondContact O-CA 3.5Å; A634-K638 PolarHBondContact O-N 3.4Å; A634-K638 VanDerWaalsContact O-N 3.11Å; A634-V639 PolarHBondContact O-N 3.42Å; A634-F693 HydrophobicContact CB-CD2 3.65Å; A634-F693 HydrophobicContact CB-CE2 3.79Å
635	I	96.2	Very high	96.8	Very high	36 Å²	36	34.9 Å²	34.9	19%	0.185	17%	0.17	C	C	.	.	H	α-helix	trans	-75.1	-53.5	-179.6	-64.3	177.4	0	0	0	111.2	F359 A631 R632 W633 C637 K638 E689 A692	F359-I635 HydrophobicContact CB-CD1 4.42Å; F359-I635 HydrophobicContact CB-CG1 4.17Å; F359-I635 HydrophobicContact CD1-CG1 3.95Å; F359-I635 HydrophobicContact CD2-CG1 4.17Å; F359-I635 HydrophobicContact CE1-CG1 4.37Å; F359-I635 HydrophobicContact CG-CG1 3.83Å; A631-I635 WeakPolarHBondContact O-CG1 3.41Å; A631-I635 PolarHBondContact O-N 3.3Å; R632-I635 PolarHBondContact O-N 3.24Å; W633-I635 PolarHBondContact O-N 3.45Å; I635-C637 VanDerWaalsContact C-N 3.28Å; I635-C637 PolarHBondContact O-N 2.95Å; I635-K638 WeakPolarHBondContact O-CG 3.47Å; I635-K638 PolarHBondContact O-N 3.08Å; I635-E689 HydrophobicContact CD1-CB 3.59Å; I635-E689 HydrophobicContact CD1-CG 3.85Å; I635-A692 HydrophobicContact CD1-CB 4.15Å
636	D	96.2	Very high	96.8	Very high	100 Å²	100	31.1 Å²	31.1	54%	0.535	15%	0.149	S	C	.	.	H	α-helix	trans	-58.5	-41.8	-177.5	-73.9	-5.1	0	0	0	111.3	R632 K638	R632-D636 WeakPolarHBondContact CG-OD2 3.35Å; R632-D636 WeakPolarHBondContact O-CB 3.49Å; R632-D636 VanDerWaalsContact O-CG 3.25Å; R632-D636 PolarHBondContact O-N 3.19Å; D636-K638 VanDerWaalsContact C-N 3.33Å
637	C	95.5	Very high	96.9	Very high	24 Å²	24	29.9 Å²	29.9	16%	0.162	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3	178.5	-61.2	0	0	0	0	113.4	A595 K599 W633 I635 V639	A595-C637 HydrophobicContact CB-CB 3.45Å; A595-C637 VanDerWaalsContact CB-CB 3.45Å; K599-C637 PolarHBondContact NZ-O 2.89Å; W633-C637 VanDerWaalsContact O-CB 3.24Å; W633-C637 WeakPolarHBondContact O-CB 3.49Å; W633-C637 PolarHBondContact O-N 3.42Å; I635-C637 VanDerWaalsContact C-N 3.28Å; I635-C637 PolarHBondContact O-N 2.95Å; C637-V639 HydrophobicContact CB-CG2 3.63Å
638	K	95	Very high	96.9	Very high	128 Å²	128	29.9 Å²	29.9	56%	0.557	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	57.7	-174.9	-57.2	-174.3	179.3	-166	0	111.9	K599 A634 I635 D636 Y640	K599-K638 PolarHBondContact NZ-O 2.98Å; A634-K638 CarbonylContact O-C 3.48Å; A634-K638 VanDerWaalsContact O-CA 3.31Å; A634-K638 WeakPolarHBondContact O-CA 3.5Å; A634-K638 PolarHBondContact O-N 3.4Å; A634-K638 VanDerWaalsContact O-N 3.11Å; I635-K638 WeakPolarHBondContact O-CG 3.47Å; I635-K638 PolarHBondContact O-N 3.08Å; D636-K638 VanDerWaalsContact C-N 3.33Å; K638-Y640 PolarHBondContact O-N 3.15Å
639	V	96	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.			trans	-88.7	78.9	-177.8	-165.6	0	0	0	0	109	A595 L598 F602 W633 A634 C637 W646	A595-V639 HydrophobicContact CB-CG2 3.58Å; L598-V639 HydrophobicContact CB-CG1 4.27Å; L598-V639 HydrophobicContact CD1-CG1 4.16Å; F602-V639 HydrophobicContact CE2-CG1 3.83Å; F602-V639 HydrophobicContact CZ-CG1 4.41Å; W633-V639 HydrophobicContact CH2-CB 4.32Å; W633-V639 HydrophobicContact CH2-CG1 3.92Å; W633-V639 HydrophobicContact CH2-CG2 4.16Å; W633-V639 HydrophobicContact CZ2-CG1 4.37Å; W633-V639 HydrophobicContact CZ2-CG2 4Å; W633-V639 HydrophobicContact CZ3-CG1 4.46Å; A634-V639 PolarHBondContact O-N 3.42Å; C637-V639 HydrophobicContact CB-CG2 3.63Å; V639-W646 HydrophobicContact CG1-CH2 4.32Å; V639-W646 HydrophobicContact CG1-CZ2 3.98Å
640	Y	94.5	Very high	96.9	Very high	49 Å²	49	27 Å²	27	19%	0.192	13%	0.127	C	C	.	.			trans	-139.4	147.2	-174.8	174.1	-98.4	0	0	0	111.2	P358 K638 D642 Y696	P358-Y640 HydrophobicContact CB-CD1 3.51Å; P358-Y640 HydrophobicContact CB-CD2 3.76Å; P358-Y640 HydrophobicContact CB-CE1 3.58Å; P358-Y640 HydrophobicContact CB-CE2 3.84Å; P358-Y640 HydrophobicContact CB-CG 3.58Å; P358-Y640 HydrophobicContact CG-CD1 3.5Å; P358-Y640 VanDerWaalsContact CG-CD1 3.5Å; P358-Y640 HydrophobicContact CG-CD2 4.17Å; P358-Y640 HydrophobicContact CG-CE1 4.08Å; P358-Y640 HydrophobicContact CG-CG 3.53Å; K638-Y640 PolarHBondContact O-N 3.15Å; Y640-D642 WeakPolarHBondContact CE1-OD1 3.42Å; Y640-D642 VanDerWaalsContact CZ-OD1 3.28Å; Y640-D642 PolarHBondContact OH-OD1 2.66Å; Y640-Y696 HydrophobicContact CD2-CD1 4.25Å; Y640-Y696 HydrophobicContact CD2-CE1 4.06Å; Y640-Y696 HydrophobicContact CD2-CE2 4.26Å; Y640-Y696 HydrophobicContact CD2-CG 4.49Å; Y640-Y696 AromaticContact CE2-CD1 3.73Å; Y640-Y696 HydrophobicContact CE2-CD1 3.73Å; Y640-Y696 AromaticContact CE2-CE1 3.29Å; Y640-Y696 HydrophobicContact CE2-CE1 3.29Å; Y640-Y696 HydrophobicContact CE2-CE2 4.24Å; Y640-Y696 HydrophobicContact CE2-CG 4.4Å; Y640-Y696 AromaticContact CE2-CZ 3.55Å
641	S	94.8	Very high	96.9	Very high	10 Å²	10	27.3 Å²	27.3	7%	0.07	13%	0.13	C	C	.	.			trans	-155.9	145.3	165.3	169.4	0	0	0	0	109.8	S606 N643 I644	S606-S641 PolarHBondContact OG-OG 3.5Å; S641-N643 PolarHBondContact O-N 3.31Å; S641-N643 PolarHBondContact OG-N 3.11Å; S641-I644 PolarHBondContact O-N 3.49Å; S641-I644 VanDerWaalsContact O-N 3.14Å
642	D	93.8	Very high	96.9	Very high	56 Å²	56	27.8 Å²	27.8	30%	0.299	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-28.1	176.1	-72.2	-21.2	0	0	0	112	Y640 I644 R645 F883	Y640-D642 WeakPolarHBondContact CE1-OD1 3.42Å; Y640-D642 VanDerWaalsContact CZ-OD1 3.28Å; Y640-D642 PolarHBondContact OH-OD1 2.66Å; D642-I644 VanDerWaalsContact C-N 3.29Å; D642-I644 PolarHBondContact O-N 3.18Å; D642-R645 PolarHBondContact O-NH2 2.96Å; D642-F883 WeakPolarHBondContact O-CE1 3.48Å
643	N	96.6	Very high	96.9	Very high	17 Å²	17	25.9 Å²	25.9	9%	0.091	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	1.8	-179.8	-60.9	94.8	0	0	0	113.9	F605 S606 K609 Q611 N612 A613 S641 F883	F605-N643 HydrophobicContact CB-CB 4.08Å; S606-N643 WeakPolarHBondContact CA-OD1 3.47Å; S606-N643 PolarHBondContact OG-OD1 3.23Å; S606-N643 VanDerWaalsContact OG-OD1 3.06Å; K609-N643 PolarHBondContact O-ND2 2.78Å; Q611-N643 PolarHBondContact O-ND2 3.45Å; N612-N643 WeakPolarHBondContact CA-O 3.42Å; N612-N643 WeakPolarHBondContact CB-O 3.42Å; N612-N643 PolarHBondContact OD1-ND2 3.25Å; A613-N643 PolarHBondContact N-O 2.95Å; S641-N643 PolarHBondContact O-N 3.31Å; S641-N643 PolarHBondContact OG-N 3.11Å; N643-F883 WeakPolarHBondContact O-CZ 3.36Å
644	I	97.8	Very high	96.8	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-123.6	137.6	-172	-60.5	-64.1	0	0	0	110.9	F602 F605 A613 P615 S641 D642 W646	F602-I644 HydrophobicContact CD1-CD1 3.73Å; F602-I644 HydrophobicContact CD1-CG1 3.61Å; F602-I644 HydrophobicContact CD2-CG1 4.19Å; F602-I644 HydrophobicContact CE1-CB 4.47Å; F602-I644 HydrophobicContact CE1-CD1 3.66Å; F602-I644 HydrophobicContact CE1-CG1 3.63Å; F602-I644 HydrophobicContact CE1-CG2 4.12Å; F602-I644 HydrophobicContact CE2-CG1 4.17Å; F602-I644 HydrophobicContact CE2-CG2 4.25Å; F602-I644 HydrophobicContact CG-CD1 4.49Å; F602-I644 HydrophobicContact CG-CG1 3.91Å; F602-I644 HydrophobicContact CZ-CB 4.31Å; F602-I644 HydrophobicContact CZ-CD1 4.34Å; F602-I644 HydrophobicContact CZ-CG1 3.9Å; F602-I644 HydrophobicContact CZ-CG2 3.75Å; F605-I644 HydrophobicContact CD2-CD1 3.99Å; F605-I644 HydrophobicContact CE2-CD1 4.3Å; A613-I644 HydrophobicContact CB-CD1 3.83Å; A613-I644 WeakPolarHBondContact O-CA 3.5Å; P615-I644 HydrophobicContact CG-CD1 4.44Å; P615-I644 HydrophobicContact CG-CG2 3.6Å; S641-I644 PolarHBondContact O-N 3.49Å; S641-I644 VanDerWaalsContact O-N 3.14Å; D642-I644 VanDerWaalsContact C-N 3.29Å; D642-I644 PolarHBondContact O-N 3.18Å; I644-W646 HydrophobicContact CG2-CD2 4.38Å; I644-W646 HydrophobicContact CG2-CZ2 4.16Å
645	R	97.7	Very high	96.8	Very high	24 Å²	24	27.7 Å²	27.7	9%	0.091	14%	0.138	C	C	.	.			trans	-129.9	148.3	166.2	-60.9	-64.3	138.2	171.9	-5.8	109.5	A613 E614 P615 D642 T698 F883	A613-R645 PolarHBondContact O-N 2.88Å; E614-R645 CarbonylContact C-O 3.52Å; E614-R645 WeakPolarHBondContact CA-O 3.36Å; P615-R645 VanDerWaalsContact CD-O 3.3Å; P615-R645 WeakPolarHBondContact CD-O 3.39Å; D642-R645 PolarHBondContact O-NH2 2.96Å; R645-T698 HydrophobicContact CB-CG2 3.79Å; R645-T698 HydrophobicContact CG-CG2 4.14Å; R645-F883 HydrophobicContact CG-CD1 3.73Å; R645-F883 HydrophobicContact CG-CD2 4.06Å; R645-F883 HydrophobicContact CG-CE1 3.63Å; R645-F883 HydrophobicContact CG-CE2 3.96Å; R645-F883 HydrophobicContact CG-CG 3.94Å; R645-F883 HydrophobicContact CG-CZ 3.73Å
646	W	98.4	Very high	96.7	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.015	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.7	-174.7	-62.9	112.8	0	0	0	111.4	A495 L598 F602 P615 L617 V639 I644 F693 Y696 V697 T698	A495-W646 HydrophobicContact CB-CZ3 4.14Å; L598-W646 HydrophobicContact CD1-CH2 4.27Å; F602-W646 HydrophobicContact CE1-CH2 4.49Å; F602-W646 HydrophobicContact CE2-CH2 4.19Å; F602-W646 AromaticContact CE2-CZ2 3.91Å; F602-W646 HydrophobicContact CE2-CZ2 3.91Å; F602-W646 AromaticContact CZ-CH2 3.49Å; F602-W646 HydrophobicContact CZ-CH2 3.49Å; F602-W646 VanDerWaalsContact CZ-CH2 3.49Å; F602-W646 AromaticContact CZ-CZ2 3.62Å; F602-W646 HydrophobicContact CZ-CZ2 3.62Å; F602-W646 HydrophobicContact CZ-CZ3 4.47Å; P615-W646 HydrophobicContact CB-CE3 4.03Å; P615-W646 HydrophobicContact CB-CZ3 3.65Å; P615-W646 HydrophobicContact CG-CD2 4.42Å; P615-W646 HydrophobicContact CG-CE3 3.58Å; P615-W646 HydrophobicContact CG-CH2 4.04Å; P615-W646 HydrophobicContact CG-CZ3 3.37Å; L617-W646 HydrophobicContact CD1-CD2 3.58Å; L617-W646 HydrophobicContact CD1-CE3 3.32Å; L617-W646 HydrophobicContact CD1-CG 4.15Å; L617-W646 HydrophobicContact CD1-CH2 4.07Å; L617-W646 HydrophobicContact CD1-CZ2 4.33Å; L617-W646 HydrophobicContact CD1-CZ3 3.59Å; L617-W646 HydrophobicContact CD2-CE3 4.39Å; L617-W646 HydrophobicContact CD2-CH2 4.44Å; L617-W646 HydrophobicContact CD2-CZ3 3.92Å; L617-W646 HydrophobicContact CG-CD2 4.26Å; L617-W646 HydrophobicContact CG-CE3 3.48Å; L617-W646 VanDerWaalsContact CG-CE3 3.48Å; L617-W646 HydrophobicContact CG-CH2 4.33Å; L617-W646 HydrophobicContact CG-CZ3 3.52Å; V639-W646 HydrophobicContact CG1-CH2 4.32Å; V639-W646 HydrophobicContact CG1-CZ2 3.98Å; I644-W646 HydrophobicContact CG2-CD2 4.38Å; I644-W646 HydrophobicContact CG2-CZ2 4.16Å; W646-F693 AromaticContact CD1-CE2 3.72Å; W646-F693 HydrophobicContact CG-CE2 4.27Å; W646-F693 HydrophobicContact CG-CZ 4.32Å; W646-F693 AromaticContact NE1-CE2 3.99Å; W646-Y696 PolarHBondContact N-O 3.04Å; W646-V697 HydrophobicContact CB-CG2 4.13Å; W646-V697 CarbonylContact O-C 3.58Å; W646-V697 VanDerWaalsContact O-CA 3.32Å; W646-V697 WeakPolarHBondContact O-CA 3.29Å; W646-T698 PolarHBondContact O-N 2.84Å; W646-T698 PolarHBondContact O-OG1 2.84Å
647	L	98.5	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.2	160.3	-86.9	84.8	0	0	0	109.3	E614 P615 R616 L617 T698 G699 R761	E614-L647 HydrophobicContact CB-CD1 3.84Å; E614-L647 HydrophobicContact CG-CD1 4.45Å; P615-L647 PolarHBondContact O-N 2.97Å; R616-L647 CarbonylContact C-O 3.51Å; R616-L647 VanDerWaalsContact CA-O 3.29Å; R616-L647 WeakPolarHBondContact CA-O 3.25Å; L617-L647 PolarHBondContact N-O 3.26Å; L647-T698 WeakPolarHBondContact CD1-OG1 3.47Å; L647-G699 WeakPolarHBondContact CA-O 3.48Å; L647-R761 HydrophobicContact CD2-CB 3.99Å; L647-R761 HydrophobicContact CD2-CG 4.41Å
648	I	98.7	Very high	96.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.1	-177.5	-57.6	-59.9	0	0	0	109.4	L617 I619 W627 L630 F693 V697 G699 F700 D701	L617-I648 HydrophobicContact CB-CD1 3.95Å; L617-I648 CarbonylContact O-C 3.49Å; L617-I648 WeakPolarHBondContact O-CA 3.22Å; I619-I648 HydrophobicContact CB-CG2 3.76Å; I619-I648 HydrophobicContact CG1-CG2 3.52Å; W627-I648 HydrophobicContact CH2-CB 4.09Å; W627-I648 HydrophobicContact CH2-CD1 4.34Å; W627-I648 HydrophobicContact CH2-CG1 3.61Å; W627-I648 HydrophobicContact CH2-CG2 3.85Å; W627-I648 HydrophobicContact CZ2-CG2 4.01Å; W627-I648 HydrophobicContact CZ3-CD1 4.26Å; W627-I648 HydrophobicContact CZ3-CG1 3.98Å; L630-I648 HydrophobicContact CD2-CD1 4.11Å; I648-F693 HydrophobicContact CD1-CE1 4.42Å; I648-V697 HydrophobicContact CD1-CG1 4.48Å; I648-V697 HydrophobicContact CD1-CG2 4.4Å; I648-V697 HydrophobicContact CG1-CG1 3.68Å; I648-V697 HydrophobicContact CG1-CG2 4.4Å; I648-G699 PolarHBondContact N-O 2.91Å; I648-F700 HydrophobicContact CB-CD1 4.23Å; I648-F700 HydrophobicContact CB-CE1 4.38Å; I648-F700 HydrophobicContact CG2-CD1 4.44Å; I648-F700 HydrophobicContact CG2-CE1 4.44Å; I648-F700 CarbonylContact O-C 3.59Å; I648-F700 VanDerWaalsContact O-CA 3.26Å; I648-F700 WeakPolarHBondContact O-CA 3.46Å; I648-D701 PolarHBondContact O-N 3.39Å
649	Q	98.6	Very high	96.7	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.061	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.9	175.7	71.9	-174.3	22.1	0	0	111	H494 R616 L617 S618 I619 P651 D701 V703	H494-Q649 PolarHBondContact CE1-OE1 2.88Å; H494-Q649 PolarHBondContact ND1-OE1 3.23Å; R616-Q649 HydrophobicContact CB-CB 4.25Å; R616-Q649 HydrophobicContact CB-CG 4.24Å; L617-Q649 PolarHBondContact O-N 3.4Å; S618-Q649 WeakPolarHBondContact CA-O 3.4Å; S618-Q649 PolarHBondContact OG-NE2 3.15Å; I619-Q649 PolarHBondContact N-O 2.98Å; Q649-P651 WeakPolarHBondContact O-CD 3.42Å; Q649-D701 WeakPolarHBondContact CA-O 3.22Å; Q649-D701 HydrophobicContact CB-CB 3.99Å; Q649-V703 HydrophobicContact CB-CG1 4.06Å; Q649-V703 HydrophobicContact CB-CG2 4.1Å; Q649-V703 HydrophobicContact CG-CG2 4.12Å
650	V	98.6	Very high	96.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.5	172.5	-176.4	0	0	0	0	109	I619 V673 D701 V703 M739	I619-V650 WeakPolarHBondContact O-CA 3.48Å; V650-V673 HydrophobicContact CG1-CG2 4.25Å; V650-V673 HydrophobicContact CG2-CG1 4.15Å; V650-V673 HydrophobicContact CG2-CG2 4.34Å; V650-D701 PolarHBondContact N-O 3.31Å; V650-V703 PolarHBondContact O-N 2.93Å; V650-M739 HydrophobicContact CB-CE 3.96Å; V650-M739 HydrophobicContact CB-SD 4.32Å; V650-M739 HydrophobicContact CG2-CE 3.8Å
651	P	98.1	Very high	96.5	Very high	13 Å²	13	31.1 Å²	31.1	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	133.2	175.9	-25.4	36.9	0	0	0	112.7	Y620 Q649 L653 V703	Y620-P651 HydrophobicContact CD1-CB 4.41Å; Y620-P651 HydrophobicContact CD1-CG 3.82Å; Y620-P651 HydrophobicContact CE1-CG 3.85Å; Q649-P651 WeakPolarHBondContact O-CD 3.42Å; P651-L653 VanDerWaalsContact C-N 3.3Å; P651-L653 HydrophobicContact CB-CD1 3.78Å; P651-L653 HydrophobicContact CB-CG 3.93Å; P651-L653 PolarHBondContact O-N 2.72Å; P651-V703 CarbonylContact C-O 3.46Å; P651-V703 VanDerWaalsContact CA-O 3.22Å; P651-V703 WeakPolarHBondContact CA-O 3.37Å; P651-V703 HydrophobicContact CB-CG2 4.15Å; P651-V703 HydrophobicContact CG-CG2 3.91Å
652	R	97.9	Very high	96.3	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.038	20%	0.203	C	C	.	.			trans	-80.2	68.9	-178.2	-57.5	-175.9	-68	-83	1.5	112.4	S702 V703 D704 N729 Y735	R652-S702 WeakPolarHBondContact CD-OG 3.43Å; R652-S702 WeakPolarHBondContact CG-OG 3.39Å; R652-S702 PolarHBondContact NH1-O 2.92Å; R652-S702 PolarHBondContact NH1-OG 3.47Å; R652-V703 PolarHBondContact N-O 2.86Å; R652-D704 HydrophobicContact CB-CB 3.87Å; R652-D704 HydrophobicContact CG-CB 4.4Å; R652-D704 PolarHBondContact NH2-O 3.13Å; R652-D704 VanDerWaalsContact NH2-O 3.15Å; R652-N729 PolarHBondContact O-ND2 3.48Å; R652-Y735 HydrophobicContact CB-CD1 4.32Å; R652-Y735 HydrophobicContact CB-CD2 4.27Å; R652-Y735 HydrophobicContact CB-CE1 3.93Å; R652-Y735 HydrophobicContact CB-CE2 3.88Å; R652-Y735 HydrophobicContact CB-CG 4.46Å; R652-Y735 HydrophobicContact CG-CD1 3.84Å; R652-Y735 HydrophobicContact CG-CD2 4.04Å; R652-Y735 HydrophobicContact CG-CE1 3.96Å; R652-Y735 HydrophobicContact CG-CE2 4.16Å; R652-Y735 HydrophobicContact CG-CG 3.87Å
653	L	96.4	Very high	96.2	Very high	45 Å²	45	31.7 Å²	31.7	24%	0.236	19%	0.191	C	C	.	.			trans	-119.3	27	-170	-60.9	176.7	0	0	0	114	P651 D655 V656 Y657	P651-L653 VanDerWaalsContact C-N 3.3Å; P651-L653 HydrophobicContact CB-CD1 3.78Å; P651-L653 HydrophobicContact CB-CG 3.93Å; P651-L653 PolarHBondContact O-N 2.72Å; L653-D655 VanDerWaalsContact C-N 3.31Å; L653-D655 PolarHBondContact O-N 2.82Å; L653-V656 HydrophobicContact CB-CB 4.46Å; L653-V656 HydrophobicContact CD2-CG2 4.35Å; L653-V656 WeakPolarHBondContact O-CB 3.23Å; L653-V656 PolarHBondContact O-N 3.41Å; L653-V656 VanDerWaalsContact O-N 3.17Å; L653-Y657 HydrophobicContact CB-CE1 4.03Å; L653-Y657 HydrophobicContact CB-CE2 3.98Å; L653-Y657 WeakPolarHBondContact O-CD2 3.25Å; L653-Y657 PolarHBondContact O-N 3.45Å
654	F	96.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-55.3	-45.8	179.5	171.9	-101.7	0	0	0	112.5	V656 Y657 H658 F666 I669 Y724 L726 N729 P730 Y735	F654-V656 VanDerWaalsContact C-N 3.25Å; F654-V656 PolarHBondContact O-N 3.2Å; F654-Y657 PolarHBondContact O-N 2.88Å; F654-H658 HydrophobicContact CD1-CB 4.43Å; F654-H658 HydrophobicContact CE1-CB 4.02Å; F654-H658 HydrophobicContact CE2-CB 4.24Å; F654-H658 HydrophobicContact CZ-CB 3.93Å; F654-H658 AromaticContact CZ-CD2 3.73Å; F654-H658 AromaticContact CZ-CG 3.99Å; F654-H658 WeakPolarHBondContact O-CB 3.06Å; F654-H658 PolarHBondContact O-N 3.42Å; F654-F666 HydrophobicContact CB-CD2 3.94Å; F654-F666 HydrophobicContact CB-CE2 4.13Å; F654-F666 HydrophobicContact CD1-CD2 4.4Å; F654-F666 HydrophobicContact CD2-CB 4.3Å; F654-F666 AromaticContact CD2-CD2 3.73Å; F654-F666 HydrophobicContact CD2-CD2 3.73Å; F654-F666 HydrophobicContact CD2-CG 4.48Å; F654-F666 HydrophobicContact CE2-CB 4.08Å; F654-F666 HydrophobicContact CE2-CD2 4.36Å; F654-F666 AromaticContact CG-CD2 3.75Å; F654-F666 HydrophobicContact CG-CD2 3.75Å; F654-F666 HydrophobicContact CG-CE2 4.44Å; F654-F666 HydrophobicContact CZ-CB 4.38Å; F654-I669 HydrophobicContact CB-CD1 3.62Å; F654-I669 HydrophobicContact CD2-CD1 3.7Å; F654-I669 HydrophobicContact CD2-CG1 4.3Å; F654-I669 HydrophobicContact CG-CD1 4.14Å; F654-Y724 HydrophobicContact CD1-CD1 4.44Å; F654-Y724 HydrophobicContact CD1-CE1 4.2Å; F654-Y724 AromaticContact CE1-CD1 3.75Å; F654-Y724 HydrophobicContact CE1-CD1 3.75Å; F654-Y724 AromaticContact CE1-CE1 3.76Å; F654-Y724 HydrophobicContact CE1-CE1 3.76Å; F654-Y724 HydrophobicContact CZ-CD1 4.16Å; F654-L726 WeakPolarHBondContact CE1-O 3.35Å; F654-N729 PolarHBondContact N-OD1 3.02Å; F654-P730 HydrophobicContact CD1-CG 4.3Å; F654-Y735 WeakPolarHBondContact CB-OH 3.45Å; F654-Y735 PolarHBondContact N-OH 3.02Å
655	D	95.6	Very high	96	Very high	46 Å²	46	39.6 Å²	39.6	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-52.7	-42.5	177	60.6	-29.3	0	0	0	112.6	L653 A659 N729	L653-D655 VanDerWaalsContact C-N 3.31Å; L653-D655 PolarHBondContact O-N 2.82Å; D655-A659 WeakPolarHBondContact O-CB 3.19Å; D655-A659 PolarHBondContact O-N 3.34Å; D655-N729 HydrophobicContact CB-CB 3.81Å
656	V	95.5	Very high	96	Very high	53 Å²	53	38.5 Å²	38.5	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-66.8	-38.4	177.4	-178.8	0	0	0	0	111.7	L653 F654 K660	L653-V656 HydrophobicContact CB-CB 4.46Å; L653-V656 HydrophobicContact CD2-CG2 4.35Å; L653-V656 WeakPolarHBondContact O-CB 3.23Å; L653-V656 PolarHBondContact O-N 3.41Å; L653-V656 VanDerWaalsContact O-N 3.17Å; F654-V656 VanDerWaalsContact C-N 3.25Å; F654-V656 PolarHBondContact O-N 3.2Å; V656-K660 HydrophobicContact CG1-CD 4.4Å; V656-K660 VanDerWaalsContact O-CG 3.29Å; V656-K660 WeakPolarHBondContact O-CG 3.11Å; V656-K660 PolarHBondContact O-N 3Å
657	Y	95.7	Very high	96	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-77.2	-40.5	-178.2	-55.1	-23.9	0	0	0	111.8	Y620 R622 L653 F654 K660 G661 S662 M663 I669	Y620-Y657 WeakPolarHBondContact CD1-OH 3.31Å; Y620-Y657 WeakPolarHBondContact O-CE2 3.42Å; R622-Y657 VanDerWaalsContact CD-CE1 3.47Å; R622-Y657 HydrophobicContact CG-CD1 4.04Å; R622-Y657 HydrophobicContact CG-CD2 3.77Å; R622-Y657 HydrophobicContact CG-CE1 3.84Å; R622-Y657 HydrophobicContact CG-CE2 3.5Å; R622-Y657 VanDerWaalsContact CG-CE2 3.5Å; R622-Y657 HydrophobicContact CG-CG 4.05Å; L653-Y657 HydrophobicContact CB-CE1 4.03Å; L653-Y657 HydrophobicContact CB-CE2 3.98Å; L653-Y657 WeakPolarHBondContact O-CD2 3.25Å; L653-Y657 PolarHBondContact O-N 3.45Å; F654-Y657 PolarHBondContact O-N 2.88Å; Y657-K660 PolarHBondContact O-N 3.18Å; Y657-G661 PolarHBondContact O-N 3.45Å; Y657-S662 WeakPolarHBondContact CA-OG 3.28Å; Y657-S662 PolarHBondContact O-N 3.05Å; Y657-S662 PolarHBondContact O-OG 3.26Å; Y657-M663 HydrophobicContact CD2-CE 4.03Å; Y657-M663 HydrophobicContact CD2-SD 3.89Å; Y657-M663 HydrophobicContact CG-SD 4.25Å; Y657-I669 HydrophobicContact CD2-CD1 4.14Å
658	H	95.2	Very high	95.9	Very high	33 Å²	33	42 Å²	42	15%	0.153	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-46.4	174.9	-172.7	-92.7	0	0	0	111	F654 K660 G661 M663 K664 D725 N727	F654-H658 HydrophobicContact CD1-CB 4.43Å; F654-H658 HydrophobicContact CE1-CB 4.02Å; F654-H658 HydrophobicContact CE2-CB 4.24Å; F654-H658 HydrophobicContact CZ-CB 3.93Å; F654-H658 AromaticContact CZ-CD2 3.73Å; F654-H658 AromaticContact CZ-CG 3.99Å; F654-H658 WeakPolarHBondContact O-CB 3.06Å; F654-H658 PolarHBondContact O-N 3.42Å; H658-K660 PolarHBondContact O-N 3.07Å; H658-G661 PolarHBondContact O-N 3.29Å; H658-M663 PolarHBondContact CD2-O 2.97Å; H658-K664 PolarHBondContact CD2-O 3.41Å; H658-K664 VanDerWaalsContact CD2-O 3.3Å; H658-K664 PolarHBondContact NE2-O 3.33Å; H658-D725 PolarHBondContact CE1-O 2.92Å; H658-D725 PolarHBondContact NE2-O 3.16Å; H658-N727 PolarHBondContact CE1-OD1 2.85Å; H658-N727 PolarHBondContact ND1-OD1 3.23Å
659	A	95.6	Very high	95.9	Very high	83 Å²	83	42.3 Å²	42.3	69%	0.686	24%	0.239	S	C	*	.	H	α-helix	trans	-62.5	-27.5	177.5	0	0	0	0	0	113.6	D655 G661	D655-A659 WeakPolarHBondContact O-CB 3.19Å; D655-A659 PolarHBondContact O-N 3.34Å; A659-G661 VanDerWaalsContact C-N 3.3Å
660	K	94.3	Very high	95.9	Very high	161 Å²	161	41.9 Å²	41.9	70%	0.7	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.7	174.2	-73.1	176.5	-177.5	179	0	113.5	V656 Y657 H658 S662	V656-K660 HydrophobicContact CG1-CD 4.4Å; V656-K660 VanDerWaalsContact O-CG 3.29Å; V656-K660 WeakPolarHBondContact O-CG 3.11Å; V656-K660 PolarHBondContact O-N 3Å; Y657-K660 PolarHBondContact O-N 3.18Å; H658-K660 PolarHBondContact O-N 3.07Å; K660-S662 PolarHBondContact O-N 3.47Å
661	G	92.7	Very high	95.8	Very high	66 Å²	66	43 Å²	43	68%	0.68	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	17.2	-176.2	0	0	0	0	0	114	Y657 H658 A659 M663	Y657-G661 PolarHBondContact O-N 3.45Å; H658-G661 PolarHBondContact O-N 3.29Å; A659-G661 VanDerWaalsContact C-N 3.3Å; G661-M663 VanDerWaalsContact C-N 3.31Å
662	S	89.4	Confident	95.8	Very high	68 Å²	68	43.5 Å²	43.5	48%	0.476	25%	0.246	S	C	.	.	S	Bend	trans	-79.6	-16	176.8	49.1	0	0	0	0	113.2	Y657 K660	Y657-S662 WeakPolarHBondContact CA-OG 3.28Å; Y657-S662 PolarHBondContact O-N 3.05Å; Y657-S662 PolarHBondContact O-OG 3.26Å; K660-S662 PolarHBondContact O-N 3.47Å
663	M	91.1	Very high	95.9	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.054	25%	0.245	C	C	.	.			trans	-144.3	148.6	178	-68.4	169.5	176.8	0	0	109.4	G621 R622 Y657 H658 G661 D668 I669	G621-M663 WeakPolarHBondContact O-CE 3.25Å; R622-M663 HydrophobicContact CB-CE 4.28Å; R622-M663 HydrophobicContact CG-CE 4.3Å; Y657-M663 HydrophobicContact CD2-CE 4.03Å; Y657-M663 HydrophobicContact CD2-SD 3.89Å; Y657-M663 HydrophobicContact CG-SD 4.25Å; H658-M663 PolarHBondContact CD2-O 2.97Å; G661-M663 VanDerWaalsContact C-N 3.31Å; M663-D668 HydrophobicContact CB-CB 4.08Å; M663-D668 HydrophobicContact CG-CB 3.82Å; M663-D668 HydrophobicContact SD-CB 4.3Å; M663-I669 HydrophobicContact CE-CG1 3.71Å; M663-I669 HydrophobicContact SD-CD1 3.94Å; M663-I669 HydrophobicContact SD-CG1 3.33Å; M663-I669 WeakPolarHBondContact SD-CG1 3.37Å
664	K	94.2	Very high	96	Very high	122 Å²	122	41 Å²	41	53%	0.53	23%	0.234	S	C	.	.	S	Bend	trans	-102	-41.9	177.4	-171.3	-178.6	179.2	-153.8	0	111.5	H658 D668	H658-K664 PolarHBondContact CD2-O 3.41Å; H658-K664 VanDerWaalsContact CD2-O 3.3Å; H658-K664 PolarHBondContact NE2-O 3.33Å; K664-D668 PolarHBondContact N-OD2 3.02Å
665	Y	97.1	Very high	96	Very high	64 Å²	64	43.9 Å²	43.9	25%	0.251	25%	0.247	S	C	.	.	S	Bend	trans	-128.1	155.7	-176.4	-62.8	-70.4	0	0	0	110.9	Q667 D668 D722 Y724 D725	Y665-Q667 PolarHBondContact O-N 3.49Å; Y665-D668 PolarHBondContact N-OD2 2.92Å; Y665-D668 VanDerWaalsContact O-CB 3.29Å; Y665-D668 WeakPolarHBondContact O-CB 3.38Å; Y665-D668 PolarHBondContact O-N 2.9Å; Y665-D722 WeakPolarHBondContact CD1-O 3.48Å; Y665-Y724 WeakPolarHBondContact CA-O 3.24Å; Y665-D725 HydrophobicContact CD1-CB 3.77Å; Y665-D725 HydrophobicContact CE1-CB 3.69Å
666	F	97.9	Very high	96.2	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-25.2	175	-171.2	-97.4	0	0	0	112.7	F654 D668 I669 I670 P721 Y724 P730 Y734 Y735	F654-F666 HydrophobicContact CB-CD2 3.94Å; F654-F666 HydrophobicContact CB-CE2 4.13Å; F654-F666 HydrophobicContact CD1-CD2 4.4Å; F654-F666 HydrophobicContact CD2-CB 4.3Å; F654-F666 AromaticContact CD2-CD2 3.73Å; F654-F666 HydrophobicContact CD2-CD2 3.73Å; F654-F666 HydrophobicContact CD2-CG 4.48Å; F654-F666 HydrophobicContact CE2-CB 4.08Å; F654-F666 HydrophobicContact CE2-CD2 4.36Å; F654-F666 AromaticContact CG-CD2 3.75Å; F654-F666 HydrophobicContact CG-CD2 3.75Å; F654-F666 HydrophobicContact CG-CE2 4.44Å; F654-F666 HydrophobicContact CZ-CB 4.38Å; F666-D668 PolarHBondContact O-N 2.92Å; F666-I669 HydrophobicContact CD2-CD1 4.25Å; F666-I669 HydrophobicContact CE2-CD1 4.13Å; F666-I669 PolarHBondContact O-N 3.18Å; F666-I670 HydrophobicContact CD1-CD1 4.41Å; F666-I670 HydrophobicContact CD1-CG1 3.82Å; F666-I670 HydrophobicContact CE1-CD1 3.71Å; F666-I670 HydrophobicContact CE1-CG1 3.63Å; F666-I670 HydrophobicContact CZ-CD1 4.45Å; F666-I670 PolarHBondContact O-N 3.05Å; F666-P721 HydrophobicContact CB-CB 4.44Å; F666-P721 HydrophobicContact CD1-CB 3.95Å; F666-P721 HydrophobicContact CD1-CG 4.06Å; F666-P721 PolarHBondContact N-O 3.42Å; F666-Y724 HydrophobicContact CB-CD1 4.26Å; F666-Y724 HydrophobicContact CB-CG 4.35Å; F666-Y724 PolarHBondContact N-O 3.47Å; F666-P730 HydrophobicContact CD2-CG 3.71Å; F666-P730 HydrophobicContact CE2-CG 3.91Å; F666-P730 HydrophobicContact CG-CG 4.36Å; F666-Y734 HydrophobicContact CD1-CD1 4.32Å; F666-Y734 AromaticContact CD1-CE1 3.49Å; F666-Y734 HydrophobicContact CD1-CE1 3.49Å; F666-Y734 VanDerWaalsContact CD1-CE1 3.49Å; F666-Y734 HydrophobicContact CE1-CD1 4.02Å; F666-Y734 AromaticContact CE1-CE1 3.61Å; F666-Y734 HydrophobicContact CE1-CE1 3.61Å; F666-Y734 AromaticContact CG-CE1 3.98Å; F666-Y734 HydrophobicContact CG-CE1 3.98Å; F666-Y734 HydrophobicContact CZ-CD1 4.3Å; F666-Y734 HydrophobicContact CZ-CE1 4.25Å; F666-Y735 AromaticContact CE2-CD1 3.99Å; F666-Y735 HydrophobicContact CE2-CD1 3.99Å; F666-Y735 AromaticContact CE2-CE1 3.43Å; F666-Y735 HydrophobicContact CE2-CE1 3.43Å; F666-Y735 VanDerWaalsContact CE2-CE1 3.43Å; F666-Y735 HydrophobicContact CE2-CE2 4.14Å; F666-Y735 AromaticContact CE2-CZ 3.53Å; F666-Y735 AromaticContact CZ-CD1 3.66Å; F666-Y735 HydrophobicContact CZ-CD1 3.66Å; F666-Y735 AromaticContact CZ-CE1 3.59Å; F666-Y735 HydrophobicContact CZ-CE1 3.59Å; F666-Y735 HydrophobicContact CZ-CG 4.19Å
667	Q	97.9	Very high	96.3	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-53.8	-30.9	171.4	-175.5	61.9	55.6	0	0	112.2	F374 Y665 I669 I670 T671 P721 D722	F374-Q667 VanDerWaalsContact CG-NE2 3.26Å; Y665-Q667 PolarHBondContact O-N 3.49Å; Q667-I669 VanDerWaalsContact C-N 3.31Å; Q667-I669 PolarHBondContact O-N 3.23Å; Q667-I670 PolarHBondContact O-N 2.88Å; Q667-T671 PolarHBondContact NE2-OG1 3.1Å; Q667-T671 VanDerWaalsContact O-CB 3.25Å; Q667-T671 WeakPolarHBondContact O-CB 3.48Å; Q667-T671 PolarHBondContact O-N 2.87Å; Q667-T671 PolarHBondContact O-OG1 2.83Å; Q667-P721 HydrophobicContact CB-CB 4.17Å; Q667-P721 WeakPolarHBondContact CB-O 3.5Å; Q667-P721 PolarHBondContact N-O 2.89Å; Q667-D722 HydrophobicContact CB-CB 4.47Å
668	D	97.2	Very high	96.4	Very high	54 Å²	54	38.6 Å²	38.6	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-42	177.7	-60.8	-33.8	0	0	0	110.8	M663 K664 Y665 F666 N672	M663-D668 HydrophobicContact CB-CB 4.08Å; M663-D668 HydrophobicContact CG-CB 3.82Å; M663-D668 HydrophobicContact SD-CB 4.3Å; K664-D668 PolarHBondContact N-OD2 3.02Å; Y665-D668 PolarHBondContact N-OD2 2.92Å; Y665-D668 VanDerWaalsContact O-CB 3.29Å; Y665-D668 WeakPolarHBondContact O-CB 3.38Å; Y665-D668 PolarHBondContact O-N 2.9Å; F666-D668 PolarHBondContact O-N 2.92Å; D668-N672 WeakPolarHBondContact O-CB 3.38Å; D668-N672 PolarHBondContact O-N 3.05Å; D668-N672 PolarHBondContact O-ND2 2.94Å; D668-N672 VanDerWaalsContact O-ND2 3.12Å
669	I	97.7	Very high	96.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-50.1	174.9	-64	-175.1	0	0	0	110.5	F654 Y657 M663 F666 Q667 T671 N672 V673	F654-I669 HydrophobicContact CB-CD1 3.62Å; F654-I669 HydrophobicContact CD2-CD1 3.7Å; F654-I669 HydrophobicContact CD2-CG1 4.3Å; F654-I669 HydrophobicContact CG-CD1 4.14Å; Y657-I669 HydrophobicContact CD2-CD1 4.14Å; M663-I669 HydrophobicContact CE-CG1 3.71Å; M663-I669 HydrophobicContact SD-CD1 3.94Å; M663-I669 HydrophobicContact SD-CG1 3.33Å; M663-I669 WeakPolarHBondContact SD-CG1 3.37Å; F666-I669 HydrophobicContact CD2-CD1 4.25Å; F666-I669 HydrophobicContact CE2-CD1 4.13Å; F666-I669 PolarHBondContact O-N 3.18Å; Q667-I669 VanDerWaalsContact C-N 3.31Å; Q667-I669 PolarHBondContact O-N 3.23Å; I669-T671 VanDerWaalsContact C-N 3.28Å; I669-T671 PolarHBondContact O-N 3.33Å; I669-N672 PolarHBondContact O-N 2.96Å; I669-V673 HydrophobicContact CG2-CG2 4.09Å; I669-V673 WeakPolarHBondContact O-CB 3.25Å; I669-V673 VanDerWaalsContact O-CG2 3.22Å; I669-V673 WeakPolarHBondContact O-CG2 3.42Å; I669-V673 PolarHBondContact O-N 3.38Å
670	I	98.2	Very high	96.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-44.4	-178.8	-68	-60	0	0	0	110.9	F374 G377 F666 Q667 V673 F674 P721	F374-I670 HydrophobicContact CD1-CG2 4.09Å; F374-I670 HydrophobicContact CE1-CG2 3.56Å; F374-I670 HydrophobicContact CZ-CG2 4.1Å; G377-I670 WeakPolarHBondContact O-CG2 3.24Å; F666-I670 HydrophobicContact CD1-CD1 4.41Å; F666-I670 HydrophobicContact CD1-CG1 3.82Å; F666-I670 HydrophobicContact CE1-CD1 3.71Å; F666-I670 HydrophobicContact CE1-CG1 3.63Å; F666-I670 HydrophobicContact CZ-CD1 4.45Å; F666-I670 PolarHBondContact O-N 3.05Å; Q667-I670 PolarHBondContact O-N 2.88Å; I670-V673 PolarHBondContact O-N 3.36Å; I670-F674 HydrophobicContact CD1-CD2 4.42Å; I670-F674 HydrophobicContact CD1-CE2 4.19Å; I670-F674 HydrophobicContact CG2-CD2 4.16Å; I670-F674 WeakPolarHBondContact O-CB 3.47Å; I670-F674 WeakPolarHBondContact O-CD2 3.22Å; I670-F674 PolarHBondContact O-N 3.39Å; I670-P721 HydrophobicContact CG1-CB 4.45Å
671	T	98.1	Very high	96.7	Very high	28 Å²	28	27.7 Å²	27.7	17%	0.172	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-51.6	178.2	-54.3	0	0	0	0	110.4	F374 Q667 I669 V673 F674 Q675	F374-T671 HydrophobicContact CE2-CG2 4.2Å; Q667-T671 PolarHBondContact NE2-OG1 3.1Å; Q667-T671 VanDerWaalsContact O-CB 3.25Å; Q667-T671 WeakPolarHBondContact O-CB 3.48Å; Q667-T671 PolarHBondContact O-N 2.87Å; Q667-T671 PolarHBondContact O-OG1 2.83Å; I669-T671 VanDerWaalsContact C-N 3.28Å; I669-T671 PolarHBondContact O-N 3.33Å; T671-V673 VanDerWaalsContact C-N 3.28Å; T671-V673 PolarHBondContact O-N 3.25Å; T671-F674 PolarHBondContact O-N 3.46Å; T671-Q675 HydrophobicContact CG2-CB 4.19Å; T671-Q675 WeakPolarHBondContact O-CB 3.24Å; T671-Q675 PolarHBondContact O-N 3.35Å
672	N	98.1	Very high	96.9	Very high	23 Å²	23	25.1 Å²	25.1	12%	0.123	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-31.2	-179.7	-68.6	-22.5	0	0	0	113.4	G621 I624 D668 I669	G621-N672 VanDerWaalsContact O-CB 3.25Å; G621-N672 WeakPolarHBondContact O-CB 3.42Å; G621-N672 PolarHBondContact O-ND2 2.92Å; I624-N672 WeakPolarHBondContact CA-OD1 3.11Å; I624-N672 PolarHBondContact N-OD1 2.75Å; I624-N672 VanDerWaalsContact N-OD1 3.13Å; D668-N672 WeakPolarHBondContact O-CB 3.38Å; D668-N672 PolarHBondContact O-N 3.05Å; D668-N672 PolarHBondContact O-ND2 2.94Å; D668-N672 VanDerWaalsContact O-ND2 3.12Å; I669-N672 PolarHBondContact O-N 2.96Å
673	V	98.4	Very high	97.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-79.3	-41.7	178.8	172.9	0	0	0	0	111.8	I619 W627 V650 I669 I670 T671	I619-V673 HydrophobicContact CG2-CG2 4.23Å; W627-V673 PolarHBondContact NE1-O 3.07Å; V650-V673 HydrophobicContact CG1-CG2 4.25Å; V650-V673 HydrophobicContact CG2-CG1 4.15Å; V650-V673 HydrophobicContact CG2-CG2 4.34Å; I669-V673 HydrophobicContact CG2-CG2 4.09Å; I669-V673 WeakPolarHBondContact O-CB 3.25Å; I669-V673 VanDerWaalsContact O-CG2 3.22Å; I669-V673 WeakPolarHBondContact O-CG2 3.42Å; I669-V673 PolarHBondContact O-N 3.38Å; I670-V673 PolarHBondContact O-N 3.36Å; T671-V673 VanDerWaalsContact C-N 3.28Å; T671-V673 PolarHBondContact O-N 3.25Å
674	F	98.6	Very high	97.4	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-107.7	-33.6	-167.5	-70.1	-71.8	0	0	0	114.9	F374 I670 T671 L677 F678 M739 N742 I743	F374-F674 HydrophobicContact CZ-CB 4.13Å; I670-F674 HydrophobicContact CD1-CD2 4.42Å; I670-F674 HydrophobicContact CD1-CE2 4.19Å; I670-F674 HydrophobicContact CG2-CD2 4.16Å; I670-F674 WeakPolarHBondContact O-CB 3.47Å; I670-F674 WeakPolarHBondContact O-CD2 3.22Å; I670-F674 PolarHBondContact O-N 3.39Å; T671-F674 PolarHBondContact O-N 3.46Å; F674-L677 HydrophobicContact CD1-CD1 4.37Å; F674-L677 WeakPolarHBondContact O-CB 3.35Å; F674-L677 PolarHBondContact O-N 2.64Å; F674-L677 VanDerWaalsContact O-N 3.09Å; F674-F678 HydrophobicContact CB-CD2 4.21Å; F674-F678 HydrophobicContact CB-CE2 4.06Å; F674-F678 VanDerWaalsContact O-CD2 3.24Å; F674-F678 WeakPolarHBondContact O-CD2 3.44Å; F674-F678 PolarHBondContact O-N 3.37Å; F674-F678 VanDerWaalsContact O-N 3.15Å; F674-M739 HydrophobicContact CE2-CG 4.43Å; F674-M739 HydrophobicContact CZ-CB 4.29Å; F674-M739 HydrophobicContact CZ-CG 4.34Å; F674-N742 HydrophobicContact CB-CB 4.28Å; F674-N742 HydrophobicContact CD1-CB 3.59Å; F674-N742 HydrophobicContact CD2-CB 3.58Å; F674-N742 HydrophobicContact CE1-CB 3.72Å; F674-N742 HydrophobicContact CE2-CB 3.69Å; F674-N742 HydrophobicContact CG-CB 3.53Å; F674-N742 HydrophobicContact CZ-CB 3.77Å; F674-I743 HydrophobicContact CE1-CG1 3.78Å; F674-I743 HydrophobicContact CZ-CG1 4.12Å
675	Q	98.2	Very high	97.4	Very high	59 Å²	59	23.2 Å²	23.2	28%	0.276	11%	0.112	S	C	.	.	H	α-helix	trans	-56.7	-47.6	-175.3	-175.4	174.7	-33.3	0	0	113.1	F374 I624 T671 L677 F678 E679	F374-Q675 HydrophobicContact CE2-CB 4.08Å; I624-Q675 HydrophobicContact CD1-CB 4.1Å; T671-Q675 HydrophobicContact CG2-CB 4.19Å; T671-Q675 WeakPolarHBondContact O-CB 3.24Å; T671-Q675 PolarHBondContact O-N 3.35Å; Q675-L677 PolarHBondContact O-N 3.03Å; Q675-L677 VanDerWaalsContact O-N 3.15Å; Q675-F678 PolarHBondContact O-N 3Å; Q675-F678 VanDerWaalsContact O-N 3.08Å; Q675-E679 HydrophobicContact CG-CG 4.22Å; Q675-E679 WeakPolarHBondContact CG-OE1 3.41Å; Q675-E679 PolarHBondContact NE2-OE1 2.8Å; Q675-E679 WeakPolarHBondContact O-CG 3.22Å; Q675-E679 PolarHBondContact O-N 2.82Å
676	P	98.4	Very high	97.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-29.4	179.8	-24.9	37	0	0	0	113	I624 W627 A680 L690	I624-P676 HydrophobicContact CD1-CG 3.6Å; I624-P676 HydrophobicContact CG1-CG 4.1Å; I624-P676 WeakPolarHBondContact O-CG 3.2Å; W627-P676 HydrophobicContact CB-CB 4.11Å; W627-P676 HydrophobicContact CG-CB 4.31Å; P676-A680 WeakPolarHBondContact O-CB 3.3Å; P676-A680 PolarHBondContact O-N 3.01Å; P676-L690 HydrophobicContact CB-CD2 4.08Å
677	L	98.4	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-73	-39.1	177.9	-57.6	177.2	0	0	0	112.1	W627 F674 Q675 T681 L690 L694 F700 L746	W627-L677 HydrophobicContact CD2-CD2 3.85Å; W627-L677 HydrophobicContact CD2-CG 4.46Å; W627-L677 HydrophobicContact CE3-CD2 4Å; W627-L677 HydrophobicContact CG-CD2 4.48Å; W627-L677 HydrophobicContact CH2-CD1 4.19Å; W627-L677 HydrophobicContact CH2-CD2 3.77Å; W627-L677 HydrophobicContact CH2-CG 4.47Å; W627-L677 HydrophobicContact CZ2-CD1 3.65Å; W627-L677 HydrophobicContact CZ2-CD2 3.72Å; W627-L677 HydrophobicContact CZ2-CG 3.98Å; W627-L677 HydrophobicContact CZ3-CD2 3.95Å; F674-L677 HydrophobicContact CD1-CD1 4.37Å; F674-L677 WeakPolarHBondContact O-CB 3.35Å; F674-L677 PolarHBondContact O-N 2.64Å; F674-L677 VanDerWaalsContact O-N 3.09Å; Q675-L677 PolarHBondContact O-N 3.03Å; Q675-L677 VanDerWaalsContact O-N 3.15Å; L677-T681 VanDerWaalsContact O-CB 3.23Å; L677-T681 WeakPolarHBondContact O-CB 3.26Å; L677-T681 PolarHBondContact O-N 2.89Å; L677-T681 PolarHBondContact O-OG1 2.8Å; L677-L690 HydrophobicContact CD2-CD1 4.45Å; L677-L690 HydrophobicContact CD2-CD2 4.41Å; L677-L694 HydrophobicContact CD2-CD1 3.89Å; L677-L694 HydrophobicContact CD2-CD2 3.8Å; L677-L694 HydrophobicContact CD2-CG 4.42Å; L677-F700 HydrophobicContact CD1-CE1 4.15Å; L677-F700 HydrophobicContact CD1-CZ 3.56Å; L677-L746 HydrophobicContact CB-CD1 4.17Å; L677-L746 HydrophobicContact CB-CD2 3.76Å; L677-L746 HydrophobicContact CD1-CD2 3.74Å; L677-L746 HydrophobicContact CG-CD2 4.42Å
678	F	98	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-44.8	173.5	-78.6	-76.3	0	0	0	110.6	M372 M379 I381 F674 Q675 T681 V682 Q745 L746 L749	M372-F678 HydrophobicContact SD-CB 3.74Å; M379-F678 HydrophobicContact CB-CD2 4.01Å; M379-F678 HydrophobicContact CB-CE1 4.15Å; M379-F678 HydrophobicContact CB-CE2 3.48Å; M379-F678 VanDerWaalsContact CB-CE2 3.48Å; M379-F678 HydrophobicContact CB-CZ 3.56Å; M379-F678 HydrophobicContact CE-CB 4.14Å; M379-F678 HydrophobicContact CE-CD2 3.71Å; M379-F678 HydrophobicContact CE-CE2 4.37Å; M379-F678 HydrophobicContact CE-CG 4.03Å; M379-F678 HydrophobicContact CG-CD1 3.89Å; M379-F678 HydrophobicContact CG-CD2 3.77Å; M379-F678 HydrophobicContact CG-CE1 3.82Å; M379-F678 HydrophobicContact CG-CE2 3.71Å; M379-F678 HydrophobicContact CG-CG 3.87Å; M379-F678 HydrophobicContact CG-CZ 3.73Å; I381-F678 HydrophobicContact CD1-CD1 4.02Å; I381-F678 HydrophobicContact CD1-CE1 3.86Å; F674-F678 HydrophobicContact CB-CD2 4.21Å; F674-F678 HydrophobicContact CB-CE2 4.06Å; F674-F678 VanDerWaalsContact O-CD2 3.24Å; F674-F678 WeakPolarHBondContact O-CD2 3.44Å; F674-F678 PolarHBondContact O-N 3.37Å; F674-F678 VanDerWaalsContact O-N 3.15Å; Q675-F678 PolarHBondContact O-N 3Å; Q675-F678 VanDerWaalsContact O-N 3.08Å; F678-T681 CarbonylContact O-C 3.23Å; F678-T681 WeakPolarHBondContact O-CA 3.25Å; F678-T681 WeakPolarHBondContact O-CB 3.34Å; F678-T681 PolarHBondContact O-N 2.87Å; F678-T681 VanDerWaalsContact O-N 3.08Å; F678-V682 WeakPolarHBondContact O-CB 3.34Å; F678-V682 WeakPolarHBondContact O-CG2 2.86Å; F678-V682 PolarHBondContact O-N 2.82Å; F678-Q745 HydrophobicContact CE1-CB 4.22Å; F678-Q745 HydrophobicContact CZ-CB 3.87Å; F678-L746 HydrophobicContact CD1-CD1 3.92Å; F678-L746 HydrophobicContact CD2-CD1 4.49Å; F678-L746 HydrophobicContact CE1-CB 3.92Å; F678-L746 HydrophobicContact CE1-CD1 4.01Å; F678-L746 HydrophobicContact CE2-CB 4.25Å; F678-L746 HydrophobicContact CG-CD1 4.16Å; F678-L746 HydrophobicContact CZ-CB 3.67Å; F678-L746 HydrophobicContact CZ-CD1 4.33Å; F678-L749 HydrophobicContact CD1-CD2 3.98Å
679	E	97.7	Very high	97.2	Very high	49 Å²	49	25.5 Å²	25.5	23%	0.229	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-49.9	175.5	-70.1	168.9	165.6	0	0	111.8	M372 Q675 T681 V682 N683 H687	M372-E679 HydrophobicContact CE-CG 3.9Å; Q675-E679 HydrophobicContact CG-CG 4.22Å; Q675-E679 WeakPolarHBondContact CG-OE1 3.41Å; Q675-E679 PolarHBondContact NE2-OE1 2.8Å; Q675-E679 WeakPolarHBondContact O-CG 3.22Å; Q675-E679 PolarHBondContact O-N 2.82Å; E679-T681 PolarHBondContact O-N 2.83Å; E679-V682 PolarHBondContact O-N 2.81Å; E679-N683 CarbonylContact O-C 3.53Å; E679-N683 PolarHBondContact O-N 3.41Å; E679-H687 WeakPolarHBondContact CB-NE2 3.41Å; E679-H687 IonicContact OE2-CE1 3.96Å; E679-H687 IonicContact OE2-NE2 3.8Å; E679-H687 PolarHBondContact OE2-NE2 2.87Å
680	A	97.2	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-25.9	175.2	0	0	0	0	0	113.4	P676 P684 H687 L690	P676-A680 WeakPolarHBondContact O-CB 3.3Å; P676-A680 PolarHBondContact O-N 3.01Å; A680-P684 VanDerWaalsContact O-CA 3.29Å; A680-P684 WeakPolarHBondContact O-CA 3.32Å; A680-H687 HydrophobicContact CB-CB 3.9Å; A680-L690 HydrophobicContact CB-CD2 3.91Å; A680-L690 HydrophobicContact CB-CG 4.16Å
681	T	96.8	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-81.1	-37.7	176	-61.5	0	0	0	0	111.6	L677 F678 E679 L749 R750 R753 L755	L677-T681 VanDerWaalsContact O-CB 3.23Å; L677-T681 WeakPolarHBondContact O-CB 3.26Å; L677-T681 PolarHBondContact O-N 2.89Å; L677-T681 PolarHBondContact O-OG1 2.8Å; F678-T681 CarbonylContact O-C 3.23Å; F678-T681 WeakPolarHBondContact O-CA 3.25Å; F678-T681 WeakPolarHBondContact O-CB 3.34Å; F678-T681 PolarHBondContact O-N 2.87Å; F678-T681 VanDerWaalsContact O-N 3.08Å; E679-T681 PolarHBondContact O-N 2.83Å; T681-L749 HydrophobicContact CG2-CB 4.48Å; T681-L749 HydrophobicContact CG2-CD2 3.5Å; T681-L749 HydrophobicContact CG2-CG 3.63Å; T681-R750 HydrophobicContact CG2-CB 4.44Å; T681-R750 HydrophobicContact CG2-CG 3.44Å; T681-R750 VanDerWaalsContact CG2-CG 3.44Å; T681-R750 PolarHBondContact OG1-NH1 3.28Å; T681-R753 WeakPolarHBondContact O-CD 3.35Å; T681-R753 PolarHBondContact O-NH1 3.09Å; T681-L755 HydrophobicContact CG2-CD1 4.13Å
682	V	96	Very high	97.1	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	13%	0.126	C	C	.	.	H	α-helix	trans	-77.3	-44.1	179.1	164	0	0	0	0	111.4	P367 L368 V370 M372 F678 E679 L749 R753	P367-V682 WeakPolarHBondContact CA-O 3.18Å; L368-V682 HydrophobicContact CB-CG1 4.24Å; L368-V682 PolarHBondContact N-O 3.36Å; L368-V682 VanDerWaalsContact N-O 3.07Å; L368-V682 WeakPolarHBondContact O-CG1 3.33Å; V370-V682 HydrophobicContact CG2-CB 4.31Å; V370-V682 HydrophobicContact CG2-CG1 3.66Å; V370-V682 HydrophobicContact CG2-CG2 3.6Å; M372-V682 HydrophobicContact CE-CB 4.43Å; M372-V682 HydrophobicContact CE-CG2 4.34Å; M372-V682 HydrophobicContact CG-CG2 4.45Å; M372-V682 HydrophobicContact SD-CB 4.2Å; M372-V682 HydrophobicContact SD-CG2 3.5Å; M372-V682 WeakPolarHBondContact SD-CG2 3.46Å; F678-V682 WeakPolarHBondContact O-CB 3.34Å; F678-V682 WeakPolarHBondContact O-CG2 2.86Å; F678-V682 PolarHBondContact O-N 2.82Å; E679-V682 PolarHBondContact O-N 2.81Å; V682-L749 HydrophobicContact CG2-CD2 3.87Å; V682-R753 VanDerWaalsContact C-NH1 3.32Å; V682-R753 PolarHBondContact O-NH1 3.27Å
683	N	95.9	Very high	97	Very high	52 Å²	52	23.2 Å²	23.2	28%	0.278	12%	0.12	S	C	.	.			trans	-132.8	87.2	177.6	-179.3	6.1	0	0	0	109.9	P367 E679 K685 S686	P367-N683 HydrophobicContact CB-CB 4.24Å; E679-N683 CarbonylContact O-C 3.53Å; E679-N683 PolarHBondContact O-N 3.41Å; N683-K685 PolarHBondContact O-N 3.12Å; N683-K685 WeakPolarHBondContact OD1-CB 3.26Å; N683-K685 PolarHBondContact OD1-N 2.92Å; N683-S686 WeakPolarHBondContact O-CB 2.98Å; N683-S686 PolarHBondContact O-N 3.37Å; N683-S686 PolarHBondContact O-OG 3.31Å
684	P	95.1	Very high	96.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-51.7	-30.3	177.5	-32	38.7	0	0	0	115	W364 P365 A680 S686 H687 H691	W364-P684 HydrophobicContact CE3-CB 3.84Å; W364-P684 HydrophobicContact CZ3-CB 4.03Å; P365-P684 HydrophobicContact CB-CG 4.21Å; P365-P684 HydrophobicContact CG-CG 4.15Å; A680-P684 VanDerWaalsContact O-CA 3.29Å; A680-P684 WeakPolarHBondContact O-CA 3.32Å; P684-S686 PolarHBondContact O-N 2.9Å; P684-H687 CarbonylContact O-C 3.53Å; P684-H687 PolarHBondContact O-N 2.95Å; P684-H691 HydrophobicContact CB-CB 4.28Å
685	K	94.4	Very high	96.7	Very high	110 Å²	110	25.7 Å²	25.7	48%	0.478	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-70.7	-17	179	-62.5	171.8	-176.9	160.9	0	112.8	E366 N683	E366-K685 IonicContact OE1-NZ 2.68Å; E366-K685 PolarHBondContact OE1-NZ 3.4Å; E366-K685 IonicContact OE2-NZ 3.56Å; E366-K685 PolarHBondContact OE2-NZ 3.47Å; N683-K685 PolarHBondContact O-N 3.12Å; N683-K685 WeakPolarHBondContact OD1-CB 3.26Å; N683-K685 PolarHBondContact OD1-N 2.92Å
686	S	96.2	Very high	96.6	Very high	55 Å²	55	23.4 Å²	23.4	39%	0.385	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-75.3	-31.3	176.1	63.9	0	0	0	0	113.1	N683 P684	N683-S686 WeakPolarHBondContact O-CB 2.98Å; N683-S686 PolarHBondContact O-N 3.37Å; N683-S686 PolarHBondContact O-OG 3.31Å; P684-S686 PolarHBondContact O-N 2.9Å
687	H	97.3	Very high	96.6	Very high	22 Å²	22	23.4 Å²	23.4	10%	0.102	12%	0.121	C	C	.	.	S	Bend	trans	-133.6	71.1	175.5	-56.5	-97.1	0	0	0	110.1	D628 E679 A680 P684 E689 L690 H691	D628-H687 VanDerWaalsContact CG-ND1 3.29Å; D628-H687 IonicContact OD1-CE1 3.8Å; D628-H687 IonicContact OD1-CG 3.75Å; D628-H687 IonicContact OD1-ND1 3.55Å; D628-H687 PolarHBondContact OD1-ND1 3.38Å; D628-H687 IonicContact OD2-CE1 2.98Å; D628-H687 PolarHBondContact OD2-CE1 2.86Å; D628-H687 IonicContact OD2-ND1 3.29Å; D628-H687 PolarHBondContact OD2-ND1 3.06Å; E679-H687 WeakPolarHBondContact CB-NE2 3.41Å; E679-H687 IonicContact OE2-CE1 3.96Å; E679-H687 IonicContact OE2-NE2 3.8Å; E679-H687 PolarHBondContact OE2-NE2 2.87Å; A680-H687 HydrophobicContact CB-CB 3.9Å; P684-H687 CarbonylContact O-C 3.53Å; P684-H687 PolarHBondContact O-N 2.95Å; H687-E689 PolarHBondContact O-N 2.83Å; H687-L690 HydrophobicContact CB-CB 3.68Å; H687-L690 HydrophobicContact CB-CD2 4.11Å; H687-L690 HydrophobicContact CB-CG 4.45Å; H687-L690 PolarHBondContact O-N 2.88Å; H687-H691 PolarHBondContact O-N 3.02Å
688	P	96.4	Very high	96.5	Very high	50 Å²	50	23.7 Å²	23.7	33%	0.325	12%	0.123	S	C	.	.	H	α-helix	trans	-64.9	-40.7	-170.5	22.6	-28.7	0	0	0	112.6	W364 H691 A692	W364-P688 HydrophobicContact CH2-CB 3.7Å; W364-P688 HydrophobicContact CZ3-CB 4.1Å; P688-H691 PolarHBondContact O-N 3.45Å; P688-A692 PolarHBondContact O-N 2.68Å; P688-A692 VanDerWaalsContact O-N 3.14Å
689	E	96.7	Very high	96.5	Very high	63 Å²	63	23.7 Å²	23.7	29%	0.294	12%	0.123	S	C	.	.	H	α-helix	trans	-63.7	-42.7	175.5	-65	90.3	160.8	0	0	111.5	A631 I635 H687 A692 F693	A631-E689 HydrophobicContact CB-CB 4.05Å; I635-E689 HydrophobicContact CD1-CB 3.59Å; I635-E689 HydrophobicContact CD1-CG 3.85Å; H687-E689 PolarHBondContact O-N 2.83Å; E689-A692 PolarHBondContact O-N 2.92Å; E689-F693 WeakPolarHBondContact O-CB 3.03Å; E689-F693 PolarHBondContact O-N 3.42Å
690	L	97.7	Very high	96.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-44.3	178.4	-176.5	54.9	0	0	0	111	W627 A631 P676 L677 A680 H687 A692 F693 L694	W627-L690 HydrophobicContact CB-CD1 4.06Å; W627-L690 HydrophobicContact CB-CD2 3.9Å; W627-L690 HydrophobicContact CD2-CD1 4.2Å; W627-L690 HydrophobicContact CE3-CD1 3.54Å; W627-L690 HydrophobicContact CG-CD1 4.46Å; W627-L690 HydrophobicContact CG-CD2 4.49Å; W627-L690 HydrophobicContact CZ3-CD1 4.25Å; A631-L690 HydrophobicContact CB-CB 4.18Å; A631-L690 HydrophobicContact CB-CD1 4.24Å; P676-L690 HydrophobicContact CB-CD2 4.08Å; L677-L690 HydrophobicContact CD2-CD1 4.45Å; L677-L690 HydrophobicContact CD2-CD2 4.41Å; A680-L690 HydrophobicContact CB-CD2 3.91Å; A680-L690 HydrophobicContact CB-CG 4.16Å; H687-L690 HydrophobicContact CB-CB 3.68Å; H687-L690 HydrophobicContact CB-CD2 4.11Å; H687-L690 HydrophobicContact CB-CG 4.45Å; H687-L690 PolarHBondContact O-N 2.88Å; L690-A692 VanDerWaalsContact C-N 3.28Å; L690-A692 PolarHBondContact O-N 2.94Å; L690-F693 HydrophobicContact CD1-CD1 4.48Å; L690-F693 PolarHBondContact O-N 3.14Å; L690-L694 HydrophobicContact CD1-CD1 4.22Å; L690-L694 HydrophobicContact CD1-CD2 4.18Å; L690-L694 HydrophobicContact CD1-CG 3.93Å; L690-L694 HydrophobicContact CG-CD1 4.02Å; L690-L694 HydrophobicContact CG-CG 4.2Å; L690-L694 WeakPolarHBondContact O-CB 3.4Å; L690-L694 WeakPolarHBondContact O-CG 3.42Å; L690-L694 PolarHBondContact O-N 3.48Å
691	H	97	Very high	96.6	Very high	8 Å²	8	21.4 Å²	21.4	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-56.5	-43.6	176.4	-175.1	74.3	0	0	0	111.8	W364 P684 H687 P688	W364-H691 HydrophobicContact CZ3-CB 4.14Å; W364-H691 AromaticContact CZ3-CD2 3.77Å; P684-H691 HydrophobicContact CB-CB 4.28Å; H687-H691 PolarHBondContact O-N 3.02Å; P688-H691 PolarHBondContact O-N 3.45Å
692	A	95.8	Very high	96.7	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-44	176.7	0	0	0	0	0	112.8	F359 I361 I635 P688 E689 L690 L694 Q695	F359-A692 HydrophobicContact CB-CB 4.3Å; F359-A692 WeakPolarHBondContact O-CB 3.24Å; I361-A692 HydrophobicContact CD1-CB 3.7Å; I361-A692 HydrophobicContact CG1-CB 3.92Å; I635-A692 HydrophobicContact CD1-CB 4.15Å; P688-A692 PolarHBondContact O-N 2.68Å; P688-A692 VanDerWaalsContact O-N 3.14Å; E689-A692 PolarHBondContact O-N 2.92Å; L690-A692 VanDerWaalsContact C-N 3.28Å; L690-A692 PolarHBondContact O-N 2.94Å; A692-L694 PolarHBondContact O-N 3.3Å; A692-Q695 WeakPolarHBondContact O-CB 3.42Å; A692-Q695 PolarHBondContact O-N 2.83Å
693	F	97.1	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-39.9	178.2	178.2	-118	0	0	0	112.5	L617 W627 L630 A631 A634 W646 I648 E689 L690 Q695 Y696 V697	L617-F693 HydrophobicContact CD1-CE2 4.47Å; L617-F693 HydrophobicContact CD1-CZ 3.88Å; W627-F693 HydrophobicContact CZ3-CE1 4.46Å; L630-F693 HydrophobicContact CD2-CE1 4.02Å; L630-F693 HydrophobicContact CD2-CZ 4.31Å; L630-F693 HydrophobicContact CG-CE1 4.23Å; L630-F693 HydrophobicContact CG-CZ 4.39Å; A631-F693 HydrophobicContact CB-CB 3.83Å; A631-F693 HydrophobicContact CB-CD1 4.25Å; A631-F693 HydrophobicContact CB-CG 4.23Å; A634-F693 HydrophobicContact CB-CD2 3.65Å; A634-F693 HydrophobicContact CB-CE2 3.79Å; W646-F693 AromaticContact CD1-CE2 3.72Å; W646-F693 HydrophobicContact CG-CE2 4.27Å; W646-F693 HydrophobicContact CG-CZ 4.32Å; W646-F693 AromaticContact NE1-CE2 3.99Å; I648-F693 HydrophobicContact CD1-CE1 4.42Å; E689-F693 WeakPolarHBondContact O-CB 3.03Å; E689-F693 PolarHBondContact O-N 3.42Å; L690-F693 HydrophobicContact CD1-CD1 4.48Å; L690-F693 PolarHBondContact O-N 3.14Å; F693-Q695 PolarHBondContact O-N 2.89Å; F693-Q695 VanDerWaalsContact O-N 3.09Å; F693-Y696 PolarHBondContact O-N 3.21Å; F693-V697 HydrophobicContact CD1-CG2 3.94Å; F693-V697 HydrophobicContact CE1-CG2 3.53Å; F693-V697 HydrophobicContact CE2-CG2 4.45Å; F693-V697 HydrophobicContact CZ-CG2 3.81Å
694	L	97	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.9	-178.4	-72.7	177.2	0	0	0	114	W627 L677 L690 A692 Y696 V697 N756 F758	W627-L694 HydrophobicContact CH2-CD2 4.44Å; W627-L694 HydrophobicContact CZ3-CD2 3.98Å; L677-L694 HydrophobicContact CD2-CD1 3.89Å; L677-L694 HydrophobicContact CD2-CD2 3.8Å; L677-L694 HydrophobicContact CD2-CG 4.42Å; L690-L694 HydrophobicContact CD1-CD1 4.22Å; L690-L694 HydrophobicContact CD1-CD2 4.18Å; L690-L694 HydrophobicContact CD1-CG 3.93Å; L690-L694 HydrophobicContact CG-CD1 4.02Å; L690-L694 HydrophobicContact CG-CG 4.2Å; L690-L694 WeakPolarHBondContact O-CB 3.4Å; L690-L694 WeakPolarHBondContact O-CG 3.42Å; L690-L694 PolarHBondContact O-N 3.48Å; A692-L694 PolarHBondContact O-N 3.3Å; L694-Y696 PolarHBondContact O-N 3.34Å; L694-V697 HydrophobicContact CD2-CB 4.16Å; L694-V697 HydrophobicContact CD2-CG2 4.17Å; L694-V697 PolarHBondContact O-N 3.35Å; L694-N756 PolarHBondContact O-ND2 3.47Å; L694-F758 HydrophobicContact CD1-CZ 4.5Å; L694-F758 HydrophobicContact CD2-CE1 4.21Å; L694-F758 HydrophobicContact CD2-CZ 3.91Å
695	Q	93.4	Very high	96.9	Very high	56 Å²	56	21.6 Å²	21.6	26%	0.262	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.8	171.4	-63.1	-168.9	-15	0	0	113.1	I361 A692 F693	I361-Q695 VanDerWaalsContact CD1-CD 3.49Å; I361-Q695 HydrophobicContact CD1-CG 4.36Å; A692-Q695 WeakPolarHBondContact O-CB 3.42Å; A692-Q695 PolarHBondContact O-N 2.83Å; F693-Q695 PolarHBondContact O-N 2.89Å; F693-Q695 VanDerWaalsContact O-N 3.09Å
696	Y	95.8	Very high	97.1	Very high	10 Å²	10	16.6 Å²	16.6	4%	0.039	9%	0.091	C	C	.	.	S	Bend	trans	-107.3	-6.9	-177.4	-56.9	-66.9	0	0	0	113.5	K354 P358 F359 Y640 W646 F693 L694	K354-Y696 PolarHBondContact NZ-OH 2.92Å; P358-Y696 PolarHBondContact O-OH 2.84Å; F359-Y696 HydrophobicContact CD1-CD2 4.15Å; F359-Y696 AromaticContact CD1-CE2 3.82Å; F359-Y696 HydrophobicContact CD1-CE2 3.82Å; F359-Y696 AromaticContact CE1-CD2 3.82Å; F359-Y696 HydrophobicContact CE1-CD2 3.82Å; F359-Y696 AromaticContact CE1-CE2 3.86Å; F359-Y696 HydrophobicContact CE1-CE2 3.86Å; Y640-Y696 HydrophobicContact CD2-CD1 4.25Å; Y640-Y696 HydrophobicContact CD2-CE1 4.06Å; Y640-Y696 HydrophobicContact CD2-CE2 4.26Å; Y640-Y696 HydrophobicContact CD2-CG 4.49Å; Y640-Y696 AromaticContact CE2-CD1 3.73Å; Y640-Y696 HydrophobicContact CE2-CD1 3.73Å; Y640-Y696 AromaticContact CE2-CE1 3.29Å; Y640-Y696 HydrophobicContact CE2-CE1 3.29Å; Y640-Y696 HydrophobicContact CE2-CE2 4.24Å; Y640-Y696 HydrophobicContact CE2-CG 4.4Å; Y640-Y696 AromaticContact CE2-CZ 3.55Å; W646-Y696 PolarHBondContact N-O 3.04Å; F693-Y696 PolarHBondContact O-N 3.21Å; L694-Y696 PolarHBondContact O-N 3.34Å
697	V	98.1	Very high	97	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.6	174.5	179	0	0	0	0	109.4	W646 I648 F693 L694 N756 F758	W646-V697 HydrophobicContact CB-CG2 4.13Å; W646-V697 CarbonylContact O-C 3.58Å; W646-V697 VanDerWaalsContact O-CA 3.32Å; W646-V697 WeakPolarHBondContact O-CA 3.29Å; I648-V697 HydrophobicContact CD1-CG1 4.48Å; I648-V697 HydrophobicContact CD1-CG2 4.4Å; I648-V697 HydrophobicContact CG1-CG1 3.68Å; I648-V697 HydrophobicContact CG1-CG2 4.4Å; F693-V697 HydrophobicContact CD1-CG2 3.94Å; F693-V697 HydrophobicContact CE1-CG2 3.53Å; F693-V697 HydrophobicContact CE2-CG2 4.45Å; F693-V697 HydrophobicContact CZ-CG2 3.81Å; L694-V697 HydrophobicContact CD2-CB 4.16Å; L694-V697 HydrophobicContact CD2-CG2 4.17Å; L694-V697 PolarHBondContact O-N 3.35Å; V697-N756 PolarHBondContact O-ND2 2.82Å; V697-F758 HydrophobicContact CB-CE1 4.13Å; V697-F758 HydrophobicContact CG1-CD1 4.12Å; V697-F758 HydrophobicContact CG1-CE1 3.93Å; V697-F758 WeakPolarHBondContact O-CE1 3.43Å
698	T	97.6	Very high	96.8	Very high	7 Å²	7	20.4 Å²	20.4	4%	0.043	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-13.2	-172.2	58.6	0	0	0	0	113.7	R645 W646 L647 S759 G882	R645-T698 HydrophobicContact CB-CG2 3.79Å; R645-T698 HydrophobicContact CG-CG2 4.14Å; W646-T698 PolarHBondContact O-N 2.84Å; W646-T698 PolarHBondContact O-OG1 2.84Å; L647-T698 WeakPolarHBondContact CD1-OG1 3.47Å; T698-S759 PolarHBondContact O-N 2.75Å; T698-S759 PolarHBondContact O-OG 3.08Å; T698-G882 WeakPolarHBondContact CG2-O 3.29Å
699	G	98.1	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-179.9	-178.7	0	0	0	0	0	115.8	L647 I648 S759	L647-G699 WeakPolarHBondContact CA-O 3.48Å; I648-G699 PolarHBondContact N-O 2.91Å; G699-S759 CarbonylContact C-O 3.47Å; G699-S759 WeakPolarHBondContact CA-O 3.45Å
700	F	98.8	Very high	96.2	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	152	178.3	-68	-93.3	0	0	0	111.7	W627 I648 L677 M739 I743 F758 S759 F760 R761	W627-F700 HydrophobicContact CH2-CE1 4.22Å; W627-F700 HydrophobicContact CH2-CZ 4.37Å; W627-F700 AromaticContact CZ2-CE1 3.93Å; W627-F700 HydrophobicContact CZ2-CE1 3.93Å; W627-F700 HydrophobicContact CZ2-CZ 4.3Å; I648-F700 HydrophobicContact CB-CD1 4.23Å; I648-F700 HydrophobicContact CB-CE1 4.38Å; I648-F700 HydrophobicContact CG2-CD1 4.44Å; I648-F700 HydrophobicContact CG2-CE1 4.44Å; I648-F700 CarbonylContact O-C 3.59Å; I648-F700 VanDerWaalsContact O-CA 3.26Å; I648-F700 WeakPolarHBondContact O-CA 3.46Å; L677-F700 HydrophobicContact CD1-CE1 4.15Å; L677-F700 HydrophobicContact CD1-CZ 3.56Å; F700-M739 HydrophobicContact CB-CE 4.23Å; F700-I743 HydrophobicContact CB-CD1 3.74Å; F700-I743 HydrophobicContact CD2-CD1 3.64Å; F700-I743 HydrophobicContact CD2-CG1 3.75Å; F700-I743 HydrophobicContact CE2-CD1 4.45Å; F700-I743 HydrophobicContact CE2-CG1 4.07Å; F700-I743 HydrophobicContact CG-CD1 3.77Å; F700-I743 HydrophobicContact CG-CG1 4.24Å; F700-F758 HydrophobicContact CD2-CB 3.87Å; F700-F758 HydrophobicContact CD2-CG 4.35Å; F700-F758 HydrophobicContact CE2-CB 3.7Å; F700-F758 HydrophobicContact CE2-CD1 4.34Å; F700-F758 AromaticContact CE2-CD2 3.87Å; F700-F758 HydrophobicContact CE2-CD2 3.87Å; F700-F758 AromaticContact CE2-CG 3.71Å; F700-F758 HydrophobicContact CE2-CG 3.71Å; F700-S759 PolarHBondContact N-O 3.09Å; F700-F760 HydrophobicContact CB-CD2 4.02Å; F700-F760 HydrophobicContact CB-CE2 4.47Å; F700-R761 PolarHBondContact O-N 3.15Å
701	D	98.8	Very high	95.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.5	176.9	-160.9	-21	0	0	0	109.5	R616 I648 Q649 V650 R761 P762 H763 N784	R616-D701 IonicContact CZ-OD2 3.88Å; R616-D701 IonicContact NE-OD2 2.6Å; R616-D701 PolarHBondContact NE-OD2 3.2Å; R616-D701 IonicContact NH2-OD2 2.63Å; I648-D701 PolarHBondContact O-N 3.39Å; Q649-D701 WeakPolarHBondContact CA-O 3.22Å; Q649-D701 HydrophobicContact CB-CB 3.99Å; V650-D701 PolarHBondContact N-O 3.31Å; D701-R761 VanDerWaalsContact CG-O 3.26Å; D701-P762 VanDerWaalsContact OD1-CA 3.24Å; D701-P762 WeakPolarHBondContact OD1-CA 3.27Å; D701-H763 IonicContact OD1-CE1 3.49Å; D701-H763 IonicContact OD1-CG 3.37Å; D701-H763 PolarHBondContact OD1-N 3.4Å; D701-H763 IonicContact OD1-ND1 3.47Å; D701-H763 PolarHBondContact OD1-ND1 3.23Å; D701-H763 IonicContact OD2-CE1 3.98Å; D701-H763 PolarHBondContact OD2-CE1 3.32Å; D701-H763 VanDerWaalsContact OD2-CE1 3.31Å; D701-H763 IonicContact OD2-ND1 3.14Å; D701-H763 PolarHBondContact OD2-ND1 2.75Å; D701-N784 PolarHBondContact OD2-ND2 3.07Å; D701-N784 VanDerWaalsContact OD2-ND2 3.09Å
702	S	98.6	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	122.4	174.5	-176.2	0	0	0	0	109.5	R652 H763	R652-S702 WeakPolarHBondContact CD-OG 3.43Å; R652-S702 WeakPolarHBondContact CG-OG 3.39Å; R652-S702 PolarHBondContact NH1-O 2.92Å; R652-S702 PolarHBondContact NH1-OG 3.47Å; S702-H763 PolarHBondContact O-N 3.05Å
703	V	97.9	Very high	95.4	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.115	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.8	-171.4	-59	0	0	0	0	111.3	Q649 V650 P651 R652	Q649-V703 HydrophobicContact CB-CG1 4.06Å; Q649-V703 HydrophobicContact CB-CG2 4.1Å; Q649-V703 HydrophobicContact CG-CG2 4.12Å; V650-V703 PolarHBondContact O-N 2.93Å; P651-V703 CarbonylContact C-O 3.46Å; P651-V703 VanDerWaalsContact CA-O 3.22Å; P651-V703 WeakPolarHBondContact CA-O 3.37Å; P651-V703 HydrophobicContact CB-CG2 4.15Å; P651-V703 HydrophobicContact CG-CG2 3.91Å; R652-V703 PolarHBondContact N-O 2.86Å
704	D	97	Very high	95.4	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.139	20%	0.198	C	C	.	.	S	Bend	trans	-178.9	172.7	166	-176.8	27.1	0	0	0	106.2	R652 E706 K708	R652-D704 HydrophobicContact CB-CB 3.87Å; R652-D704 HydrophobicContact CG-CB 4.4Å; R652-D704 PolarHBondContact NH2-O 3.13Å; R652-D704 VanDerWaalsContact NH2-O 3.15Å; D704-E706 PolarHBondContact O-N 3.23Å; D704-K708 VanDerWaalsContact CG-NZ 3.34Å; D704-K708 IonicContact OD1-NZ 3.82Å; D704-K708 PolarHBondContact OD1-NZ 2.8Å; D704-K708 IonicContact OD2-NZ 2.92Å; D704-K708 PolarHBondContact OD2-NZ 3.09Å
705	D	96.2	Very high	95.2	Very high	22 Å²	22	39.4 Å²	39.4	12%	0.118	21%	0.213	C	C	.	.			trans	-57.4	96.8	168.8	-175.7	-2.7	0	0	0	111.2	F563 S707 K708	F563-D705 HydrophobicContact CB-CB 4.14Å; F563-D705 HydrophobicContact CD1-CB 3.45Å; F563-D705 VanDerWaalsContact CD1-CB 3.45Å; F563-D705 HydrophobicContact CE1-CB 4Å; F563-D705 HydrophobicContact CG-CB 3.86Å; D705-S707 PolarHBondContact O-N 3.01Å; D705-S707 VanDerWaalsContact OD1-CB 3.27Å; D705-S707 WeakPolarHBondContact OD1-CB 3.49Å; D705-S707 PolarHBondContact OD1-N 2.66Å; D705-S707 PolarHBondContact OD1-OG 3.42Å; D705-K708 HydrophobicContact CB-CD 4.12Å; D705-K708 HydrophobicContact CB-CG 4.12Å; D705-K708 PolarHBondContact O-N 2.76Å
706	E	97.1	Very high	95.1	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.023	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.8	-179.4	-157.1	-177.5	-166.6	0	0	112.2	D704 K708 S764 G765 E766 A767 G768 H772	D704-E706 PolarHBondContact O-N 3.23Å; E706-K708 VanDerWaalsContact C-N 3.27Å; E706-K708 PolarHBondContact O-N 2.96Å; E706-S764 WeakPolarHBondContact OE1-CA 3.19Å; E706-G765 VanDerWaalsContact CD-N 3.33Å; E706-G765 PolarHBondContact OE1-N 3.21Å; E706-G765 PolarHBondContact OE2-N 3.2Å; E706-E766 WeakPolarHBondContact OE2-CB 3.4Å; E706-E766 PolarHBondContact OE2-N 3.38Å; E706-A767 WeakPolarHBondContact CG-O 3.44Å; E706-A767 PolarHBondContact OE2-N 3.21Å; E706-G768 WeakPolarHBondContact O-CA 3.46Å; E706-G768 PolarHBondContact O-N 3.43Å; E706-H772 VanDerWaalsContact CG-ND1 3.31Å; E706-H772 WeakPolarHBondContact CG-ND1 3.44Å; E706-H772 IonicContact OE1-CE1 2.85Å; E706-H772 IonicContact OE1-CG 3.62Å; E706-H772 IonicContact OE1-ND1 3.7Å; E706-H772 PolarHBondContact OE1-ND1 3.35Å
707	S	95.3	Very high	95	Very high	61 Å²	61	44.7 Å²	44.7	43%	0.427	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.6	178.3	79.8	0	0	0	0	113.7	D705	D705-S707 PolarHBondContact O-N 3.01Å; D705-S707 VanDerWaalsContact OD1-CB 3.27Å; D705-S707 WeakPolarHBondContact OD1-CB 3.49Å; D705-S707 PolarHBondContact OD1-N 2.66Å; D705-S707 PolarHBondContact OD1-OG 3.42Å
708	K	93.1	Very high	94.9	Very high	97 Å²	97	45.2 Å²	45.2	42%	0.422	27%	0.265	S	S	.	.	S	Bend	trans	-62.6	135.6	174.2	-67	173.5	-174.4	159.2	0	110.4	D704 D705 E706	D704-K708 VanDerWaalsContact CG-NZ 3.34Å; D704-K708 IonicContact OD1-NZ 3.82Å; D704-K708 PolarHBondContact OD1-NZ 2.8Å; D704-K708 IonicContact OD2-NZ 2.92Å; D704-K708 PolarHBondContact OD2-NZ 3.09Å; D705-K708 HydrophobicContact CB-CD 4.12Å; D705-K708 HydrophobicContact CB-CG 4.12Å; D705-K708 PolarHBondContact O-N 2.76Å; E706-K708 VanDerWaalsContact C-N 3.27Å; E706-K708 PolarHBondContact O-N 2.96Å
709	S	89.6	Confident	94.9	Very high	103 Å²	103	46.7 Å²	46.7	72%	0.72	28%	0.275	S	S	*	.			trans	-75.1	128.9	175	58.6	0	0	0	0	111.2	K711	S709-K711 PolarHBondContact O-N 3.49Å; S709-K711 VanDerWaalsContact O-N 3.17Å
710	D	90	Very high	94.8	Very high	64 Å²	64	47.7 Å²	47.7	34%	0.342	28%	0.281	S	S	.	.			trans	-60.4	113.3	166.7	-72.7	-25	0	0	0	110.1	P731 Y732 H772	D710-P731 HydrophobicContact CB-CB 3.88Å; D710-P731 VanDerWaalsContact CG-CB 3.45Å; D710-P731 VanDerWaalsContact OD1-CA 3.31Å; D710-P731 WeakPolarHBondContact OD1-CA 3.46Å; D710-Y732 PolarHBondContact OD1-N 3.17Å; D710-H772 IonicContact OD2-NE2 2.73Å; D710-H772 PolarHBondContact OD2-NE2 2.71Å
711	K	90.6	Very high	94.8	Very high	142 Å²	142	47.7 Å²	47.7	62%	0.617	28%	0.281	S	S	*	.	S	Bend	trans	-80.6	-26.1	177.6	-68	173.2	180	174.6	0	113	S709 E728	S709-K711 PolarHBondContact O-N 3.49Å; S709-K711 VanDerWaalsContact O-N 3.17Å; K711-E728 HydrophobicContact CD-CG 4.28Å; K711-E728 WeakPolarHBondContact CD-OE1 3.4Å; K711-E728 WeakPolarHBondContact CD-OE2 3.36Å; K711-E728 WeakPolarHBondContact CE-OE2 3.28Å; K711-E728 IonicContact NZ-OE1 3.93Å; K711-E728 PolarHBondContact NZ-OE1 3Å; K711-E728 IonicContact NZ-OE2 2.88Å; K711-E728 PolarHBondContact NZ-OE2 2.85Å
712	I	91.7	Very high	94.7	Very high	34 Å²	34	50.7 Å²	50.7	17%	0.174	30%	0.297	C	S	.	.	S	Bend	trans	-107.6	133.1	-180	-66.5	165.9	0	0	0	108.1	T718 Y724 L726 E728 P731	I712-T718 HydrophobicContact CG2-CG2 4.37Å; I712-Y724 WeakPolarHBondContact CD1-OH 3Å; I712-L726 HydrophobicContact CD1-CD1 3.73Å; I712-E728 HydrophobicContact CD1-CB 3.76Å; I712-P731 WeakPolarHBondContact O-CB 3.39Å; I712-P731 WeakPolarHBondContact O-CG 3.44Å
713	V	92.5	Very high	94.6	Very high	104 Å²	104	56.6 Å²	56.6	63%	0.63	33%	0.325	S	S	*	.			trans	-91	117.3	172.9	179.9	0	0	0	0	108.3	N715 T718	V713-N715 PolarHBondContact O-N 2.88Å; V713-N715 PolarHBondContact O-ND2 2.96Å; V713-T718 PolarHBondContact O-OG1 2.96Å
714	F	95.5	Very high	94.6	Very high	18 Å²	18	55.7 Å²	55.7	8%	0.079	32%	0.319	C	S	.	.			trans	-69.1	117.3	177.8	-174.2	-148	0	0	0	111	L426 F429 F430 T718 P731 S733 Y734 F737 Y738	L426-F714 HydrophobicContact CD2-CE2 4.11Å; L426-F714 HydrophobicContact CD2-CZ 3.95Å; L426-F714 HydrophobicContact CG-CZ 4.4Å; F429-F714 HydrophobicContact CD1-CE1 4.35Å; F429-F714 HydrophobicContact CE1-CD1 4.15Å; F429-F714 AromaticContact CE1-CE1 3.86Å; F429-F714 HydrophobicContact CE1-CE1 3.86Å; F430-F714 AromaticContact CE1-CD1 3.81Å; F430-F714 HydrophobicContact CE1-CD1 3.81Å; F430-F714 HydrophobicContact CE1-CD2 4.04Å; F430-F714 AromaticContact CE1-CE1 3.81Å; F430-F714 HydrophobicContact CE1-CE1 3.81Å; F430-F714 HydrophobicContact CE1-CE2 4.05Å; F430-F714 AromaticContact CE1-CG 3.93Å; F430-F714 HydrophobicContact CE1-CG 3.93Å; F430-F714 AromaticContact CE1-CZ 3.94Å; F430-F714 HydrophobicContact CE1-CZ 3.94Å; F430-F714 HydrophobicContact CZ-CD1 4.4Å; F430-F714 AromaticContact CZ-CD2 3.94Å; F430-F714 HydrophobicContact CZ-CD2 3.94Å; F430-F714 HydrophobicContact CZ-CE1 4.14Å; F430-F714 AromaticContact CZ-CE2 3.66Å; F430-F714 HydrophobicContact CZ-CE2 3.66Å; F430-F714 HydrophobicContact CZ-CG 4.31Å; F430-F714 AromaticContact CZ-CZ 3.77Å; F430-F714 HydrophobicContact CZ-CZ 3.77Å; F714-T718 HydrophobicContact CD2-CG2 4Å; F714-P731 HydrophobicContact CB-CG 3.81Å; F714-S733 WeakPolarHBondContact CB-OG 3.36Å; F714-Y734 AromaticContact CD2-CD2 3.54Å; F714-Y734 HydrophobicContact CD2-CD2 3.54Å; F714-Y734 HydrophobicContact CD2-CE2 4.3Å; F714-Y734 HydrophobicContact CD2-CG 4.43Å; F714-Y734 AromaticContact CE2-CD2 3.44Å; F714-Y734 HydrophobicContact CE2-CD2 3.44Å; F714-Y734 VanDerWaalsContact CE2-CD2 3.44Å; F714-Y734 AromaticContact CE2-CE2 3.92Å; F714-Y734 HydrophobicContact CE2-CE2 3.92Å; F714-Y734 HydrophobicContact CE2-CG 4.36Å; F714-Y734 HydrophobicContact CG-CD2 4.2Å; F714-Y734 HydrophobicContact CZ-CD2 4.04Å; F714-F737 HydrophobicContact CE1-CB 3.9Å; F714-F737 HydrophobicContact CE1-CG 4.22Å; F714-F737 HydrophobicContact CZ-CD1 4.36Å; F714-F737 HydrophobicContact CZ-CG 4.5Å; F714-Y738 HydrophobicContact CE2-CE2 4.44Å; F714-Y738 HydrophobicContact CZ-CE2 4.1Å
715	N	93.6	Very high	94.5	Very high	59 Å²	59	58 Å²	58	32%	0.316	33%	0.332	S	S	.	.	S	Bend	trans	-154.1	-177.6	-179.5	61.8	39.8	0	0	0	110.1	F430 V713 S717 T718	F430-N715 VanDerWaalsContact CE2-C 3.43Å; F430-N715 WeakPolarHBondContact CZ-O 3.31Å; V713-N715 PolarHBondContact O-N 2.88Å; V713-N715 PolarHBondContact O-ND2 2.96Å; N715-S717 PolarHBondContact O-N 2.66Å; N715-S717 WeakPolarHBondContact OD1-CA 3.45Å; N715-S717 WeakPolarHBondContact OD1-CB 3.45Å; N715-S717 PolarHBondContact OD1-N 3.36Å; N715-S717 PolarHBondContact OD1-OG 2.78Å; N715-T718 PolarHBondContact N-OG1 2.62Å; N715-T718 VanDerWaalsContact O-CB 3.32Å; N715-T718 WeakPolarHBondContact O-CB 3.27Å; N715-T718 PolarHBondContact O-N 3.08Å; N715-T718 PolarHBondContact O-OG1 2.94Å; N715-T718 PolarHBondContact OD1-N 3.22Å; N715-T718 PolarHBondContact OD1-OG1 3.24Å
716	A	91.9	Very high	94.5	Very high	76 Å²	76	60.2 Å²	60.2	63%	0.628	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.9	-178.5	0	0	0	0	0	115.2	F430	F430-A716 HydrophobicContact CD2-CB 4.28Å; F430-A716 HydrophobicContact CE2-CB 4.18Å; F430-A716 VanDerWaalsContact CE2-N 3.34Å
717	S	93.3	Very high	94.3	Very high	101 Å²	101	65.9 Å²	65.9	71%	0.706	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.7	175.2	70	0	0	0	0	113.7	N715	N715-S717 PolarHBondContact O-N 2.66Å; N715-S717 WeakPolarHBondContact OD1-CA 3.45Å; N715-S717 WeakPolarHBondContact OD1-CB 3.45Å; N715-S717 PolarHBondContact OD1-N 3.36Å; N715-S717 PolarHBondContact OD1-OG 2.78Å
718	T	95.7	Very high	94.3	Very high	12 Å²	12	66.8 Å²	66.8	7%	0.074	37%	0.371	C	S	.	.	S	Bend	trans	-70.8	131.4	175.1	-51.1	0	0	0	0	109	I712 V713 F714 N715 Y724 Y734	I712-T718 HydrophobicContact CG2-CG2 4.37Å; V713-T718 PolarHBondContact O-OG1 2.96Å; F714-T718 HydrophobicContact CD2-CG2 4Å; N715-T718 PolarHBondContact N-OG1 2.62Å; N715-T718 VanDerWaalsContact O-CB 3.32Å; N715-T718 WeakPolarHBondContact O-CB 3.27Å; N715-T718 PolarHBondContact O-N 3.08Å; N715-T718 PolarHBondContact O-OG1 2.94Å; N715-T718 PolarHBondContact OD1-N 3.22Å; N715-T718 PolarHBondContact OD1-OG1 3.24Å; T718-Y724 HydrophobicContact CG2-CD2 4.33Å; T718-Y724 HydrophobicContact CG2-CE2 4.16Å; T718-Y734 HydrophobicContact CG2-CD2 3.96Å; T718-Y734 HydrophobicContact CG2-CE2 3.84Å
719	P	96.8	Very high	94.4	Very high	37 Å²	37	63.8 Å²	63.8	24%	0.24	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-55.3	146.8	178	-25.4	34	0	0	0	112	E723 Y724 Y734	P719-E723 HydrophobicContact CB-CB 4.03Å; P719-Y724 HydrophobicContact CB-CD2 4.35Å; P719-Y734 WeakPolarHBondContact O-CE2 3.49Å; P719-Y734 PolarHBondContact O-OH 3.35Å; P719-Y734 VanDerWaalsContact O-OH 3.13Å
720	T	97.2	Very high	94.8	Very high	22 Å²	22	59 Å²	59	14%	0.135	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-74.4	163.7	171	49.2	0	0	0	0	110.3	K376 D722 E723 Y724 Y734	K376-T720 HydrophobicContact CB-CG2 3.98Å; K376-T720 HydrophobicContact CD-CG2 4.32Å; K376-T720 HydrophobicContact CG-CG2 4.32Å; T720-D722 WeakPolarHBondContact CB-OD1 3.42Å; T720-D722 PolarHBondContact O-N 3.42Å; T720-D722 VanDerWaalsContact O-N 3.1Å; T720-D722 PolarHBondContact OG1-OD1 3.1Å; T720-E723 CarbonylContact O-C 3.55Å; T720-E723 WeakPolarHBondContact O-CA 3.34Å; T720-E723 PolarHBondContact O-N 3.06Å; T720-Y724 PolarHBondContact O-N 2.7Å; T720-Y734 VanDerWaalsContact C-OH 3.3Å
721	P	97.5	Very high	95.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.5	-172.9	-37.9	41.8	0	0	0	115.5	F666 Q667 I670 E723 Y734 Y738	F666-P721 HydrophobicContact CB-CB 4.44Å; F666-P721 HydrophobicContact CD1-CB 3.95Å; F666-P721 HydrophobicContact CD1-CG 4.06Å; F666-P721 PolarHBondContact N-O 3.42Å; Q667-P721 HydrophobicContact CB-CB 4.17Å; Q667-P721 WeakPolarHBondContact CB-O 3.5Å; Q667-P721 PolarHBondContact N-O 2.89Å; I670-P721 HydrophobicContact CG1-CB 4.45Å; P721-E723 PolarHBondContact O-N 2.82Å; P721-Y734 WeakPolarHBondContact CA-OH 3.25Å; P721-Y734 VanDerWaalsContact CD-OH 3.25Å; P721-Y734 WeakPolarHBondContact CD-OH 3.27Å; P721-Y734 HydrophobicContact CG-CE1 4.25Å; P721-Y734 WeakPolarHBondContact CG-OH 3.28Å; P721-Y734 VanDerWaalsContact N-OH 3.08Å; P721-Y738 VanDerWaalsContact CD-CE1 3.45Å; P721-Y738 VanDerWaalsContact CD-OH 3.29Å; P721-Y738 WeakPolarHBondContact CD-OH 3.05Å; P721-Y738 HydrophobicContact CG-CD1 3.69Å; P721-Y738 HydrophobicContact CG-CD2 3.79Å; P721-Y738 HydrophobicContact CG-CE1 3.57Å; P721-Y738 HydrophobicContact CG-CE2 3.69Å; P721-Y738 HydrophobicContact CG-CG 3.81Å
722	D	96.8	Very high	95.5	Very high	63 Å²	63	49.5 Å²	49.5	34%	0.337	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.6	176.4	52.1	-37.5	0	0	0	113.7	K376 Y665 Q667 T720	K376-D722 WeakPolarHBondContact CA-OD1 3.43Å; Y665-D722 WeakPolarHBondContact CD1-O 3.48Å; Q667-D722 HydrophobicContact CB-CB 4.47Å; T720-D722 WeakPolarHBondContact CB-OD1 3.42Å; T720-D722 PolarHBondContact O-N 3.42Å; T720-D722 VanDerWaalsContact O-N 3.1Å; T720-D722 PolarHBondContact OG1-OD1 3.1Å
723	E	97	Very high	95.7	Very high	123 Å²	123	48.6 Å²	48.6	58%	0.575	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-8.7	-179.7	-60.7	-176.6	153.3	0	0	112.9	P719 T720 P721 D725	P719-E723 HydrophobicContact CB-CB 4.03Å; T720-E723 CarbonylContact O-C 3.55Å; T720-E723 WeakPolarHBondContact O-CA 3.34Å; T720-E723 PolarHBondContact O-N 3.06Å; P721-E723 PolarHBondContact O-N 2.82Å; E723-D725 PolarHBondContact O-N 2.62Å; E723-D725 VanDerWaalsContact O-N 3.11Å
724	Y	97.3	Very high	96	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.249	C	C	.	.			trans	-78.6	98.7	-177.5	-165.7	-71	0	0	0	111	F654 Y665 F666 I712 T718 P719 T720 L726 E728 P730 Y734	F654-Y724 HydrophobicContact CD1-CD1 4.44Å; F654-Y724 HydrophobicContact CD1-CE1 4.2Å; F654-Y724 AromaticContact CE1-CD1 3.75Å; F654-Y724 HydrophobicContact CE1-CD1 3.75Å; F654-Y724 AromaticContact CE1-CE1 3.76Å; F654-Y724 HydrophobicContact CE1-CE1 3.76Å; F654-Y724 HydrophobicContact CZ-CD1 4.16Å; Y665-Y724 WeakPolarHBondContact CA-O 3.24Å; F666-Y724 HydrophobicContact CB-CD1 4.26Å; F666-Y724 HydrophobicContact CB-CG 4.35Å; F666-Y724 PolarHBondContact N-O 3.47Å; I712-Y724 WeakPolarHBondContact CD1-OH 3Å; T718-Y724 HydrophobicContact CG2-CD2 4.33Å; T718-Y724 HydrophobicContact CG2-CE2 4.16Å; P719-Y724 HydrophobicContact CB-CD2 4.35Å; T720-Y724 PolarHBondContact O-N 2.7Å; Y724-L726 HydrophobicContact CD1-CB 4.45Å; Y724-L726 HydrophobicContact CE1-CB 3.81Å; Y724-L726 HydrophobicContact CE1-CG 4.39Å; Y724-L726 HydrophobicContact CE2-CD1 4.05Å; Y724-E728 PolarHBondContact OH-O 3.37Å; Y724-P730 HydrophobicContact CD1-CG 4.08Å; Y724-P730 HydrophobicContact CE1-CG 3.59Å; Y724-P730 HydrophobicContact CE2-CB 4.35Å; Y724-P730 HydrophobicContact CE2-CG 4.19Å; Y724-P730 WeakPolarHBondContact OH-CA 3.48Å; Y724-Y734 AromaticContact CD2-CE2 3.99Å; Y724-Y734 HydrophobicContact CD2-CE2 3.99Å; Y724-Y734 AromaticContact CD2-CZ 3.95Å; Y724-Y734 HydrophobicContact CE2-CE2 4.41Å
725	D	96.1	Very high	96.1	Very high	76 Å²	76	43 Å²	43	41%	0.406	25%	0.246	S	C	.	.			trans	-119.5	16.9	176.9	64	-1.8	0	0	0	113.2	H658 Y665 E723	H658-D725 PolarHBondContact CE1-O 2.92Å; H658-D725 PolarHBondContact NE2-O 3.16Å; Y665-D725 HydrophobicContact CD1-CB 3.77Å; Y665-D725 HydrophobicContact CE1-CB 3.69Å; E723-D725 PolarHBondContact O-N 2.62Å; E723-D725 VanDerWaalsContact O-N 3.11Å
726	L	95.1	Very high	96.4	Very high	68 Å²	68	40.1 Å²	40.1	36%	0.356	23%	0.231	S	C	.	.			trans	-68.2	141.3	-179.2	-56.6	-179.9	0	0	0	110.7	F654 I712 Y724 E728	F654-L726 WeakPolarHBondContact CE1-O 3.35Å; I712-L726 HydrophobicContact CD1-CD1 3.73Å; Y724-L726 HydrophobicContact CD1-CB 4.45Å; Y724-L726 HydrophobicContact CE1-CB 3.81Å; Y724-L726 HydrophobicContact CE1-CG 4.39Å; Y724-L726 HydrophobicContact CE2-CD1 4.05Å; L726-E728 PolarHBondContact O-N 3.15Å
727	N	93.4	Very high	96.7	Very high	124 Å²	124	36.5 Å²	36.5	66%	0.663	20%	0.201	S	C	*	.	S	Bend	trans	-65.3	-19	176.6	-69.7	-35.6	0	0	0	113.8	H658	H658-N727 PolarHBondContact CE1-OD1 2.85Å; H658-N727 PolarHBondContact ND1-OD1 3.23Å
728	E	94.8	Very high	96.9	Very high	80 Å²	80	31.7 Å²	31.7	37%	0.374	17%	0.167	S	C	.	.	S	Bend	trans	-85.5	138.5	178.6	-63.7	-67.2	-176.8	0	0	110.4	K711 I712 Y724 L726	K711-E728 HydrophobicContact CD-CG 4.28Å; K711-E728 WeakPolarHBondContact CD-OE1 3.4Å; K711-E728 WeakPolarHBondContact CD-OE2 3.36Å; K711-E728 WeakPolarHBondContact CE-OE2 3.28Å; K711-E728 IonicContact NZ-OE1 3.93Å; K711-E728 PolarHBondContact NZ-OE1 3Å; K711-E728 IonicContact NZ-OE2 2.88Å; K711-E728 PolarHBondContact NZ-OE2 2.85Å; I712-E728 HydrophobicContact CD1-CB 3.76Å; Y724-E728 PolarHBondContact OH-O 3.37Å; L726-E728 PolarHBondContact O-N 3.15Å
729	N	96.5	Very high	97.1	Very high	34 Å²	34	31.4 Å²	31.4	18%	0.182	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-60	134.7	176.9	-158.1	29	0	0	0	110	R652 F654 D655 Y735	R652-N729 PolarHBondContact O-ND2 3.48Å; F654-N729 PolarHBondContact N-OD1 3.02Å; D655-N729 HydrophobicContact CB-CB 3.81Å; N729-Y735 PolarHBondContact OD1-OH 2.75Å
730	P	97.1	Very high	97.1	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.019	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-54.6	146.2	172.3	-22.1	27.7	0	0	0	111.5	F654 F666 Y724 Y734 Y735	F654-P730 HydrophobicContact CD1-CG 4.3Å; F666-P730 HydrophobicContact CD2-CG 3.71Å; F666-P730 HydrophobicContact CE2-CG 3.91Å; F666-P730 HydrophobicContact CG-CG 4.36Å; Y724-P730 HydrophobicContact CD1-CG 4.08Å; Y724-P730 HydrophobicContact CE1-CG 3.59Å; Y724-P730 HydrophobicContact CE2-CB 4.35Å; Y724-P730 HydrophobicContact CE2-CG 4.19Å; Y724-P730 WeakPolarHBondContact OH-CA 3.48Å; P730-Y734 HydrophobicContact CB-CD1 3.51Å; P730-Y734 HydrophobicContact CB-CD2 4.44Å; P730-Y734 HydrophobicContact CB-CE1 4.13Å; P730-Y734 HydrophobicContact CB-CG 3.7Å; P730-Y734 HydrophobicContact CG-CD1 4.13Å; P730-Y734 HydrophobicContact CG-CE1 4.3Å; P730-Y735 HydrophobicContact CB-CD2 4.06Å; P730-Y735 HydrophobicContact CB-CE2 3.81Å; P730-Y735 HydrophobicContact CG-CE2 4.03Å; P730-Y735 WeakPolarHBondContact O-CE2 3.4Å
731	P	97.1	Very high	97.2	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.013	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-67	163.5	-179.5	29.8	-36.3	0	0	0	111.6	D710 I712 F714 S733 Y734 Y735	D710-P731 HydrophobicContact CB-CB 3.88Å; D710-P731 VanDerWaalsContact CG-CB 3.45Å; D710-P731 VanDerWaalsContact OD1-CA 3.31Å; D710-P731 WeakPolarHBondContact OD1-CA 3.46Å; I712-P731 WeakPolarHBondContact O-CB 3.39Å; I712-P731 WeakPolarHBondContact O-CG 3.44Å; F714-P731 HydrophobicContact CB-CG 3.81Å; P731-S733 VanDerWaalsContact C-N 3.29Å; P731-S733 PolarHBondContact O-N 3.02Å; P731-Y734 VanDerWaalsContact O-CB 3.26Å; P731-Y734 WeakPolarHBondContact O-CB 3.33Å; P731-Y734 PolarHBondContact O-N 3.05Å; P731-Y735 PolarHBondContact O-N 3.17Å
732	Y	98	Very high	97.2	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-49.3	-49.1	-179.2	-178.7	-91.5	0	0	0	112.8	D710 Y734 Y735 I736 H763 S764 H772 C776	D710-Y732 PolarHBondContact OD1-N 3.17Å; Y732-Y734 PolarHBondContact O-N 3.33Å; Y732-Y735 PolarHBondContact O-N 3.38Å; Y732-I736 HydrophobicContact CD1-CG1 3.74Å; Y732-I736 HydrophobicContact CD2-CG1 4.49Å; Y732-I736 HydrophobicContact CE1-CB 4.49Å; Y732-I736 HydrophobicContact CE1-CD1 4.14Å; Y732-I736 HydrophobicContact CE1-CG1 3.38Å; Y732-I736 HydrophobicContact CE2-CD1 4.2Å; Y732-I736 HydrophobicContact CE2-CG1 4.19Å; Y732-I736 HydrophobicContact CG-CG1 4.29Å; Y732-I736 WeakPolarHBondContact O-CG1 3.49Å; Y732-I736 PolarHBondContact O-N 3.25Å; Y732-I736 VanDerWaalsContact O-N 3.08Å; Y732-H763 WeakPolarHBondContact CE2-O 3.26Å; Y732-H763 PolarHBondContact OH-O 3.48Å; Y732-S764 WeakPolarHBondContact OH-CB 3.38Å; Y732-S764 PolarHBondContact OH-OG 3.23Å; Y732-S764 VanDerWaalsContact OH-OG 3.07Å; Y732-H772 WeakPolarHBondContact CB-NE2 3.4Å; Y732-H772 HydrophobicContact CD1-CB 3.61Å; Y732-H772 AromaticContact CD1-CD2 3.73Å; Y732-H772 AromaticContact CD1-CG 3.56Å; Y732-H772 AromaticContact CD2-ND1 3.95Å; Y732-H772 HydrophobicContact CE1-CB 3.58Å; Y732-H772 HydrophobicContact CG-CB 4.16Å; Y732-H772 AromaticContact CG-CD2 3.71Å; Y732-H772 AromaticContact CG-CG 3.63Å; Y732-H772 AromaticContact CG-ND1 3.82Å; Y732-H772 AromaticContact CG-NE2 3.99Å; Y732-C776 PolarHBondContact OH-SG 2.94Å
733	S	97.5	Very high	97.3	Very high	15 Å²	15	25.6 Å²	25.6	11%	0.105	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-28.8	-178.6	54.3	0	0	0	0	114.2	F714 P731 F737	F714-S733 WeakPolarHBondContact CB-OG 3.36Å; P731-S733 VanDerWaalsContact C-N 3.29Å; P731-S733 PolarHBondContact O-N 3.02Å; S733-F737 VanDerWaalsContact O-CB 3.3Å; S733-F737 WeakPolarHBondContact O-CB 3.28Å; S733-F737 PolarHBondContact O-N 3.07Å
734	Y	98.2	Very high	97.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.2	-50.9	177	-170.8	-77.7	0	0	0	111	F666 F714 T718 P719 T720 P721 Y724 P730 P731 Y732 I736 F737 Y738	F666-Y734 HydrophobicContact CD1-CD1 4.32Å; F666-Y734 AromaticContact CD1-CE1 3.49Å; F666-Y734 HydrophobicContact CD1-CE1 3.49Å; F666-Y734 VanDerWaalsContact CD1-CE1 3.49Å; F666-Y734 HydrophobicContact CE1-CD1 4.02Å; F666-Y734 AromaticContact CE1-CE1 3.61Å; F666-Y734 HydrophobicContact CE1-CE1 3.61Å; F666-Y734 AromaticContact CG-CE1 3.98Å; F666-Y734 HydrophobicContact CG-CE1 3.98Å; F666-Y734 HydrophobicContact CZ-CD1 4.3Å; F666-Y734 HydrophobicContact CZ-CE1 4.25Å; F714-Y734 AromaticContact CD2-CD2 3.54Å; F714-Y734 HydrophobicContact CD2-CD2 3.54Å; F714-Y734 HydrophobicContact CD2-CE2 4.3Å; F714-Y734 HydrophobicContact CD2-CG 4.43Å; F714-Y734 AromaticContact CE2-CD2 3.44Å; F714-Y734 HydrophobicContact CE2-CD2 3.44Å; F714-Y734 VanDerWaalsContact CE2-CD2 3.44Å; F714-Y734 AromaticContact CE2-CE2 3.92Å; F714-Y734 HydrophobicContact CE2-CE2 3.92Å; F714-Y734 HydrophobicContact CE2-CG 4.36Å; F714-Y734 HydrophobicContact CG-CD2 4.2Å; F714-Y734 HydrophobicContact CZ-CD2 4.04Å; T718-Y734 HydrophobicContact CG2-CD2 3.96Å; T718-Y734 HydrophobicContact CG2-CE2 3.84Å; P719-Y734 WeakPolarHBondContact O-CE2 3.49Å; P719-Y734 PolarHBondContact O-OH 3.35Å; P719-Y734 VanDerWaalsContact O-OH 3.13Å; T720-Y734 VanDerWaalsContact C-OH 3.3Å; P721-Y734 WeakPolarHBondContact CA-OH 3.25Å; P721-Y734 VanDerWaalsContact CD-OH 3.25Å; P721-Y734 WeakPolarHBondContact CD-OH 3.27Å; P721-Y734 HydrophobicContact CG-CE1 4.25Å; P721-Y734 WeakPolarHBondContact CG-OH 3.28Å; P721-Y734 VanDerWaalsContact N-OH 3.08Å; Y724-Y734 AromaticContact CD2-CE2 3.99Å; Y724-Y734 HydrophobicContact CD2-CE2 3.99Å; Y724-Y734 AromaticContact CD2-CZ 3.95Å; Y724-Y734 HydrophobicContact CE2-CE2 4.41Å; P730-Y734 HydrophobicContact CB-CD1 3.51Å; P730-Y734 HydrophobicContact CB-CD2 4.44Å; P730-Y734 HydrophobicContact CB-CE1 4.13Å; P730-Y734 HydrophobicContact CB-CG 3.7Å; P730-Y734 HydrophobicContact CG-CD1 4.13Å; P730-Y734 HydrophobicContact CG-CE1 4.3Å; P731-Y734 VanDerWaalsContact O-CB 3.26Å; P731-Y734 WeakPolarHBondContact O-CB 3.33Å; P731-Y734 PolarHBondContact O-N 3.05Å; Y732-Y734 PolarHBondContact O-N 3.33Å; Y734-I736 PolarHBondContact O-N 2.82Å; Y734-F737 PolarHBondContact O-N 3.32Å; Y734-Y738 AromaticContact CD1-CD2 3.68Å; Y734-Y738 HydrophobicContact CD1-CD2 3.68Å; Y734-Y738 AromaticContact CD1-CE2 3.98Å; Y734-Y738 HydrophobicContact CD1-CE2 3.98Å; Y734-Y738 HydrophobicContact CD2-CD2 4.45Å; Y734-Y738 AromaticContact CD2-CE2 3.98Å; Y734-Y738 HydrophobicContact CD2-CE2 3.98Å; Y734-Y738 AromaticContact CE1-CD2 3.5Å; Y734-Y738 HydrophobicContact CE1-CD2 3.5Å; Y734-Y738 AromaticContact CE1-CE2 3.6Å; Y734-Y738 HydrophobicContact CE1-CE2 3.6Å; Y734-Y738 HydrophobicContact CE2-CD2 4.3Å; Y734-Y738 AromaticContact CE2-CE2 3.6Å; Y734-Y738 HydrophobicContact CE2-CE2 3.6Å; Y734-Y738 HydrophobicContact CG-CD2 4.16Å; Y734-Y738 HydrophobicContact CG-CE2 4.15Å; Y734-Y738 AromaticContact CZ-CD2 3.84Å; Y734-Y738 AromaticContact CZ-CE2 3.39Å; Y734-Y738 VanDerWaalsContact O-CD2 3.31Å; Y734-Y738 WeakPolarHBondContact O-CD2 3.49Å; Y734-Y738 PolarHBondContact O-N 3.1Å; Y734-Y738 VanDerWaalsContact O-N 3.16Å
735	Y	98.3	Very high	97.3	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-57.1	-51	175.4	-82.4	-92.2	0	0	0	111.1	R652 F654 F666 N729 P730 P731 Y732 F737 Y738 M739	R652-Y735 HydrophobicContact CB-CD1 4.32Å; R652-Y735 HydrophobicContact CB-CD2 4.27Å; R652-Y735 HydrophobicContact CB-CE1 3.93Å; R652-Y735 HydrophobicContact CB-CE2 3.88Å; R652-Y735 HydrophobicContact CB-CG 4.46Å; R652-Y735 HydrophobicContact CG-CD1 3.84Å; R652-Y735 HydrophobicContact CG-CD2 4.04Å; R652-Y735 HydrophobicContact CG-CE1 3.96Å; R652-Y735 HydrophobicContact CG-CE2 4.16Å; R652-Y735 HydrophobicContact CG-CG 3.87Å; F654-Y735 WeakPolarHBondContact CB-OH 3.45Å; F654-Y735 PolarHBondContact N-OH 3.02Å; F666-Y735 AromaticContact CE2-CD1 3.99Å; F666-Y735 HydrophobicContact CE2-CD1 3.99Å; F666-Y735 AromaticContact CE2-CE1 3.43Å; F666-Y735 HydrophobicContact CE2-CE1 3.43Å; F666-Y735 VanDerWaalsContact CE2-CE1 3.43Å; F666-Y735 HydrophobicContact CE2-CE2 4.14Å; F666-Y735 AromaticContact CE2-CZ 3.53Å; F666-Y735 AromaticContact CZ-CD1 3.66Å; F666-Y735 HydrophobicContact CZ-CD1 3.66Å; F666-Y735 AromaticContact CZ-CE1 3.59Å; F666-Y735 HydrophobicContact CZ-CE1 3.59Å; F666-Y735 HydrophobicContact CZ-CG 4.19Å; N729-Y735 PolarHBondContact OD1-OH 2.75Å; P730-Y735 HydrophobicContact CB-CD2 4.06Å; P730-Y735 HydrophobicContact CB-CE2 3.81Å; P730-Y735 HydrophobicContact CG-CE2 4.03Å; P730-Y735 WeakPolarHBondContact O-CE2 3.4Å; P731-Y735 PolarHBondContact O-N 3.17Å; Y732-Y735 PolarHBondContact O-N 3.38Å; Y735-F737 VanDerWaalsContact C-N 3.35Å; Y735-F737 PolarHBondContact O-N 3.49Å; Y735-Y738 PolarHBondContact O-N 3.4Å; Y735-M739 VanDerWaalsContact O-CB 3.29Å; Y735-M739 WeakPolarHBondContact O-CB 3.29Å; Y735-M739 WeakPolarHBondContact O-CG 3.48Å; Y735-M739 PolarHBondContact O-N 2.71Å
736	I	98.3	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.8	-41	-176.4	-60.3	-50.5	0	0	0	111.4	Y732 Y734 F740 F760 P762 T775 L779	Y732-I736 HydrophobicContact CD1-CG1 3.74Å; Y732-I736 HydrophobicContact CD2-CG1 4.49Å; Y732-I736 HydrophobicContact CE1-CB 4.49Å; Y732-I736 HydrophobicContact CE1-CD1 4.14Å; Y732-I736 HydrophobicContact CE1-CG1 3.38Å; Y732-I736 HydrophobicContact CE2-CD1 4.2Å; Y732-I736 HydrophobicContact CE2-CG1 4.19Å; Y732-I736 HydrophobicContact CG-CG1 4.29Å; Y732-I736 WeakPolarHBondContact O-CG1 3.49Å; Y732-I736 PolarHBondContact O-N 3.25Å; Y732-I736 VanDerWaalsContact O-N 3.08Å; Y734-I736 PolarHBondContact O-N 2.82Å; I736-F740 WeakPolarHBondContact O-CB 3.43Å; I736-F740 PolarHBondContact O-N 3.24Å; I736-F760 HydrophobicContact CB-CE1 4.32Å; I736-F760 HydrophobicContact CB-CZ 4.39Å; I736-F760 HydrophobicContact CD1-CE1 4.29Å; I736-F760 HydrophobicContact CD1-CE2 4.47Å; I736-F760 HydrophobicContact CD1-CZ 3.63Å; I736-F760 HydrophobicContact CG2-CE1 3.55Å; I736-F760 HydrophobicContact CG2-CZ 4.03Å; I736-F760 WeakPolarHBondContact O-CE1 3.32Å; I736-P762 HydrophobicContact CD1-CB 3.85Å; I736-P762 HydrophobicContact CD1-CG 4.27Å; I736-T775 HydrophobicContact CB-CG2 3.92Å; I736-T775 HydrophobicContact CG2-CG2 3.67Å; I736-L779 HydrophobicContact CG2-CB 4.29Å; I736-L779 HydrophobicContact CG2-CD1 4.09Å
737	F	98.4	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-52.4	178	176.4	-89.2	0	0	0	112.4	I378 P424 L426 F429 F714 S733 Y734 Y735 M739 F740 A741 L779	I378-F737 HydrophobicContact CD1-CE1 4.35Å; P424-F737 HydrophobicContact CB-CZ 4.4Å; L426-F737 HydrophobicContact CD1-CD1 4.04Å; L426-F737 HydrophobicContact CD1-CE1 3.16Å; L426-F737 HydrophobicContact CD1-CZ 3.53Å; L426-F737 HydrophobicContact CG-CD1 4.35Å; L426-F737 HydrophobicContact CG-CE1 3.77Å; L426-F737 HydrophobicContact CG-CZ 3.94Å; F429-F737 HydrophobicContact CB-CD2 3.92Å; F429-F737 HydrophobicContact CB-CE2 3.59Å; F429-F737 AromaticContact CD1-CD2 3.6Å; F429-F737 HydrophobicContact CD1-CD2 3.6Å; F429-F737 HydrophobicContact CD1-CE2 4.09Å; F429-F737 HydrophobicContact CD1-CG 4.27Å; F429-F737 AromaticContact CD2-CD2 3.84Å; F429-F737 HydrophobicContact CD2-CD2 3.84Å; F429-F737 HydrophobicContact CD2-CE2 4.3Å; F429-F737 HydrophobicContact CE1-CB 4.36Å; F429-F737 HydrophobicContact CE1-CD2 4.06Å; F429-F737 HydrophobicContact CE1-CG 4.44Å; F429-F737 HydrophobicContact CE2-CD2 4.27Å; F429-F737 AromaticContact CG-CD2 3.48Å; F429-F737 HydrophobicContact CG-CD2 3.48Å; F429-F737 VanDerWaalsContact CG-CD2 3.48Å; F429-F737 AromaticContact CG-CE2 3.72Å; F429-F737 HydrophobicContact CG-CE2 3.72Å; F429-F737 HydrophobicContact CZ-CD2 4.37Å; F714-F737 HydrophobicContact CE1-CB 3.9Å; F714-F737 HydrophobicContact CE1-CG 4.22Å; F714-F737 HydrophobicContact CZ-CD1 4.36Å; F714-F737 HydrophobicContact CZ-CG 4.5Å; S733-F737 VanDerWaalsContact O-CB 3.3Å; S733-F737 WeakPolarHBondContact O-CB 3.28Å; S733-F737 PolarHBondContact O-N 3.07Å; Y734-F737 PolarHBondContact O-N 3.32Å; Y735-F737 VanDerWaalsContact C-N 3.35Å; Y735-F737 PolarHBondContact O-N 3.49Å; F737-M739 VanDerWaalsContact C-N 3.34Å; F737-M739 PolarHBondContact O-N 2.92Å; F737-F740 PolarHBondContact O-N 3.23Å; F737-A741 HydrophobicContact CE1-CB 4.36Å; F737-A741 WeakPolarHBondContact O-CB 3.21Å; F737-A741 PolarHBondContact O-N 3.19Å; F737-L779 HydrophobicContact CB-CD1 4.34Å; F737-L779 HydrophobicContact CD2-CD1 4.39Å
738	Y	98.5	Very high	97.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-70.6	-31.3	-177.1	-74.2	-70	0	0	0	112.6	K376 I378 L426 F714 P721 Y734 Y735 N742	K376-Y738 WeakPolarHBondContact O-CE1 3.26Å; I378-Y738 HydrophobicContact CG1-CD1 4.31Å; I378-Y738 HydrophobicContact CG1-CE1 4.44Å; L426-Y738 HydrophobicContact CD1-CE1 4.14Å; F714-Y738 HydrophobicContact CE2-CE2 4.44Å; F714-Y738 HydrophobicContact CZ-CE2 4.1Å; P721-Y738 VanDerWaalsContact CD-CE1 3.45Å; P721-Y738 VanDerWaalsContact CD-OH 3.29Å; P721-Y738 WeakPolarHBondContact CD-OH 3.05Å; P721-Y738 HydrophobicContact CG-CD1 3.69Å; P721-Y738 HydrophobicContact CG-CD2 3.79Å; P721-Y738 HydrophobicContact CG-CE1 3.57Å; P721-Y738 HydrophobicContact CG-CE2 3.69Å; P721-Y738 HydrophobicContact CG-CG 3.81Å; Y734-Y738 AromaticContact CD1-CD2 3.68Å; Y734-Y738 HydrophobicContact CD1-CD2 3.68Å; Y734-Y738 AromaticContact CD1-CE2 3.98Å; Y734-Y738 HydrophobicContact CD1-CE2 3.98Å; Y734-Y738 HydrophobicContact CD2-CD2 4.45Å; Y734-Y738 AromaticContact CD2-CE2 3.98Å; Y734-Y738 HydrophobicContact CD2-CE2 3.98Å; Y734-Y738 AromaticContact CE1-CD2 3.5Å; Y734-Y738 HydrophobicContact CE1-CD2 3.5Å; Y734-Y738 AromaticContact CE1-CE2 3.6Å; Y734-Y738 HydrophobicContact CE1-CE2 3.6Å; Y734-Y738 HydrophobicContact CE2-CD2 4.3Å; Y734-Y738 AromaticContact CE2-CE2 3.6Å; Y734-Y738 HydrophobicContact CE2-CE2 3.6Å; Y734-Y738 HydrophobicContact CG-CD2 4.16Å; Y734-Y738 HydrophobicContact CG-CE2 4.15Å; Y734-Y738 AromaticContact CZ-CD2 3.84Å; Y734-Y738 AromaticContact CZ-CE2 3.39Å; Y734-Y738 VanDerWaalsContact O-CD2 3.31Å; Y734-Y738 WeakPolarHBondContact O-CD2 3.49Å; Y734-Y738 PolarHBondContact O-N 3.1Å; Y734-Y738 VanDerWaalsContact O-N 3.16Å; Y735-Y738 PolarHBondContact O-N 3.4Å; Y738-N742 PolarHBondContact O-N 3.13Å; Y738-N742 PolarHBondContact O-ND2 3.31Å
739	M	98.5	Very high	97.7	Very high	5 Å²	5	4 Å²	4	3%	0.025	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-51.1	169.2	-72.2	-179.5	71.8	0	0	110.9	V650 F674 F700 Y735 F737 A741 N742 I743 F760	V650-M739 HydrophobicContact CB-CE 3.96Å; V650-M739 HydrophobicContact CB-SD 4.32Å; V650-M739 HydrophobicContact CG2-CE 3.8Å; F674-M739 HydrophobicContact CE2-CG 4.43Å; F674-M739 HydrophobicContact CZ-CB 4.29Å; F674-M739 HydrophobicContact CZ-CG 4.34Å; F700-M739 HydrophobicContact CB-CE 4.23Å; Y735-M739 VanDerWaalsContact O-CB 3.29Å; Y735-M739 WeakPolarHBondContact O-CB 3.29Å; Y735-M739 WeakPolarHBondContact O-CG 3.48Å; Y735-M739 PolarHBondContact O-N 2.71Å; F737-M739 VanDerWaalsContact C-N 3.34Å; F737-M739 PolarHBondContact O-N 2.92Å; M739-A741 VanDerWaalsContact C-N 3.31Å; M739-A741 PolarHBondContact O-N 3.4Å; M739-N742 PolarHBondContact O-N 3.26Å; M739-I743 HydrophobicContact CB-CD1 4.42Å; M739-I743 WeakPolarHBondContact O-CB 3.49Å; M739-I743 WeakPolarHBondContact O-CD1 3.4Å; M739-I743 WeakPolarHBondContact O-CG1 3.5Å; M739-I743 PolarHBondContact O-N 3.22Å; M739-F760 HydrophobicContact CB-CE1 4.32Å; M739-F760 HydrophobicContact CB-CE2 4.25Å; M739-F760 HydrophobicContact CB-CZ 3.78Å; M739-F760 HydrophobicContact CE-CE2 3.79Å; M739-F760 HydrophobicContact CE-CZ 4.3Å; M739-F760 HydrophobicContact SD-CE2 4.31Å; M739-F760 HydrophobicContact SD-CZ 4.26Å
740	F	98.6	Very high	97.7	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-55.4	-45.6	177.1	168.1	-91.8	0	0	0	112.2	Y263 S267 P424 I736 F737 N742 I743 S744 F760 L779	Y263-F740 AromaticContact CD1-CE1 3.83Å; Y263-F740 HydrophobicContact CD1-CE1 3.83Å; Y263-F740 AromaticContact CD1-CZ 3.83Å; Y263-F740 HydrophobicContact CD1-CZ 3.83Å; Y263-F740 HydrophobicContact CG-CZ 4.36Å; S267-F740 VanDerWaalsContact CB-CE2 3.44Å; S267-F740 VanDerWaalsContact OG-CE2 3.32Å; S267-F740 WeakPolarHBondContact OG-CE2 3.22Å; P424-F740 HydrophobicContact CB-CE1 4.22Å; P424-F740 HydrophobicContact CG-CD1 4.39Å; P424-F740 HydrophobicContact CG-CE1 3.89Å; I736-F740 WeakPolarHBondContact O-CB 3.43Å; I736-F740 PolarHBondContact O-N 3.24Å; F737-F740 PolarHBondContact O-N 3.23Å; F740-N742 PolarHBondContact O-N 2.94Å; F740-I743 PolarHBondContact O-N 3.02Å; F740-S744 WeakPolarHBondContact O-CB 3.5Å; F740-S744 PolarHBondContact O-N 2.78Å; F740-F760 HydrophobicContact CB-CD1 4.19Å; F740-F760 HydrophobicContact CB-CE1 4.13Å; F740-L779 HydrophobicContact CB-CB 4.11Å; F740-L779 HydrophobicContact CB-CD1 4.08Å; F740-L779 HydrophobicContact CD1-CD1 4.4Å; F740-L779 HydrophobicContact CD1-CD2 3.75Å; F740-L779 HydrophobicContact CD1-CG 4.46Å; F740-L779 HydrophobicContact CD2-CB 3.72Å; F740-L779 HydrophobicContact CD2-CD2 4.11Å; F740-L779 HydrophobicContact CD2-CG 4.41Å; F740-L779 WeakPolarHBondContact CD2-O 3.29Å; F740-L779 HydrophobicContact CE1-CD2 3.82Å; F740-L779 HydrophobicContact CE2-CB 4.26Å; F740-L779 HydrophobicContact CE2-CD2 4.13Å; F740-L779 WeakPolarHBondContact CE2-O 3.27Å; F740-L779 HydrophobicContact CG-CB 3.88Å; F740-L779 HydrophobicContact CG-CD1 4.2Å; F740-L779 HydrophobicContact CG-CD2 3.91Å; F740-L779 HydrophobicContact CG-CG 4.2Å; F740-L779 HydrophobicContact CZ-CD2 4Å
741	A	98.2	Very high	97.5	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62	-44.3	-176.7	0	0	0	0	0	112	I378 P424 F737 M739 S744 Q745	I378-A741 HydrophobicContact CD1-CB 3.87Å; I378-A741 HydrophobicContact CG1-CB 3.9Å; I378-A741 HydrophobicContact CG2-CB 4.3Å; P424-A741 HydrophobicContact CB-CB 4.27Å; P424-A741 HydrophobicContact CG-CB 4.23Å; F737-A741 HydrophobicContact CE1-CB 4.36Å; F737-A741 WeakPolarHBondContact O-CB 3.21Å; F737-A741 PolarHBondContact O-N 3.19Å; M739-A741 VanDerWaalsContact C-N 3.31Å; M739-A741 PolarHBondContact O-N 3.4Å; A741-S744 PolarHBondContact O-N 3.33Å; A741-Q745 WeakPolarHBondContact O-CG 3.5Å; A741-Q745 PolarHBondContact O-N 3.47Å; A741-Q745 VanDerWaalsContact O-N 3.14Å
742	N	98.5	Very high	97.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-73.6	-36	177.3	-71.9	-71.3	0	0	0	112.7	F374 G377 M379 F674 Y738 M739 F740 S744 Q745 L746	F374-N742 WeakPolarHBondContact CE1-OD1 3.5Å; G377-N742 PolarHBondContact O-ND2 3.1Å; M379-N742 PolarHBondContact N-OD1 3.36Å; F674-N742 HydrophobicContact CB-CB 4.28Å; F674-N742 HydrophobicContact CD1-CB 3.59Å; F674-N742 HydrophobicContact CD2-CB 3.58Å; F674-N742 HydrophobicContact CE1-CB 3.72Å; F674-N742 HydrophobicContact CE2-CB 3.69Å; F674-N742 HydrophobicContact CG-CB 3.53Å; F674-N742 HydrophobicContact CZ-CB 3.77Å; Y738-N742 PolarHBondContact O-N 3.13Å; Y738-N742 PolarHBondContact O-ND2 3.31Å; M739-N742 PolarHBondContact O-N 3.26Å; F740-N742 PolarHBondContact O-N 2.94Å; N742-S744 VanDerWaalsContact C-N 3.33Å; N742-S744 PolarHBondContact O-N 3.46Å; N742-Q745 PolarHBondContact O-N 3.28Å; N742-L746 VanDerWaalsContact O-CB 3.22Å; N742-L746 WeakPolarHBondContact O-CB 3.35Å; N742-L746 PolarHBondContact O-N 3.47Å
743	I	98.4	Very high	96.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.5	-42.6	172.1	-68.1	165	0	0	0	110.5	F674 F700 M739 F740 L746 N747 F760	F674-I743 HydrophobicContact CE1-CG1 3.78Å; F674-I743 HydrophobicContact CZ-CG1 4.12Å; F700-I743 HydrophobicContact CB-CD1 3.74Å; F700-I743 HydrophobicContact CD2-CD1 3.64Å; F700-I743 HydrophobicContact CD2-CG1 3.75Å; F700-I743 HydrophobicContact CE2-CD1 4.45Å; F700-I743 HydrophobicContact CE2-CG1 4.07Å; F700-I743 HydrophobicContact CG-CD1 3.77Å; F700-I743 HydrophobicContact CG-CG1 4.24Å; M739-I743 HydrophobicContact CB-CD1 4.42Å; M739-I743 WeakPolarHBondContact O-CB 3.49Å; M739-I743 WeakPolarHBondContact O-CD1 3.4Å; M739-I743 WeakPolarHBondContact O-CG1 3.5Å; M739-I743 PolarHBondContact O-N 3.22Å; F740-I743 PolarHBondContact O-N 3.02Å; I743-L746 PolarHBondContact O-N 3.21Å; I743-N747 VanDerWaalsContact O-CB 3.25Å; I743-N747 WeakPolarHBondContact O-CB 3.48Å; I743-N747 PolarHBondContact O-N 2.82Å; I743-F760 HydrophobicContact CD1-CB 4.09Å; I743-F760 HydrophobicContact CD1-CD1 4.45Å; I743-F760 HydrophobicContact CD1-CD2 3.8Å; I743-F760 HydrophobicContact CD1-CE2 4.33Å; I743-F760 HydrophobicContact CD1-CG 3.88Å
744	S	97.7	Very high	96.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-47.9	177.3	167.8	0	0	0	0	111.7	S266 F740 A741 N742 N747 Q748	S266-S744 PolarHBondContact O-OG 3.31Å; F740-S744 WeakPolarHBondContact O-CB 3.5Å; F740-S744 PolarHBondContact O-N 2.78Å; A741-S744 PolarHBondContact O-N 3.33Å; N742-S744 VanDerWaalsContact C-N 3.33Å; N742-S744 PolarHBondContact O-N 3.46Å; S744-N747 PolarHBondContact O-N 3.45Å; S744-Q748 VanDerWaalsContact O-CG 3.31Å; S744-Q748 WeakPolarHBondContact O-CG 3.23Å; S744-Q748 PolarHBondContact O-N 2.6Å; S744-Q748 PolarHBondContact O-NE2 3.38Å; S744-Q748 PolarHBondContact OG-NE2 3.41Å
745	Q	97.1	Very high	96.3	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.5	-71.6	-64.6	-59.4	0	0	111.7	I378 I422 F678 A741 N742 N747 Q748 L749	I378-Q745 HydrophobicContact CG2-CG 4.06Å; I422-Q745 PolarHBondContact O-NE2 2.96Å; F678-Q745 HydrophobicContact CE1-CB 4.22Å; F678-Q745 HydrophobicContact CZ-CB 3.87Å; A741-Q745 WeakPolarHBondContact O-CG 3.5Å; A741-Q745 PolarHBondContact O-N 3.47Å; A741-Q745 VanDerWaalsContact O-N 3.14Å; N742-Q745 PolarHBondContact O-N 3.28Å; Q745-N747 PolarHBondContact O-N 3.4Å; Q745-Q748 PolarHBondContact O-N 2.92Å; Q745-L749 PolarHBondContact O-N 3.1Å
746	L	97.8	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.2	-43.4	177.9	-177.3	61.2	0	0	0	111.6	L677 F678 N742 I743 L749 R750 F758	L677-L746 HydrophobicContact CB-CD1 4.17Å; L677-L746 HydrophobicContact CB-CD2 3.76Å; L677-L746 HydrophobicContact CD1-CD2 3.74Å; L677-L746 HydrophobicContact CG-CD2 4.42Å; F678-L746 HydrophobicContact CD1-CD1 3.92Å; F678-L746 HydrophobicContact CD2-CD1 4.49Å; F678-L746 HydrophobicContact CE1-CB 3.92Å; F678-L746 HydrophobicContact CE1-CD1 4.01Å; F678-L746 HydrophobicContact CE2-CB 4.25Å; F678-L746 HydrophobicContact CG-CD1 4.16Å; F678-L746 HydrophobicContact CZ-CB 3.67Å; F678-L746 HydrophobicContact CZ-CD1 4.33Å; N742-L746 VanDerWaalsContact O-CB 3.22Å; N742-L746 WeakPolarHBondContact O-CB 3.35Å; N742-L746 PolarHBondContact O-N 3.47Å; I743-L746 PolarHBondContact O-N 3.21Å; L746-L749 PolarHBondContact O-N 3.28Å; L746-R750 HydrophobicContact CD1-CG 4.15Å; L746-R750 HydrophobicContact CG-CG 4.36Å; L746-R750 WeakPolarHBondContact O-CB 3.5Å; L746-R750 WeakPolarHBondContact O-CG 3.38Å; L746-R750 PolarHBondContact O-N 3.07Å; L746-F758 HydrophobicContact CD2-CD2 3.82Å; L746-F758 HydrophobicContact CD2-CE2 3.65Å; L746-F758 HydrophobicContact CG-CD2 4.33Å; L746-F758 HydrophobicContact CG-CE2 4.16Å
747	N	97.9	Very high	95.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.8	-40.3	178.4	-77.4	-10.7	0	0	0	112.3	S267 Q268 I743 S744 Q745 R750 S751 T757 F758	S267-N747 PolarHBondContact O-ND2 2.97Å; Q268-N747 HydrophobicContact CB-CB 4.09Å; Q268-N747 HydrophobicContact CG-CB 4.32Å; I743-N747 VanDerWaalsContact O-CB 3.25Å; I743-N747 WeakPolarHBondContact O-CB 3.48Å; I743-N747 PolarHBondContact O-N 2.82Å; S744-N747 PolarHBondContact O-N 3.45Å; Q745-N747 PolarHBondContact O-N 3.4Å; N747-R750 PolarHBondContact O-N 2.93Å; N747-S751 WeakPolarHBondContact O-CB 3.5Å; N747-S751 PolarHBondContact O-N 2.76Å; N747-T757 HydrophobicContact CB-CG2 3.94Å; N747-F758 PolarHBondContact ND2-O 3.09Å; N747-F758 PolarHBondContact OD1-N 2.89Å
748	Q	96	Very high	95.9	Very high	17 Å²	17	12.8 Å²	12.8	8%	0.079	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-45.7	175.3	-74.1	178.3	83.5	0	0	111.1	S266 Q268 F421 I422 S744 Q745 H752	S266-Q748 PolarHBondContact O-NE2 3.07Å; Q268-Q748 HydrophobicContact CG-CG 4.32Å; F421-Q748 HydrophobicContact CB-CB 4.45Å; F421-Q748 HydrophobicContact CD1-CB 3.66Å; F421-Q748 HydrophobicContact CD1-CG 4.5Å; F421-Q748 HydrophobicContact CE1-CB 4Å; F421-Q748 HydrophobicContact CG-CB 4.05Å; I422-Q748 PolarHBondContact O-NE2 3.3Å; S744-Q748 VanDerWaalsContact O-CG 3.31Å; S744-Q748 WeakPolarHBondContact O-CG 3.23Å; S744-Q748 PolarHBondContact O-N 2.6Å; S744-Q748 PolarHBondContact O-NE2 3.38Å; S744-Q748 PolarHBondContact OG-NE2 3.41Å; Q745-Q748 PolarHBondContact O-N 2.92Å; Q748-H752 WeakPolarHBondContact O-CB 3.49Å; Q748-H752 PolarHBondContact O-N 2.79Å
749	L	95.3	Very high	95.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-49.6	174.8	179	65.3	0	0	0	111.9	L368 I381 L418 F421 F678 T681 V682 Q745 L746 S751 H752 R753	L368-L749 HydrophobicContact CD1-CD1 4.13Å; I381-L749 HydrophobicContact CD1-CB 3.94Å; I381-L749 HydrophobicContact CD1-CD1 4.27Å; I381-L749 HydrophobicContact CD1-CD2 3.76Å; I381-L749 HydrophobicContact CD1-CG 4.18Å; L418-L749 HydrophobicContact CD2-CD1 4Å; F421-L749 HydrophobicContact CE2-CB 4.21Å; F421-L749 HydrophobicContact CE2-CD1 4.2Å; F421-L749 HydrophobicContact CZ-CB 4.29Å; F421-L749 HydrophobicContact CZ-CD1 4.22Å; F678-L749 HydrophobicContact CD1-CD2 3.98Å; T681-L749 HydrophobicContact CG2-CB 4.48Å; T681-L749 HydrophobicContact CG2-CD2 3.5Å; T681-L749 HydrophobicContact CG2-CG 3.63Å; V682-L749 HydrophobicContact CG2-CD2 3.87Å; Q745-L749 PolarHBondContact O-N 3.1Å; L746-L749 PolarHBondContact O-N 3.28Å; L749-S751 PolarHBondContact O-N 2.93Å; L749-H752 WeakPolarHBondContact O-CB 3.14Å; L749-H752 PolarHBondContact O-N 2.8Å; L749-R753 WeakPolarHBondContact O-CG 3.39Å; L749-R753 PolarHBondContact O-N 3.08Å; L749-R753 VanDerWaalsContact O-N 3.13Å
750	R	95.5	Very high	95.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.008	7%	0.068	C	C	.	.	H	α-helix	trans	-63.4	-42	-178.4	-72.1	179.4	73.6	77.5	1.4	112.2	T681 L746 N747 R753 G754 L755 N756 F758	T681-R750 HydrophobicContact CG2-CB 4.44Å; T681-R750 HydrophobicContact CG2-CG 3.44Å; T681-R750 VanDerWaalsContact CG2-CG 3.44Å; T681-R750 PolarHBondContact OG1-NH1 3.28Å; L746-R750 HydrophobicContact CD1-CG 4.15Å; L746-R750 HydrophobicContact CG-CG 4.36Å; L746-R750 WeakPolarHBondContact O-CB 3.5Å; L746-R750 WeakPolarHBondContact O-CG 3.38Å; L746-R750 PolarHBondContact O-N 3.07Å; N747-R750 PolarHBondContact O-N 2.93Å; R750-R753 CarbonylContact O-C 3.55Å; R750-R753 WeakPolarHBondContact O-CA 3.38Å; R750-R753 PolarHBondContact O-N 2.84Å; R750-R753 VanDerWaalsContact O-N 3.13Å; R750-G754 PolarHBondContact O-N 3.13Å; R750-G754 VanDerWaalsContact O-N 3.09Å; R750-L755 HydrophobicContact CB-CB 4.1Å; R750-L755 HydrophobicContact CG-CB 4.48Å; R750-L755 PolarHBondContact O-N 3.41Å; R750-N756 PolarHBondContact NE-O 3.4Å; R750-N756 PolarHBondContact NH2-O 3.31Å; R750-N756 PolarHBondContact NH2-OD1 3.44Å; R750-F758 VanDerWaalsContact NE-CE2 3.34Å
751	S	93.3	Very high	95.8	Very high	50 Å²	50	12.7 Å²	12.7	35%	0.35	7%	0.068	S	C	.	.	H	α-helix	trans	-61.8	-44.7	175.8	-177	0	0	0	0	111.4	N747 L749 R753 G754	N747-S751 WeakPolarHBondContact O-CB 3.5Å; N747-S751 PolarHBondContact O-N 2.76Å; L749-S751 PolarHBondContact O-N 2.93Å; S751-R753 PolarHBondContact O-N 3.41Å; S751-G754 PolarHBondContact O-N 3.13Å
752	H	91.5	Very high	95.8	Very high	86 Å²	86	12.7 Å²	12.7	40%	0.398	7%	0.068	S	C	.	.	H	α-helix	trans	-57.4	-33.9	174.1	179.3	76.9	0	0	0	112.5	P419 F421 Q748 L749	P419-H752 VanDerWaalsContact CD-CE1 3.5Å; P419-H752 WeakPolarHBondContact CD-CE1 3.41Å; F421-H752 HydrophobicContact CE1-CB 4.47Å; F421-H752 HydrophobicContact CZ-CB 4.48Å; Q748-H752 WeakPolarHBondContact O-CB 3.49Å; Q748-H752 PolarHBondContact O-N 2.79Å; L749-H752 WeakPolarHBondContact O-CB 3.14Å; L749-H752 PolarHBondContact O-N 2.8Å
753	R	91.9	Very high	95.9	Very high	39 Å²	39	13.4 Å²	13.4	15%	0.147	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.2	176.5	-64	-157.9	71.5	156.1	17.6	115	E366 L368 T681 V682 L749 R750 S751 L755	E366-R753 PolarHBondContact O-NH2 2.95Å; L368-R753 HydrophobicContact CD1-CG 4.03Å; T681-R753 WeakPolarHBondContact O-CD 3.35Å; T681-R753 PolarHBondContact O-NH1 3.09Å; V682-R753 VanDerWaalsContact C-NH1 3.32Å; V682-R753 PolarHBondContact O-NH1 3.27Å; L749-R753 WeakPolarHBondContact O-CG 3.39Å; L749-R753 PolarHBondContact O-N 3.08Å; L749-R753 VanDerWaalsContact O-N 3.13Å; R750-R753 CarbonylContact O-C 3.55Å; R750-R753 WeakPolarHBondContact O-CA 3.38Å; R750-R753 PolarHBondContact O-N 2.84Å; R750-R753 VanDerWaalsContact O-N 3.13Å; S751-R753 PolarHBondContact O-N 3.41Å; R753-L755 VanDerWaalsContact C-N 3.29Å; R753-L755 HydrophobicContact CB-CD1 4.02Å; R753-L755 HydrophobicContact CB-CG 3.94Å; R753-L755 PolarHBondContact O-N 3.2Å
754	G	89.8	Confident	95.9	Very high	12 Å²	12	13.4 Å²	13.4	12%	0.124	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	22.2	-174.8	0	0	0	0	0	114.9	N326 I328 R750 S751	N326-G754 CarbonylContact O-C 3.58Å; N326-G754 VanDerWaalsContact O-O 3.11Å; I328-G754 VanDerWaalsContact CD1-CA 3.47Å; R750-G754 PolarHBondContact O-N 3.13Å; R750-G754 VanDerWaalsContact O-N 3.09Å; S751-G754 PolarHBondContact O-N 3.13Å
755	L	92.4	Very high	95.9	Very high	23 Å²	23	13.4 Å²	13.4	12%	0.12	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-92.4	162	176.3	-58.8	175.7	0	0	0	110.4	P365 T681 R750 R753	P365-L755 HydrophobicContact CG-CD2 4.18Å; T681-L755 HydrophobicContact CG2-CD1 4.13Å; R750-L755 HydrophobicContact CB-CB 4.1Å; R750-L755 HydrophobicContact CG-CB 4.48Å; R750-L755 PolarHBondContact O-N 3.41Å; R753-L755 VanDerWaalsContact C-N 3.29Å; R753-L755 HydrophobicContact CB-CD1 4.02Å; R753-L755 HydrophobicContact CB-CG 3.94Å; R753-L755 PolarHBondContact O-N 3.2Å
756	N	92.2	Very high	95.9	Very high	25 Å²	25	13.8 Å²	13.8	13%	0.134	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-63.1	142.2	176.3	63.6	-61.8	0	0	0	111.6	L694 V697 R750	L694-N756 PolarHBondContact O-ND2 3.47Å; V697-N756 PolarHBondContact O-ND2 2.82Å; R750-N756 PolarHBondContact NE-O 3.4Å; R750-N756 PolarHBondContact NH2-O 3.31Å; R750-N756 PolarHBondContact NH2-OD1 3.44Å
757	T	96	Very high	95.8	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.031	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-97.8	168.3	172.7	49.1	0	0	0	0	111.2	S324 N747	S324-T757 PolarHBondContact O-OG1 2.88Å; S324-T757 WeakPolarHBondContact OG-CG2 3.14Å; S324-T757 PolarHBondContact OG-OG1 2.85Å; N747-T757 HydrophobicContact CB-CG2 3.94Å
758	F	98.1	Very high	95.6	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.013	10%	0.098	C	C	.	.			trans	-115	132.5	-175.7	-54.2	-67.5	0	0	0	111.6	L694 V697 F700 L746 N747 R750	L694-F758 HydrophobicContact CD1-CZ 4.5Å; L694-F758 HydrophobicContact CD2-CE1 4.21Å; L694-F758 HydrophobicContact CD2-CZ 3.91Å; V697-F758 HydrophobicContact CB-CE1 4.13Å; V697-F758 HydrophobicContact CG1-CD1 4.12Å; V697-F758 HydrophobicContact CG1-CE1 3.93Å; V697-F758 WeakPolarHBondContact O-CE1 3.43Å; F700-F758 HydrophobicContact CD2-CB 3.87Å; F700-F758 HydrophobicContact CD2-CG 4.35Å; F700-F758 HydrophobicContact CE2-CB 3.7Å; F700-F758 HydrophobicContact CE2-CD1 4.34Å; F700-F758 AromaticContact CE2-CD2 3.87Å; F700-F758 HydrophobicContact CE2-CD2 3.87Å; F700-F758 AromaticContact CE2-CG 3.71Å; F700-F758 HydrophobicContact CE2-CG 3.71Å; L746-F758 HydrophobicContact CD2-CD2 3.82Å; L746-F758 HydrophobicContact CD2-CE2 3.65Å; L746-F758 HydrophobicContact CG-CD2 4.33Å; L746-F758 HydrophobicContact CG-CE2 4.16Å; N747-F758 PolarHBondContact ND2-O 3.09Å; N747-F758 PolarHBondContact OD1-N 2.89Å; R750-F758 VanDerWaalsContact NE-CE2 3.34Å
759	S	97.6	Very high	95.5	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	152.3	169.2	58.4	0	0	0	0	111.2	T698 G699 F700 R761 E781	T698-S759 PolarHBondContact O-N 2.75Å; T698-S759 PolarHBondContact O-OG 3.08Å; G699-S759 CarbonylContact C-O 3.47Å; G699-S759 WeakPolarHBondContact CA-O 3.45Å; F700-S759 PolarHBondContact N-O 3.09Å; S759-R761 WeakPolarHBondContact OG-CD 3.46Å; S759-E781 WeakPolarHBondContact CB-OE1 3.25Å
760	F	98.6	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.7	170.4	-170.4	-152.1	0	0	0	110.7	Q269 F700 I736 M739 F740 I743 P762 E781	Q269-F760 VanDerWaalsContact OE1-CB 3.31Å; F700-F760 HydrophobicContact CB-CD2 4.02Å; F700-F760 HydrophobicContact CB-CE2 4.47Å; I736-F760 HydrophobicContact CB-CE1 4.32Å; I736-F760 HydrophobicContact CB-CZ 4.39Å; I736-F760 HydrophobicContact CD1-CE1 4.29Å; I736-F760 HydrophobicContact CD1-CE2 4.47Å; I736-F760 HydrophobicContact CD1-CZ 3.63Å; I736-F760 HydrophobicContact CG2-CE1 3.55Å; I736-F760 HydrophobicContact CG2-CZ 4.03Å; I736-F760 WeakPolarHBondContact O-CE1 3.32Å; M739-F760 HydrophobicContact CB-CE1 4.32Å; M739-F760 HydrophobicContact CB-CE2 4.25Å; M739-F760 HydrophobicContact CB-CZ 3.78Å; M739-F760 HydrophobicContact CE-CE2 3.79Å; M739-F760 HydrophobicContact CE-CZ 4.3Å; M739-F760 HydrophobicContact SD-CE2 4.31Å; M739-F760 HydrophobicContact SD-CZ 4.26Å; F740-F760 HydrophobicContact CB-CD1 4.19Å; F740-F760 HydrophobicContact CB-CE1 4.13Å; I743-F760 HydrophobicContact CD1-CB 4.09Å; I743-F760 HydrophobicContact CD1-CD1 4.45Å; I743-F760 HydrophobicContact CD1-CD2 3.8Å; I743-F760 HydrophobicContact CD1-CE2 4.33Å; I743-F760 HydrophobicContact CD1-CG 3.88Å; F760-P762 HydrophobicContact CE2-CB 4.28Å; F760-P762 HydrophobicContact CE2-CG 4.48Å; F760-P762 HydrophobicContact CZ-CB 4.47Å; F760-P762 HydrophobicContact CZ-CG 4.48Å; F760-E781 PolarHBondContact O-N 2.92Å
761	R	98.7	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.			trans	-132.9	62.5	-166.6	-58.1	-179	47	-158.5	-4.4	112.2	T491 E614 L647 F700 D701 S759 S782 N784	T491-R761 PolarHBondContact O-NH2 2.66Å; E614-R761 VanDerWaalsContact CD-NH1 3.31Å; E614-R761 IonicContact OE1-NH1 3.07Å; E614-R761 PolarHBondContact OE1-NH1 3.15Å; E614-R761 IonicContact OE2-CZ 3.98Å; E614-R761 VanDerWaalsContact OE2-CZ 3.3Å; E614-R761 IonicContact OE2-NH1 2.94Å; E614-R761 PolarHBondContact OE2-NH1 2.99Å; E614-R761 IonicContact OE2-NH2 2.91Å; E614-R761 PolarHBondContact OE2-NH2 3.09Å; L647-R761 HydrophobicContact CD2-CB 3.99Å; L647-R761 HydrophobicContact CD2-CG 4.41Å; F700-R761 PolarHBondContact O-N 3.15Å; D701-R761 VanDerWaalsContact CG-O 3.26Å; S759-R761 WeakPolarHBondContact OG-CD 3.46Å; R761-S782 WeakPolarHBondContact CA-O 3.31Å; R761-S782 WeakPolarHBondContact CD-OG 3.49Å; R761-S782 VanDerWaalsContact CG-OG 3.23Å; R761-S782 WeakPolarHBondContact CG-OG 3.41Å; R761-S782 PolarHBondContact NE-OG 2.91Å; R761-S782 VanDerWaalsContact NE-OG 3.12Å; R761-N784 PolarHBondContact O-ND2 2.91Å; R761-N784 VanDerWaalsContact O-ND2 3.15Å
762	P	98.7	Very high	95.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.			trans	-71.8	156.6	-174	32.2	-36.7	0	0	0	113.1	D701 I736 F760 S764 C776 A780 I783 N784	D701-P762 VanDerWaalsContact OD1-CA 3.24Å; D701-P762 WeakPolarHBondContact OD1-CA 3.27Å; I736-P762 HydrophobicContact CD1-CB 3.85Å; I736-P762 HydrophobicContact CD1-CG 4.27Å; F760-P762 HydrophobicContact CE2-CB 4.28Å; F760-P762 HydrophobicContact CE2-CG 4.48Å; F760-P762 HydrophobicContact CZ-CB 4.47Å; F760-P762 HydrophobicContact CZ-CG 4.48Å; P762-S764 PolarHBondContact O-N 2.7Å; P762-C776 VanDerWaalsContact CG-SG 3.57Å; P762-A780 HydrophobicContact CG-CB 3.96Å; P762-I783 WeakPolarHBondContact O-CA 3.27Å; P762-N784 PolarHBondContact O-N 2.9Å
763	H	98.7	Very high	96.2	Very high	14 Å²	14	17.1 Å²	17.1	7%	0.065	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	127.5	158.6	-70.2	50.2	0	0	0	109.5	H492 H494 D701 S702 Y732 N784 H785	H492-H763 AromaticContact CD2-CE1 3.7Å; H492-H763 AromaticContact CE1-CE1 3.63Å; H492-H763 AromaticContact CE1-NE2 3.27Å; H492-H763 PolarHBondContact CE1-NE2 2.8Å; H492-H763 VanDerWaalsContact CE1-NE2 3.27Å; H492-H763 AromaticContact NE2-CE1 2.87Å; H492-H763 PolarHBondContact NE2-CE1 2.61Å; H492-H763 AromaticContact NE2-ND1 3.93Å; H492-H763 AromaticContact NE2-NE2 2.93Å; H492-H763 PolarHBondContact NE2-NE2 3.24Å; H494-H763 AromaticContact CE1-CE1 3.69Å; H494-H763 AromaticContact CE1-NE2 3.72Å; H494-H763 AromaticContact NE2-CE1 3.81Å; H494-H763 AromaticContact NE2-NE2 3.45Å; H494-H763 PolarHBondContact NE2-NE2 3.13Å; D701-H763 IonicContact OD1-CE1 3.49Å; D701-H763 IonicContact OD1-CG 3.37Å; D701-H763 PolarHBondContact OD1-N 3.4Å; D701-H763 IonicContact OD1-ND1 3.47Å; D701-H763 PolarHBondContact OD1-ND1 3.23Å; D701-H763 IonicContact OD2-CE1 3.98Å; D701-H763 PolarHBondContact OD2-CE1 3.32Å; D701-H763 VanDerWaalsContact OD2-CE1 3.31Å; D701-H763 IonicContact OD2-ND1 3.14Å; D701-H763 PolarHBondContact OD2-ND1 2.75Å; S702-H763 PolarHBondContact O-N 3.05Å; Y732-H763 WeakPolarHBondContact CE2-O 3.26Å; Y732-H763 PolarHBondContact OH-O 3.48Å; H763-N784 PolarHBondContact ND1-ND2 3.11Å; H763-H785 AromaticContact CD2-CD2 3.6Å; H763-H785 AromaticContact CD2-NE2 3.25Å; H763-H785 PolarHBondContact CD2-NE2 3.09Å; H763-H785 VanDerWaalsContact CD2-NE2 3.25Å; H763-H785 AromaticContact NE2-NE2 3.69Å
764	S	98.4	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	133.9	-178.3	-158.4	0	0	0	0	112.9	E706 Y732 P762 E766 C776 N784 G786	E706-S764 WeakPolarHBondContact OE1-CA 3.19Å; Y732-S764 WeakPolarHBondContact OH-CB 3.38Å; Y732-S764 PolarHBondContact OH-OG 3.23Å; Y732-S764 VanDerWaalsContact OH-OG 3.07Å; P762-S764 PolarHBondContact O-N 2.7Å; S764-E766 VanDerWaalsContact C-N 3.27Å; S764-E766 PolarHBondContact O-N 2.77Å; S764-C776 PolarHBondContact OG-SG 3.16Å; S764-C776 VanDerWaalsContact OG-SG 3.33Å; S764-N784 PolarHBondContact N-O 2.84Å; S764-N784 VanDerWaalsContact N-O 3.08Å; S764-N784 VanDerWaalsContact O-O 3.05Å; S764-G786 WeakPolarHBondContact O-CA 3.5Å; S764-G786 PolarHBondContact O-N 2.85Å
765	G	98	Very high	96.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	70.6	20.6	175.7	0	0	0	0	0	113.9	E706 G786 L787 L788	E706-G765 VanDerWaalsContact CD-N 3.33Å; E706-G765 PolarHBondContact OE1-N 3.21Å; E706-G765 PolarHBondContact OE2-N 3.2Å; G765-G786 CarbonylContact O-C 3.55Å; G765-L787 CarbonylContact O-C 3.55Å; G765-L787 WeakPolarHBondContact O-CA 3.48Å; G765-L787 WeakPolarHBondContact O-CB 3.38Å; G765-L787 PolarHBondContact O-N 2.76Å; G765-L788 PolarHBondContact O-N 3.22Å
766	E	98	Very high	97.2	Very high	11 Å²	11	13.6 Å²	13.6	5%	0.051	8%	0.083	C	C	.	.	S	Bend	trans	-64.7	-50.4	165.6	-172.8	176.2	-153.8	0	0	109.8	E706 S764 H785 L787 F817	E706-E766 WeakPolarHBondContact OE2-CB 3.4Å; E706-E766 PolarHBondContact OE2-N 3.38Å; S764-E766 VanDerWaalsContact C-N 3.27Å; S764-E766 PolarHBondContact O-N 2.77Å; E766-H785 HydrophobicContact CB-CB 3.61Å; E766-H785 VanDerWaalsContact CD-CE1 3.42Å; E766-H785 VanDerWaalsContact CD-ND1 3.27Å; E766-H785 HydrophobicContact CG-CB 4.01Å; E766-H785 IonicContact OE1-CE1 3.33Å; E766-H785 PolarHBondContact OE1-CE1 2.87Å; E766-H785 IonicContact OE1-ND1 3.99Å; E766-H785 PolarHBondContact OE1-ND1 3.18Å; E766-H785 VanDerWaalsContact OE1-ND1 3.09Å; E766-H785 IonicContact OE2-CE1 2.78Å; E766-H785 IonicContact OE2-ND1 3.55Å; E766-L787 HydrophobicContact CG-CD1 4.24Å; E766-F817 VanDerWaalsContact CD-CD2 3.44Å; E766-F817 HydrophobicContact CG-CD2 3.57Å; E766-F817 HydrophobicContact CG-CE2 3.78Å; E766-F817 HydrophobicContact CG-CG 4.44Å; E766-F817 VanDerWaalsContact OE1-CD2 3.25Å; E766-F817 WeakPolarHBondContact OE1-CD2 3.21Å; E766-F817 WeakPolarHBondContact OE1-CE2 3.15Å; E766-F817 WeakPolarHBondContact OE2-CE2 3.32Å
767	A	96.2	Very high	97.5	Very high	12 Å²	12	12.4 Å²	12.4	10%	0.099	8%	0.076	C	C	.	.	S	Bend	trans	-145.8	-169.8	177.4	0	0	0	0	0	110.3	E706 L788 F817	E706-A767 WeakPolarHBondContact CG-O 3.44Å; E706-A767 PolarHBondContact OE2-N 3.21Å; A767-L788 WeakPolarHBondContact O-CD1 3.2Å; A767-F817 HydrophobicContact CB-CD1 4Å; A767-F817 HydrophobicContact CB-CE1 3.89Å; A767-F817 HydrophobicContact CB-CG 4.47Å; A767-F817 HydrophobicContact CB-CZ 4.24Å
768	G	93.2	Very high	97.6	Very high	40 Å²	40	12.2 Å²	12.2	41%	0.412	8%	0.075	S	C	.	.	S	Bend	trans	77	-144.1	173.6	0	0	0	0	0	115.1	E706 L788	E706-G768 WeakPolarHBondContact O-CA 3.46Å; E706-G768 PolarHBondContact O-N 3.43Å; G768-L788 WeakPolarHBondContact O-CD1 3.21Å
769	N	94.7	Very high	97.6	Very high	72 Å²	72	12 Å²	12	39%	0.385	7%	0.074	S	C	.	.			trans	-89.1	136.1	-172	-167.1	-24.2	0	0	0	111.8	N771 H772	N769-N771 PolarHBondContact O-N 3.3Å; N769-N771 VanDerWaalsContact O-N 3.12Å; N769-N771 PolarHBondContact OD1-N 2.84Å; N769-H772 WeakPolarHBondContact O-CB 3.34Å; N769-H772 VanDerWaalsContact O-CG 3.26Å; N769-H772 PolarHBondContact O-N 2.84Å
770	I	95.9	Very high	97.7	Very high	54 Å²	54	11.9 Å²	11.9	28%	0.277	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27	174.8	-64.5	172.3	0	0	0	111.8	V440 H772 L773 V774 K791 A792 L795	V440-I770 HydrophobicContact CG1-CG2 4.43Å; I770-H772 PolarHBondContact O-N 3.22Å; I770-H772 VanDerWaalsContact O-N 3.13Å; I770-L773 WeakPolarHBondContact O-CB 3.15Å; I770-L773 PolarHBondContact O-N 2.7Å; I770-V774 PolarHBondContact O-N 2.89Å; I770-K791 HydrophobicContact CD1-CB 4.28Å; I770-A792 HydrophobicContact CG2-CB 3.8Å; I770-L795 HydrophobicContact CG2-CD1 3.74Å
771	N	96.2	Very high	97.7	Very high	40 Å²	40	13.2 Å²	13.2	21%	0.214	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-18.6	176.6	-72.3	-14.5	0	0	0	114	F433 N769 L773 V774 T775	F433-N771 HydrophobicContact CZ-CB 4.1Å; N769-N771 PolarHBondContact O-N 3.3Å; N769-N771 VanDerWaalsContact O-N 3.12Å; N769-N771 PolarHBondContact OD1-N 2.84Å; N771-L773 VanDerWaalsContact C-N 3.33Å; N771-V774 WeakPolarHBondContact O-CB 3.04Å; N771-V774 PolarHBondContact O-N 3.37Å; N771-T775 PolarHBondContact O-N 3.14Å; N771-T775 PolarHBondContact O-OG1 2.63Å
772	H	98.1	Very high	97.7	Very high	6 Å²	6	13.4 Å²	13.4	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-43.7	172	-61	-179.1	0	0	0	110.7	E706 D710 Y732 N769 I770 V774 T775 C776	E706-H772 VanDerWaalsContact CG-ND1 3.31Å; E706-H772 WeakPolarHBondContact CG-ND1 3.44Å; E706-H772 IonicContact OE1-CE1 2.85Å; E706-H772 IonicContact OE1-CG 3.62Å; E706-H772 IonicContact OE1-ND1 3.7Å; E706-H772 PolarHBondContact OE1-ND1 3.35Å; D710-H772 IonicContact OD2-NE2 2.73Å; D710-H772 PolarHBondContact OD2-NE2 2.71Å; Y732-H772 WeakPolarHBondContact CB-NE2 3.4Å; Y732-H772 HydrophobicContact CD1-CB 3.61Å; Y732-H772 AromaticContact CD1-CD2 3.73Å; Y732-H772 AromaticContact CD1-CG 3.56Å; Y732-H772 AromaticContact CD2-ND1 3.95Å; Y732-H772 HydrophobicContact CE1-CB 3.58Å; Y732-H772 HydrophobicContact CG-CB 4.16Å; Y732-H772 AromaticContact CG-CD2 3.71Å; Y732-H772 AromaticContact CG-CG 3.63Å; Y732-H772 AromaticContact CG-ND1 3.82Å; Y732-H772 AromaticContact CG-NE2 3.99Å; N769-H772 WeakPolarHBondContact O-CB 3.34Å; N769-H772 VanDerWaalsContact O-CG 3.26Å; N769-H772 PolarHBondContact O-N 2.84Å; I770-H772 PolarHBondContact O-N 3.22Å; I770-H772 VanDerWaalsContact O-N 3.13Å; H772-V774 VanDerWaalsContact C-N 3.33Å; H772-V774 PolarHBondContact O-N 3.19Å; H772-T775 WeakPolarHBondContact O-CB 3.4Å; H772-T775 PolarHBondContact O-N 2.89Å; H772-C776 PolarHBondContact O-N 3.14Å
773	L	98.5	Very high	97.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-32.2	175.7	-68.2	167	0	0	0	112.4	I770 N771 T775 F777 I783 L788 L789 L795 Y799	I770-L773 WeakPolarHBondContact O-CB 3.15Å; I770-L773 PolarHBondContact O-N 2.7Å; N771-L773 VanDerWaalsContact C-N 3.33Å; L773-T775 VanDerWaalsContact C-N 3.34Å; L773-F777 VanDerWaalsContact O-CB 3.27Å; L773-F777 WeakPolarHBondContact O-CB 3.38Å; L773-F777 PolarHBondContact O-N 2.88Å; L773-I783 HydrophobicContact CD2-CD1 3.51Å; L773-L788 HydrophobicContact CD1-CB 3.78Å; L773-L789 HydrophobicContact CD1-CD2 3.89Å; L773-L789 HydrophobicContact CD1-CG 3.89Å; L773-L789 HydrophobicContact CD2-CD2 4.27Å; L773-L789 HydrophobicContact CD2-CG 4.19Å; L773-L795 HydrophobicContact CB-CD1 3.78Å; L773-Y799 PolarHBondContact O-OH 2.98Å
774	V	98.4	Very high	97.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-44.4	171.8	176.3	0	0	0	0	110.6	F433 I436 V440 I770 N771 H772 F777 L778 L795	F433-V774 HydrophobicContact CD2-CB 4.5Å; F433-V774 HydrophobicContact CD2-CG1 3.72Å; F433-V774 HydrophobicContact CE2-CB 3.99Å; F433-V774 HydrophobicContact CE2-CG1 3.65Å; F433-V774 HydrophobicContact CG-CG1 4.48Å; F433-V774 HydrophobicContact CZ-CG1 4.38Å; I436-V774 HydrophobicContact CB-CG1 3.8Å; I436-V774 HydrophobicContact CG2-CB 4.49Å; I436-V774 HydrophobicContact CG2-CG1 3.65Å; I436-V774 HydrophobicContact CG2-CG2 4.44Å; V440-V774 HydrophobicContact CG2-CG2 4.23Å; I770-V774 PolarHBondContact O-N 2.89Å; N771-V774 WeakPolarHBondContact O-CB 3.04Å; N771-V774 PolarHBondContact O-N 3.37Å; H772-V774 VanDerWaalsContact C-N 3.33Å; H772-V774 PolarHBondContact O-N 3.19Å; V774-F777 PolarHBondContact O-N 2.81Å; V774-L778 PolarHBondContact O-N 3.36Å; V774-L795 HydrophobicContact CG2-CD1 3.94Å; V774-L795 HydrophobicContact CG2-CD2 4.2Å
775	T	98.3	Very high	97.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	8%	0.078	C	C	.	.	H	α-helix	trans	-62.7	-49.3	178.1	-50.2	0	0	0	0	110.7	F429 F433 I736 N771 H772 L773 F777 L778 L779	F429-T775 HydrophobicContact CE2-CG2 4.47Å; F429-T775 HydrophobicContact CZ-CG2 4.16Å; F433-T775 WeakPolarHBondContact CE2-OG1 3.47Å; I736-T775 HydrophobicContact CB-CG2 3.92Å; I736-T775 HydrophobicContact CG2-CG2 3.67Å; N771-T775 PolarHBondContact O-N 3.14Å; N771-T775 PolarHBondContact O-OG1 2.63Å; H772-T775 WeakPolarHBondContact O-CB 3.4Å; H772-T775 PolarHBondContact O-N 2.89Å; L773-T775 VanDerWaalsContact C-N 3.34Å; T775-F777 VanDerWaalsContact C-N 3.35Å; T775-F777 PolarHBondContact O-N 3.2Å; T775-L778 PolarHBondContact O-N 2.69Å; T775-L778 VanDerWaalsContact O-N 3.15Å; T775-L779 HydrophobicContact CG2-CD1 4.05Å; T775-L779 PolarHBondContact O-N 3.14Å
776	C	98.6	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-68.9	-30.4	-179.3	-70.2	0	0	0	0	113.3	R260 Y732 P762 S764 H772 L778 L779 A780 I783	R260-C776 PolarHBondContact NH1-O 2.95Å; Y732-C776 PolarHBondContact OH-SG 2.94Å; P762-C776 VanDerWaalsContact CG-SG 3.57Å; S764-C776 PolarHBondContact OG-SG 3.16Å; S764-C776 VanDerWaalsContact OG-SG 3.33Å; H772-C776 PolarHBondContact O-N 3.14Å; C776-L778 PolarHBondContact O-N 2.76Å; C776-L779 PolarHBondContact O-N 3.49Å; C776-A780 HydrophobicContact CB-CB 3.93Å; C776-A780 WeakPolarHBondContact O-CB 3.31Å; C776-A780 PolarHBondContact O-N 3.06Å; C776-I783 HydrophobicContact CB-CG2 3.68Å
777	F	98.7	Very high	97.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-35.1	171.4	175.5	-99.1	0	0	0	112.1	A256 R260 I436 L773 V774 T775 L798 Y799 A802 I804	A256-F777 HydrophobicContact CB-CE1 4.15Å; A256-F777 HydrophobicContact CB-CZ 4.33Å; A256-F777 WeakPolarHBondContact O-CE1 3.5Å; R260-F777 HydrophobicContact CB-CE1 3.91Å; R260-F777 HydrophobicContact CB-CE2 4.4Å; R260-F777 HydrophobicContact CB-CZ 3.83Å; R260-F777 VanDerWaalsContact CD-O 3.24Å; R260-F777 WeakPolarHBondContact CD-O 3.29Å; R260-F777 WeakPolarHBondContact CG-O 3.29Å; R260-F777 PolarHBondContact NH1-O 3.11Å; I436-F777 HydrophobicContact CD1-CD1 4.4Å; I436-F777 HydrophobicContact CD1-CE1 4.09Å; I436-F777 HydrophobicContact CG1-CD1 4.47Å; I436-F777 HydrophobicContact CG2-CD1 4.38Å; L773-F777 VanDerWaalsContact O-CB 3.27Å; L773-F777 WeakPolarHBondContact O-CB 3.38Å; L773-F777 PolarHBondContact O-N 2.88Å; V774-F777 PolarHBondContact O-N 2.81Å; T775-F777 VanDerWaalsContact C-N 3.35Å; T775-F777 PolarHBondContact O-N 3.2Å; F777-L798 HydrophobicContact CD2-CB 4.17Å; F777-L798 HydrophobicContact CE1-CD1 4.39Å; F777-L798 HydrophobicContact CE2-CB 3.67Å; F777-L798 HydrophobicContact CE2-CD1 4.4Å; F777-L798 HydrophobicContact CE2-CD2 4.42Å; F777-L798 HydrophobicContact CE2-CG 4.39Å; F777-L798 HydrophobicContact CZ-CB 4.14Å; F777-L798 HydrophobicContact CZ-CD1 4.19Å; F777-L798 HydrophobicContact CZ-CD2 4.08Å; F777-L798 HydrophobicContact CZ-CG 4.38Å; F777-Y799 HydrophobicContact CB-CE2 3.95Å; F777-Y799 HydrophobicContact CD2-CD2 4.12Å; F777-Y799 HydrophobicContact CD2-CE2 4.06Å; F777-Y799 HydrophobicContact CG-CE2 4.48Å; F777-A802 HydrophobicContact CE2-CB 4.4Å; F777-I804 HydrophobicContact CD2-CD1 3.54Å; F777-I804 HydrophobicContact CE2-CD1 3.96Å
778	L	98.5	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-80.5	-44.3	176.2	-67.6	174.3	0	0	0	111.7	L259 Y263 F429 D432 F433 I436 V774 T775 C776	L259-L778 HydrophobicContact CB-CD2 3.88Å; Y263-L778 WeakPolarHBondContact CB-O 3.43Å; Y263-L778 HydrophobicContact CD2-CB 4.12Å; Y263-L778 HydrophobicContact CD2-CD2 4.09Å; Y263-L778 HydrophobicContact CE2-CD2 4.21Å; F429-L778 HydrophobicContact CE2-CD1 4.39Å; D432-L778 HydrophobicContact CB-CD1 4.42Å; F433-L778 HydrophobicContact CB-CD1 4.38Å; I436-L778 HydrophobicContact CG1-CD1 4.33Å; I436-L778 HydrophobicContact CG1-CD2 3.98Å; I436-L778 HydrophobicContact CG1-CG 4.31Å; V774-L778 PolarHBondContact O-N 3.36Å; T775-L778 PolarHBondContact O-N 2.69Å; T775-L778 VanDerWaalsContact O-N 3.15Å; C776-L778 PolarHBondContact O-N 2.76Å
779	L	98.6	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-107.7	-25.2	-160.4	-55.1	-174.4	0	0	0	115.6	Y263 Q269 F429 I736 F737 F740 T775 C776	Y263-L779 HydrophobicContact CD1-CD2 3.57Å; Y263-L779 HydrophobicContact CE1-CD2 4.05Å; Y263-L779 HydrophobicContact CG-CD2 3.86Å; Q269-L779 PolarHBondContact NE2-O 2.88Å; F429-L779 HydrophobicContact CD2-CD1 4.28Å; F429-L779 HydrophobicContact CD2-CD2 4.3Å; F429-L779 HydrophobicContact CE2-CD1 3.73Å; F429-L779 HydrophobicContact CE2-CD2 4.34Å; F429-L779 HydrophobicContact CE2-CG 4.17Å; F429-L779 HydrophobicContact CZ-CD1 4.36Å; I736-L779 HydrophobicContact CG2-CB 4.29Å; I736-L779 HydrophobicContact CG2-CD1 4.09Å; F737-L779 HydrophobicContact CB-CD1 4.34Å; F737-L779 HydrophobicContact CD2-CD1 4.39Å; F740-L779 HydrophobicContact CB-CB 4.11Å; F740-L779 HydrophobicContact CB-CD1 4.08Å; F740-L779 HydrophobicContact CD1-CD1 4.4Å; F740-L779 HydrophobicContact CD1-CD2 3.75Å; F740-L779 HydrophobicContact CD1-CG 4.46Å; F740-L779 HydrophobicContact CD2-CB 3.72Å; F740-L779 HydrophobicContact CD2-CD2 4.11Å; F740-L779 HydrophobicContact CD2-CG 4.41Å; F740-L779 WeakPolarHBondContact CD2-O 3.29Å; F740-L779 HydrophobicContact CE1-CD2 3.82Å; F740-L779 HydrophobicContact CE2-CB 4.26Å; F740-L779 HydrophobicContact CE2-CD2 4.13Å; F740-L779 WeakPolarHBondContact CE2-O 3.27Å; F740-L779 HydrophobicContact CG-CB 3.88Å; F740-L779 HydrophobicContact CG-CD1 4.2Å; F740-L779 HydrophobicContact CG-CD2 3.91Å; F740-L779 HydrophobicContact CG-CG 4.2Å; F740-L779 HydrophobicContact CZ-CD2 4Å; T775-L779 HydrophobicContact CG2-CD1 4.05Å; T775-L779 PolarHBondContact O-N 3.14Å; C776-L779 PolarHBondContact O-N 3.49Å
780	A	98.5	Very high	98.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.			trans	-97	141.9	-172.3	0	0	0	0	0	112.8	R260 P762 C776 I783	R260-A780 VanDerWaalsContact CZ-O 3.3Å; R260-A780 PolarHBondContact NH1-O 2.84Å; R260-A780 PolarHBondContact NH2-O 3.48Å; P762-A780 HydrophobicContact CG-CB 3.96Å; C776-A780 HydrophobicContact CB-CB 3.93Å; C776-A780 WeakPolarHBondContact O-CB 3.31Å; C776-A780 PolarHBondContact O-N 3.06Å; A780-I783 HydrophobicContact CB-CG2 4.33Å
781	E	98.4	Very high	98.3	Very high	28 Å²	28	14.4 Å²	14.4	13%	0.131	7%	0.065	C	C	.	.	S	Bend	trans	-67.1	-47.7	172.6	-178.1	172.2	85.1	0	0	111.1	R260 Q269 S270 S759 F760	R260-E781 PolarHBondContact NH2-O 2.78Å; R260-E781 VanDerWaalsContact NH2-O 3.14Å; Q269-E781 HydrophobicContact CB-CB 4.3Å; Q269-E781 HydrophobicContact CG-CB 4.43Å; Q269-E781 VanDerWaalsContact OE1-CB 3.3Å; Q269-E781 VanDerWaalsContact OE1-N 3.15Å; S270-E781 WeakPolarHBondContact CB-OE2 3.45Å; S270-E781 PolarHBondContact N-OE2 3.16Å; S270-E781 PolarHBondContact OG-OE2 2.92Å; S759-E781 WeakPolarHBondContact CB-OE1 3.25Å; F760-E781 PolarHBondContact O-N 2.92Å
782	S	98.5	Very high	98.4	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.021	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	172.6	174.4	55.5	0	0	0	0	110.3	R761 G805	R761-S782 WeakPolarHBondContact CA-O 3.31Å; R761-S782 WeakPolarHBondContact CD-OG 3.49Å; R761-S782 VanDerWaalsContact CG-OG 3.23Å; R761-S782 WeakPolarHBondContact CG-OG 3.41Å; R761-S782 PolarHBondContact NE-OG 2.91Å; R761-S782 VanDerWaalsContact NE-OG 3.12Å; S782-G805 WeakPolarHBondContact CA-O 3.36Å; S782-G805 VanDerWaalsContact CB-O 3.22Å; S782-G805 WeakPolarHBondContact CB-O 3.42Å
783	I	98.8	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159	177.3	63.4	169.6	0	0	0	111.5	P762 L773 C776 A780 Y799 G805 I806 A807	P762-I783 WeakPolarHBondContact O-CA 3.27Å; L773-I783 HydrophobicContact CD2-CD1 3.51Å; C776-I783 HydrophobicContact CB-CG2 3.68Å; A780-I783 HydrophobicContact CB-CG2 4.33Å; I783-Y799 HydrophobicContact CD1-CD1 4.45Å; I783-Y799 HydrophobicContact CD1-CE1 3.49Å; I783-Y799 VanDerWaalsContact CD1-CE1 3.49Å; I783-Y799 HydrophobicContact CG1-CE1 3.93Å; I783-G805 PolarHBondContact N-O 2.69Å; I783-I806 HydrophobicContact CG1-CG1 4.2Å; I783-I806 HydrophobicContact CG1-CG2 4.25Å; I783-I806 WeakPolarHBondContact O-CA 3.41Å; I783-A807 PolarHBondContact O-N 2.97Å
784	N	98.7	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	148.3	166.2	-45.2	-50.6	0	0	0	109.8	H492 R616 D701 R761 P762 H763 S764 G786 A807	H492-N784 HydrophobicContact CB-CB 4.43Å; R616-N784 PolarHBondContact NH2-ND2 3.49Å; R616-N784 PolarHBondContact NH2-OD1 3.18Å; D701-N784 PolarHBondContact OD2-ND2 3.07Å; D701-N784 VanDerWaalsContact OD2-ND2 3.09Å; R761-N784 PolarHBondContact O-ND2 2.91Å; R761-N784 VanDerWaalsContact O-ND2 3.15Å; P762-N784 PolarHBondContact O-N 2.9Å; H763-N784 PolarHBondContact ND1-ND2 3.11Å; S764-N784 PolarHBondContact N-O 2.84Å; S764-N784 VanDerWaalsContact N-O 3.08Å; S764-N784 VanDerWaalsContact O-O 3.05Å; N784-G786 PolarHBondContact O-N 3.23Å; N784-A807 CarbonylContact C-O 3.47Å; N784-A807 WeakPolarHBondContact CA-O 3.1Å
785	H	98.7	Very high	98.4	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.9	-75.1	-177.1	-51.7	-100	0	0	0	116.4	H492 H763 E766 L787 A807 N813 D840	H492-H785 AromaticContact CE1-NE2 3.35Å; H492-H785 PolarHBondContact CE1-NE2 3Å; H492-H785 VanDerWaalsContact CE1-NE2 3.35Å; H492-H785 AromaticContact ND1-NE2 3.93Å; H763-H785 AromaticContact CD2-CD2 3.6Å; H763-H785 AromaticContact CD2-NE2 3.25Å; H763-H785 PolarHBondContact CD2-NE2 3.09Å; H763-H785 VanDerWaalsContact CD2-NE2 3.25Å; H763-H785 AromaticContact NE2-NE2 3.69Å; E766-H785 HydrophobicContact CB-CB 3.61Å; E766-H785 VanDerWaalsContact CD-CE1 3.42Å; E766-H785 VanDerWaalsContact CD-ND1 3.27Å; E766-H785 HydrophobicContact CG-CB 4.01Å; E766-H785 IonicContact OE1-CE1 3.33Å; E766-H785 PolarHBondContact OE1-CE1 2.87Å; E766-H785 IonicContact OE1-ND1 3.99Å; E766-H785 PolarHBondContact OE1-ND1 3.18Å; E766-H785 VanDerWaalsContact OE1-ND1 3.09Å; E766-H785 IonicContact OE2-CE1 2.78Å; E766-H785 IonicContact OE2-ND1 3.55Å; H785-L787 HydrophobicContact CB-CG 4.41Å; H785-L787 PolarHBondContact O-N 2.72Å; H785-L787 VanDerWaalsContact O-N 3.11Å; H785-A807 PolarHBondContact N-O 2.67Å; H785-N813 PolarHBondContact ND1-ND2 3.02Å; H785-D840 IonicContact CE1-OD2 3.16Å; H785-D840 PolarHBondContact CE1-OD2 2.94Å; H785-D840 IonicContact NE2-OD2 3.67Å
786	G	98.3	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.061	C	C	.	.			trans	61.5	18.5	178.6	0	0	0	0	0	116.4	S764 G765 N784 L788 L789	S764-G786 WeakPolarHBondContact O-CA 3.5Å; S764-G786 PolarHBondContact O-N 2.85Å; G765-G786 CarbonylContact O-C 3.55Å; N784-G786 PolarHBondContact O-N 3.23Å; G786-L788 VanDerWaalsContact C-N 3.3Å; G786-L788 PolarHBondContact O-N 2.56Å; G786-L789 WeakPolarHBondContact O-CB 3.18Å; G786-L789 WeakPolarHBondContact O-CG 3.41Å; G786-L789 PolarHBondContact O-N 2.63Å; G786-L789 VanDerWaalsContact O-N 3.17Å
787	L	98.5	Very high	98.4	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-57.9	-38.3	-174.8	-57.7	-179.5	0	0	0	113.1	G765 E766 H785 L789 R790 M808 N813 L818 P824	G765-L787 CarbonylContact O-C 3.55Å; G765-L787 WeakPolarHBondContact O-CA 3.48Å; G765-L787 WeakPolarHBondContact O-CB 3.38Å; G765-L787 PolarHBondContact O-N 2.76Å; E766-L787 HydrophobicContact CG-CD1 4.24Å; H785-L787 HydrophobicContact CB-CG 4.41Å; H785-L787 PolarHBondContact O-N 2.72Å; H785-L787 VanDerWaalsContact O-N 3.11Å; L787-L789 PolarHBondContact O-N 2.98Å; L787-R790 WeakPolarHBondContact O-CD 3.23Å; L787-R790 VanDerWaalsContact O-CG 3.23Å; L787-R790 WeakPolarHBondContact O-CG 3.49Å; L787-R790 PolarHBondContact O-N 2.96Å; L787-R790 PolarHBondContact O-NH1 3.3Å; L787-M808 HydrophobicContact CD2-CE 3.85Å; L787-N813 HydrophobicContact CD1-CB 3.99Å; L787-L818 HydrophobicContact CD1-CB 4.27Å; L787-L818 HydrophobicContact CD1-CD2 4.36Å; L787-L818 HydrophobicContact CD2-CD2 4.43Å; L787-P824 HydrophobicContact CD2-CG 4.26Å
788	L	98.2	Very high	98.4	Very high	23 Å²	23	13.4 Å²	13.4	12%	0.12	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-69.4	-11.8	-177.4	-72.4	-177	0	0	0	113.8	G765 A767 G768 L773 G786 R790 K791	G765-L788 PolarHBondContact O-N 3.22Å; A767-L788 WeakPolarHBondContact O-CD1 3.2Å; G768-L788 WeakPolarHBondContact O-CD1 3.21Å; L773-L788 HydrophobicContact CD1-CB 3.78Å; G786-L788 VanDerWaalsContact C-N 3.3Å; G786-L788 PolarHBondContact O-N 2.56Å; L788-R790 PolarHBondContact O-N 3.48Å; L788-R790 VanDerWaalsContact O-N 3.14Å; L788-K791 WeakPolarHBondContact O-CB 3.48Å; L788-K791 PolarHBondContact O-N 2.78Å
789	L	98.6	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-56.4	-30.5	170.8	-71	169	0	0	0	111.5	L773 G786 L787 K791 A792 L795 Q796 Y799 I806 F828	L773-L789 HydrophobicContact CD1-CD2 3.89Å; L773-L789 HydrophobicContact CD1-CG 3.89Å; L773-L789 HydrophobicContact CD2-CD2 4.27Å; L773-L789 HydrophobicContact CD2-CG 4.19Å; G786-L789 WeakPolarHBondContact O-CB 3.18Å; G786-L789 WeakPolarHBondContact O-CG 3.41Å; G786-L789 PolarHBondContact O-N 2.63Å; G786-L789 VanDerWaalsContact O-N 3.17Å; L787-L789 PolarHBondContact O-N 2.98Å; L789-K791 PolarHBondContact O-N 3.28Å; L789-A792 CarbonylContact O-C 3.48Å; L789-A792 PolarHBondContact O-N 3.46Å; L789-A792 VanDerWaalsContact O-N 3.08Å; L789-L795 HydrophobicContact CD2-CB 3.76Å; L789-Q796 HydrophobicContact CB-CB 4.25Å; L789-Y799 HydrophobicContact CD1-CD1 3.86Å; L789-Y799 HydrophobicContact CD1-CE1 4.23Å; L789-Y799 HydrophobicContact CD1-CG 4.08Å; L789-Y799 HydrophobicContact CD2-CD1 4.46Å; L789-Y799 HydrophobicContact CD2-CD2 3.81Å; L789-Y799 HydrophobicContact CD2-CE2 3.99Å; L789-Y799 HydrophobicContact CD2-CG 4.05Å; L789-I806 HydrophobicContact CD1-CD1 3.52Å; L789-F828 HydrophobicContact CB-CE1 4.47Å; L789-F828 HydrophobicContact CB-CE2 4.27Å; L789-F828 HydrophobicContact CB-CZ 3.75Å; L789-F828 HydrophobicContact CD1-CE2 4.33Å
790	R	97.9	Very high	98.4	Very high	76 Å²	76	13.7 Å²	13.7	29%	0.287	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-60.9	-15.7	174.1	83.9	-169.2	-177.1	-78.3	5.8	114.2	L787 L788 P824 F828	L787-R790 WeakPolarHBondContact O-CD 3.23Å; L787-R790 VanDerWaalsContact O-CG 3.23Å; L787-R790 WeakPolarHBondContact O-CG 3.49Å; L787-R790 PolarHBondContact O-N 2.96Å; L787-R790 PolarHBondContact O-NH1 3.3Å; L788-R790 PolarHBondContact O-N 3.48Å; L788-R790 VanDerWaalsContact O-N 3.14Å; R790-P824 HydrophobicContact CB-CB 3.95Å; R790-P824 HydrophobicContact CB-CG 4.29Å; R790-F828 HydrophobicContact CB-CE1 4.43Å
791	K	97.1	Very high	98.4	Very high	124 Å²	124	13.7 Å²	13.7	54%	0.539	6%	0.062	S	C	.	.	G	3₁₀ helix	trans	-104.4	-9.7	179.1	-59.1	-57.2	-175.6	-177.1	0	113.3	I770 L788 L789	I770-K791 HydrophobicContact CD1-CB 4.28Å; L788-K791 WeakPolarHBondContact O-CB 3.48Å; L788-K791 PolarHBondContact O-N 2.78Å; L789-K791 PolarHBondContact O-N 3.28Å
792	A	97.9	Very high	98.4	Very high	5 Å²	5	12.5 Å²	12.5	4%	0.041	6%	0.057	C	C	.	.			trans	-126.4	83.4	-177.7	0	0	0	0	0	110.7	V440 I770 L789 V794 L795 Q796	V440-A792 HydrophobicContact CG1-CB 4.43Å; I770-A792 HydrophobicContact CG2-CB 3.8Å; L789-A792 CarbonylContact O-C 3.48Å; L789-A792 PolarHBondContact O-N 3.46Å; L789-A792 VanDerWaalsContact O-N 3.08Å; A792-V794 VanDerWaalsContact C-N 3.27Å; A792-V794 PolarHBondContact O-N 3.44Å; A792-L795 HydrophobicContact CB-CB 4Å; A792-L795 HydrophobicContact CB-CD1 3.91Å; A792-L795 HydrophobicContact CB-CG 4.19Å; A792-L795 PolarHBondContact O-N 3.01Å; A792-L795 VanDerWaalsContact O-N 3.1Å; A792-Q796 PolarHBondContact O-N 3.31Å
793	P	98.4	Very high	98.4	Very high	14 Å²	14	14.1 Å²	14.1	9%	0.091	6%	0.064	C	C	.	.	H	α-helix	trans	-54.1	-39.2	-176.7	-28.3	35.5	0	0	0	114.3	K446 C449 Y450 L453 Q796 Y797	K446-P793 HydrophobicContact CG-CB 4.3Å; K446-P793 HydrophobicContact CG-CG 3.96Å; C449-P793 HydrophobicContact CB-CB 4.26Å; Y450-P793 HydrophobicContact CD2-CB 4.48Å; Y450-P793 HydrophobicContact CD2-CG 4.06Å; L453-P793 HydrophobicContact CD1-CB 4.03Å; L453-P793 WeakPolarHBondContact CD1-O 3.32Å; P793-Q796 PolarHBondContact O-N 3.43Å; P793-Y797 WeakPolarHBondContact O-CB 3.02Å; P793-Y797 PolarHBondContact O-N 2.92Å
794	V	98.6	Very high	98.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-48.2	177.7	-175.5	0	0	0	0	110.9	L253 V440 L445 K446 C449 A792 Y797 L798	L253-V794 HydrophobicContact CD2-CG1 4.46Å; V440-V794 HydrophobicContact CG2-CB 4.43Å; V440-V794 HydrophobicContact CG2-CG1 4.45Å; L445-V794 HydrophobicContact CD2-CG1 3.94Å; L445-V794 HydrophobicContact CD2-CG2 4.4Å; L445-V794 HydrophobicContact CG-CG1 4.16Å; L445-V794 HydrophobicContact CG-CG2 3.93Å; K446-V794 HydrophobicContact CB-CG2 4.13Å; C449-V794 HydrophobicContact CB-CG2 4.39Å; A792-V794 VanDerWaalsContact C-N 3.27Å; A792-V794 PolarHBondContact O-N 3.44Å; V794-Y797 PolarHBondContact O-N 3.04Å; V794-L798 HydrophobicContact CG1-CD1 4.1Å; V794-L798 WeakPolarHBondContact O-CB 3.26Å; V794-L798 VanDerWaalsContact O-CG 3.29Å; V794-L798 WeakPolarHBondContact O-CG 3.25Å; V794-L798 PolarHBondContact O-N 3.13Å
795	L	98.6	Very high	98.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-43.6	177	-69.7	176.1	0	0	0	111.7	I436 V440 I770 L773 V774 L789 A792 Y797 L798 Y799	I436-L795 HydrophobicContact CG2-CD2 4.36Å; V440-L795 HydrophobicContact CG1-CD1 4.31Å; V440-L795 HydrophobicContact CG1-CG 4.32Å; V440-L795 HydrophobicContact CG2-CD1 4.12Å; V440-L795 HydrophobicContact CG2-CD2 3.63Å; V440-L795 HydrophobicContact CG2-CG 3.55Å; I770-L795 HydrophobicContact CG2-CD1 3.74Å; L773-L795 HydrophobicContact CB-CD1 3.78Å; V774-L795 HydrophobicContact CG2-CD1 3.94Å; V774-L795 HydrophobicContact CG2-CD2 4.2Å; L789-L795 HydrophobicContact CD2-CB 3.76Å; A792-L795 HydrophobicContact CB-CB 4Å; A792-L795 HydrophobicContact CB-CD1 3.91Å; A792-L795 HydrophobicContact CB-CG 4.19Å; A792-L795 PolarHBondContact O-N 3.01Å; A792-L795 VanDerWaalsContact O-N 3.1Å; L795-Y797 VanDerWaalsContact C-N 3.3Å; L795-Y797 PolarHBondContact O-N 2.86Å; L795-L798 HydrophobicContact CD2-CD1 4.46Å; L795-L798 PolarHBondContact O-N 3.25Å; L795-Y799 WeakPolarHBondContact O-CB 3.29Å; L795-Y799 WeakPolarHBondContact O-CD2 3.13Å; L795-Y799 PolarHBondContact O-N 3.18Å
796	Q	98.8	Very high	98.4	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-42.5	177.6	-177.9	177	97.7	0	0	112	L453 L789 A792 P793 Y799 Y800 L833	L453-Q796 HydrophobicContact CD1-CB 4.01Å; L453-Q796 HydrophobicContact CD1-CG 4.08Å; L453-Q796 VanDerWaalsContact CD1-OE1 3.27Å; L453-Q796 HydrophobicContact CD2-CB 4.48Å; L453-Q796 HydrophobicContact CD2-CG 3.84Å; L789-Q796 HydrophobicContact CB-CB 4.25Å; A792-Q796 PolarHBondContact O-N 3.31Å; P793-Q796 PolarHBondContact O-N 3.43Å; Q796-Y799 PolarHBondContact O-N 3.11Å; Q796-Y800 PolarHBondContact O-N 3.48Å; Q796-L833 HydrophobicContact CG-CD1 4.4Å; Q796-L833 HydrophobicContact CG-CD2 4Å
797	Y	98.7	Very high	98.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.4	-40.9	176.9	-170.6	-111.2	0	0	0	111.7	L253 F448 C449 R452 L453 L456 P793 V794 L795 Y800 I801 E926 L930	L253-Y797 HydrophobicContact CD1-CD1 3.93Å; L253-Y797 HydrophobicContact CD1-CE1 3.7Å; L253-Y797 HydrophobicContact CD2-CD1 3.98Å; F448-Y797 HydrophobicContact CE1-CE1 4.5Å; C449-Y797 HydrophobicContact CB-CG 4.35Å; R452-Y797 HydrophobicContact CB-CD2 3.99Å; R452-Y797 HydrophobicContact CB-CE2 3.52Å; R452-Y797 HydrophobicContact CG-CE2 4.14Å; L453-Y797 HydrophobicContact CD2-CD2 4.15Å; L453-Y797 HydrophobicContact CG-CD2 4.27Å; L456-Y797 HydrophobicContact CD1-CD2 4.5Å; L456-Y797 HydrophobicContact CD1-CE2 4.34Å; P793-Y797 WeakPolarHBondContact O-CB 3.02Å; P793-Y797 PolarHBondContact O-N 2.92Å; V794-Y797 PolarHBondContact O-N 3.04Å; L795-Y797 VanDerWaalsContact C-N 3.3Å; L795-Y797 PolarHBondContact O-N 2.86Å; Y797-Y800 HydrophobicContact CD2-CD1 4.21Å; Y797-Y800 HydrophobicContact CE2-CD1 4.16Å; Y797-Y800 WeakPolarHBondContact O-CB 3.44Å; Y797-Y800 PolarHBondContact O-N 3.2Å; Y797-I801 HydrophobicContact CD1-CD1 4.34Å; Y797-I801 HydrophobicContact CE1-CD1 4.2Å; Y797-I801 HydrophobicContact CE1-CG2 4.1Å; Y797-I801 HydrophobicContact CE2-CG2 4.21Å; Y797-I801 WeakPolarHBondContact O-CG1 3.32Å; Y797-I801 PolarHBondContact O-N 3.16Å; Y797-E926 WeakPolarHBondContact CE2-OE2 3.26Å; Y797-E926 PolarHBondContact OH-OE2 3.32Å; Y797-L930 HydrophobicContact CE1-CD1 4.14Å
798	L	98.7	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.1	-44.3	172.9	-76.4	172.4	0	0	0	112.6	L253 A256 F777 V794 L795 Y800 I801 A802	L253-L798 HydrophobicContact CD2-CD2 3.66Å; L253-L798 HydrophobicContact CD2-CG 3.93Å; A256-L798 HydrophobicContact CB-CD1 3.96Å; A256-L798 HydrophobicContact CB-CD2 3.67Å; F777-L798 HydrophobicContact CD2-CB 4.17Å; F777-L798 HydrophobicContact CE1-CD1 4.39Å; F777-L798 HydrophobicContact CE2-CB 3.67Å; F777-L798 HydrophobicContact CE2-CD1 4.4Å; F777-L798 HydrophobicContact CE2-CD2 4.42Å; F777-L798 HydrophobicContact CE2-CG 4.39Å; F777-L798 HydrophobicContact CZ-CB 4.14Å; F777-L798 HydrophobicContact CZ-CD1 4.19Å; F777-L798 HydrophobicContact CZ-CD2 4.08Å; F777-L798 HydrophobicContact CZ-CG 4.38Å; V794-L798 HydrophobicContact CG1-CD1 4.1Å; V794-L798 WeakPolarHBondContact O-CB 3.26Å; V794-L798 VanDerWaalsContact O-CG 3.29Å; V794-L798 WeakPolarHBondContact O-CG 3.25Å; V794-L798 PolarHBondContact O-N 3.13Å; L795-L798 HydrophobicContact CD2-CD1 4.46Å; L795-L798 PolarHBondContact O-N 3.25Å; L798-Y800 VanDerWaalsContact C-N 3.28Å; L798-Y800 PolarHBondContact O-N 3.16Å; L798-I801 HydrophobicContact CD2-CD1 4.2Å; L798-I801 PolarHBondContact O-N 3.38Å; L798-A802 WeakPolarHBondContact O-CB 3.46Å; L798-A802 PolarHBondContact O-N 2.86Å
799	Y	98.7	Very high	98.5	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-62.1	-36.6	175.6	-90.7	-115	0	0	0	111.9	L773 F777 I783 L789 L795 Q796 Q803 I804 I806	L773-Y799 PolarHBondContact O-OH 2.98Å; F777-Y799 HydrophobicContact CB-CE2 3.95Å; F777-Y799 HydrophobicContact CD2-CD2 4.12Å; F777-Y799 HydrophobicContact CD2-CE2 4.06Å; F777-Y799 HydrophobicContact CG-CE2 4.48Å; I783-Y799 HydrophobicContact CD1-CD1 4.45Å; I783-Y799 HydrophobicContact CD1-CE1 3.49Å; I783-Y799 VanDerWaalsContact CD1-CE1 3.49Å; I783-Y799 HydrophobicContact CG1-CE1 3.93Å; L789-Y799 HydrophobicContact CD1-CD1 3.86Å; L789-Y799 HydrophobicContact CD1-CE1 4.23Å; L789-Y799 HydrophobicContact CD1-CG 4.08Å; L789-Y799 HydrophobicContact CD2-CD1 4.46Å; L789-Y799 HydrophobicContact CD2-CD2 3.81Å; L789-Y799 HydrophobicContact CD2-CE2 3.99Å; L789-Y799 HydrophobicContact CD2-CG 4.05Å; L795-Y799 WeakPolarHBondContact O-CB 3.29Å; L795-Y799 WeakPolarHBondContact O-CD2 3.13Å; L795-Y799 PolarHBondContact O-N 3.18Å; Q796-Y799 PolarHBondContact O-N 3.11Å; Y799-Q803 WeakPolarHBondContact O-CA 3.41Å; Y799-Q803 PolarHBondContact O-N 3.19Å; Y799-I804 HydrophobicContact CD1-CB 3.59Å; Y799-I804 HydrophobicContact CD1-CD1 3.99Å; Y799-I804 HydrophobicContact CD1-CG1 4.28Å; Y799-I804 HydrophobicContact CD1-CG2 3.78Å; Y799-I804 HydrophobicContact CD2-CD1 3.93Å; Y799-I804 HydrophobicContact CE1-CB 3.96Å; Y799-I804 HydrophobicContact CE1-CD1 4.07Å; Y799-I804 HydrophobicContact CE1-CG2 3.6Å; Y799-I804 HydrophobicContact CE2-CD1 4.07Å; Y799-I804 HydrophobicContact CG-CB 4.15Å; Y799-I804 HydrophobicContact CG-CD1 3.91Å; Y799-I804 HydrophobicContact CG-CG1 4.4Å; Y799-I804 PolarHBondContact O-N 3.48Å; Y799-I806 HydrophobicContact CD1-CD1 4.04Å; Y799-I806 HydrophobicContact CD1-CG1 4.14Å
800	Y	98.8	Very high	98.5	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.016	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-55.2	174.2	165.8	-107.6	0	0	0	112.2	L456 Q796 Y797 L798 A802 Q803 R831 G832 L833 L923 E926	L456-Y800 HydrophobicContact CD1-CD1 3.68Å; L456-Y800 HydrophobicContact CD1-CE1 3.52Å; L456-Y800 HydrophobicContact CD1-CE2 4.38Å; L456-Y800 HydrophobicContact CD1-CG 4.2Å; L456-Y800 HydrophobicContact CD2-CE1 4.17Å; Q796-Y800 PolarHBondContact O-N 3.48Å; Y797-Y800 HydrophobicContact CD2-CD1 4.21Å; Y797-Y800 HydrophobicContact CE2-CD1 4.16Å; Y797-Y800 WeakPolarHBondContact O-CB 3.44Å; Y797-Y800 PolarHBondContact O-N 3.2Å; L798-Y800 VanDerWaalsContact C-N 3.28Å; L798-Y800 PolarHBondContact O-N 3.16Å; Y800-A802 VanDerWaalsContact C-N 3.28Å; Y800-A802 PolarHBondContact O-N 3.26Å; Y800-Q803 PolarHBondContact O-N 2.84Å; Y800-Q803 PolarHBondContact O-NE2 3.26Å; Y800-R831 WeakPolarHBondContact CD2-O 3.15Å; Y800-R831 VanDerWaalsContact CE2-O 3.22Å; Y800-R831 WeakPolarHBondContact CE2-O 3.39Å; Y800-G832 WeakPolarHBondContact CD2-O 3.32Å; Y800-G832 WeakPolarHBondContact CE2-O 3.28Å; Y800-L833 HydrophobicContact CD2-CD1 4.31Å; Y800-L833 HydrophobicContact CG-CD1 4.41Å; Y800-L923 HydrophobicContact CE1-CD1 4.29Å; Y800-L923 HydrophobicContact CE2-CD1 4.47Å; Y800-L923 VanDerWaalsContact OH-CA 3.31Å; Y800-L923 WeakPolarHBondContact OH-CA 3.42Å; Y800-L923 PolarHBondContact OH-N 3Å; Y800-E926 HydrophobicContact CE1-CB 4.21Å; Y800-E926 HydrophobicContact CE1-CG 3.94Å
801	I	98.3	Very high	98.5	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.5	-23.2	-176.5	64.3	-179	0	0	0	113	L257 T275 Y797 L798 L927 L930	L257-I801 HydrophobicContact CD1-CD1 3.75Å; L257-I801 HydrophobicContact CD1-CG1 4.06Å; L257-I801 HydrophobicContact CD2-CD1 4.43Å; L257-I801 HydrophobicContact CD2-CG1 4.11Å; L257-I801 HydrophobicContact CG-CD1 4.14Å; L257-I801 HydrophobicContact CG-CG1 4.35Å; T275-I801 VanDerWaalsContact CG2-O 3.3Å; T275-I801 WeakPolarHBondContact CG2-O 3.17Å; T275-I801 PolarHBondContact OG1-O 3.16Å; Y797-I801 HydrophobicContact CD1-CD1 4.34Å; Y797-I801 HydrophobicContact CE1-CD1 4.2Å; Y797-I801 HydrophobicContact CE1-CG2 4.1Å; Y797-I801 HydrophobicContact CE2-CG2 4.21Å; Y797-I801 WeakPolarHBondContact O-CG1 3.32Å; Y797-I801 PolarHBondContact O-N 3.16Å; L798-I801 HydrophobicContact CD2-CD1 4.2Å; L798-I801 PolarHBondContact O-N 3.38Å; I801-L927 HydrophobicContact CB-CD2 4.09Å; I801-L930 HydrophobicContact CD1-CD1 3.71Å
802	A	98.3	Very high	98.6	Very high	3 Å²	3	4.5 Å²	4.5	3%	0.025	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.1	171.2	0	0	0	0	0	113.7	L257 H272 F777 L798 Y800 I804	L257-A802 HydrophobicContact CD2-CB 3.71Å; H272-A802 WeakPolarHBondContact CB-O 3.13Å; F777-A802 HydrophobicContact CE2-CB 4.4Å; L798-A802 WeakPolarHBondContact O-CB 3.46Å; L798-A802 PolarHBondContact O-N 2.86Å; Y800-A802 VanDerWaalsContact C-N 3.28Å; Y800-A802 PolarHBondContact O-N 3.26Å; A802-I804 VanDerWaalsContact C-N 3.29Å; A802-I804 HydrophobicContact CB-CD1 4.11Å; A802-I804 HydrophobicContact CB-CG1 3.76Å; A802-I804 PolarHBondContact O-N 3.16Å
803	Q	98.7	Very high	98.6	Very high	37 Å²	37	4.2 Å²	4.2	17%	0.173	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	50.6	-174.9	-69.7	-71.5	-70.6	0	0	112.7	H272 Y799 Y800 G832 F834 L923	H272-Q803 HydrophobicContact CB-CB 4.04Å; Y799-Q803 WeakPolarHBondContact O-CA 3.41Å; Y799-Q803 PolarHBondContact O-N 3.19Å; Y800-Q803 PolarHBondContact O-N 2.84Å; Y800-Q803 PolarHBondContact O-NE2 3.26Å; Q803-G832 PolarHBondContact NE2-O 3.09Å; Q803-F834 HydrophobicContact CB-CB 4.48Å; Q803-F834 WeakPolarHBondContact O-CD1 3.43Å; Q803-L923 HydrophobicContact CG-CD1 4.46Å; Q803-L923 HydrophobicContact CG-CD2 3.71Å
804	I	98.7	Very high	98.6	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	3%	0.033	C	C	.	.			trans	-75.3	127.4	177.8	-54.1	179.6	0	0	0	108.6	F777 Y799 A802	F777-I804 HydrophobicContact CD2-CD1 3.54Å; F777-I804 HydrophobicContact CE2-CD1 3.96Å; Y799-I804 HydrophobicContact CD1-CB 3.59Å; Y799-I804 HydrophobicContact CD1-CD1 3.99Å; Y799-I804 HydrophobicContact CD1-CG1 4.28Å; Y799-I804 HydrophobicContact CD1-CG2 3.78Å; Y799-I804 HydrophobicContact CD2-CD1 3.93Å; Y799-I804 HydrophobicContact CE1-CB 3.96Å; Y799-I804 HydrophobicContact CE1-CD1 4.07Å; Y799-I804 HydrophobicContact CE1-CG2 3.6Å; Y799-I804 HydrophobicContact CE2-CD1 4.07Å; Y799-I804 HydrophobicContact CG-CB 4.15Å; Y799-I804 HydrophobicContact CG-CD1 3.91Å; Y799-I804 HydrophobicContact CG-CG1 4.4Å; Y799-I804 PolarHBondContact O-N 3.48Å; A802-I804 VanDerWaalsContact C-N 3.29Å; A802-I804 HydrophobicContact CB-CD1 4.11Å; A802-I804 HydrophobicContact CB-CG1 3.76Å; A802-I804 PolarHBondContact O-N 3.16Å
805	G	98.7	Very high	98.4	Very high	3 Å²	3	7.6 Å²	7.6	3%	0.031	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136	178.8	0	0	0	0	0	112.6	S782 I783 F834 M880	S782-G805 WeakPolarHBondContact CA-O 3.36Å; S782-G805 VanDerWaalsContact CB-O 3.22Å; S782-G805 WeakPolarHBondContact CB-O 3.42Å; I783-G805 PolarHBondContact N-O 2.69Å; G805-F834 CarbonylContact C-O 3.02Å; G805-F834 WeakPolarHBondContact CA-O 3.3Å; G805-M880 VanDerWaalsContact C-SD 3.58Å; G805-M880 WeakPolarHBondContact CA-SD 3.16Å
806	I	98.9	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	107.2	175.3	-48.2	169.5	0	0	0	108.9	I783 L789 Y799 M808 F828 L833 F834 V835 S836	I783-I806 HydrophobicContact CG1-CG1 4.2Å; I783-I806 HydrophobicContact CG1-CG2 4.25Å; I783-I806 WeakPolarHBondContact O-CA 3.41Å; L789-I806 HydrophobicContact CD1-CD1 3.52Å; Y799-I806 HydrophobicContact CD1-CD1 4.04Å; Y799-I806 HydrophobicContact CD1-CG1 4.14Å; I806-M808 HydrophobicContact CB-CG 4.46Å; I806-M808 HydrophobicContact CG2-CG 3.64Å; I806-M808 HydrophobicContact CG2-SD 4.28Å; I806-F828 HydrophobicContact CD1-CD2 4.3Å; I806-L833 HydrophobicContact CD1-CD2 3.9Å; I806-F834 PolarHBondContact N-O 3.15Å; I806-V835 HydrophobicContact CB-CG1 4.24Å; I806-V835 HydrophobicContact CD1-CG1 4.37Å; I806-V835 WeakPolarHBondContact O-CA 3.44Å; I806-S836 PolarHBondContact O-N 3.43Å
807	A	98.8	Very high	98.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	114.5	171.5	0	0	0	0	0	109.3	T491 H492 I783 N784 H785 M880	T491-A807 WeakPolarHBondContact OG1-CB 3.15Å; H492-A807 HydrophobicContact CB-CB 3.73Å; I783-A807 PolarHBondContact O-N 2.97Å; N784-A807 CarbonylContact C-O 3.47Å; N784-A807 WeakPolarHBondContact CA-O 3.1Å; H785-A807 PolarHBondContact N-O 2.67Å; A807-M880 HydrophobicContact CB-CE 3.86Å
808	M	98.8	Very high	97.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.2	-173.7	-61.9	-169.8	75.3	0	0	111.2	L787 I806 P810 P824 L825 F828 V835 S836 L837 S838	L787-M808 HydrophobicContact CD2-CE 3.85Å; I806-M808 HydrophobicContact CB-CG 4.46Å; I806-M808 HydrophobicContact CG2-CG 3.64Å; I806-M808 HydrophobicContact CG2-SD 4.28Å; M808-P810 VanDerWaalsContact C-CD 3.49Å; M808-P810 VanDerWaalsContact O-CD 3.27Å; M808-P810 WeakPolarHBondContact O-CD 3.2Å; M808-P824 HydrophobicContact CE-CG 4.1Å; M808-L825 HydrophobicContact CB-CD1 3.73Å; M808-L825 HydrophobicContact CB-CG 4.46Å; M808-L825 HydrophobicContact CE-CB 3.87Å; M808-L825 HydrophobicContact CG-CD1 4.47Å; M808-L825 HydrophobicContact SD-CB 3.73Å; M808-L825 HydrophobicContact SD-CD1 4.14Å; M808-L825 HydrophobicContact SD-CG 3.83Å; M808-F828 HydrophobicContact CE-CD2 4.05Å; M808-F828 HydrophobicContact CE-CE2 3.98Å; M808-F828 HydrophobicContact SD-CD2 3.66Å; M808-F828 HydrophobicContact SD-CE2 4.14Å; M808-V835 HydrophobicContact SD-CG1 4.13Å; M808-S836 PolarHBondContact N-O 2.93Å; M808-L837 WeakPolarHBondContact O-CA 3.47Å; M808-S838 VanDerWaalsContact C-OG 3.25Å; M808-S838 PolarHBondContact N-OG 3.15Å; M808-S838 PolarHBondContact O-N 3.46Å; M808-S838 PolarHBondContact O-OG 3.34Å; M808-S838 VanDerWaalsContact O-OG 3.11Å
809	S	98.8	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.			trans	-119.4	76	-179.9	-51.8	0	0	0	0	112.1	L811 S812 N813 S838	S809-L811 VanDerWaalsContact C-N 3.33Å; S809-L811 PolarHBondContact O-N 2.63Å; S809-S812 WeakPolarHBondContact O-CB 3.27Å; S809-S812 PolarHBondContact O-N 3.07Å; S809-S812 VanDerWaalsContact O-N 3.15Å; S809-N813 PolarHBondContact O-N 3.25Å; S809-N813 PolarHBondContact O-ND2 2.82Å; S809-N813 PolarHBondContact O-OD1 3.42Å; S809-S838 VanDerWaalsContact CA-O 3.32Å; S809-S838 WeakPolarHBondContact CA-O 3.44Å; S809-S838 WeakPolarHBondContact CB-O 3.44Å; S809-S838 PolarHBondContact OG-O 3Å; S809-S838 PolarHBondContact OG-OG 2.91Å
810	P	98.6	Very high	97.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-52.1	-38.4	-175.3	-30.2	35.9	0	0	0	116.5	M808 N813 N814 Y820 L825 L837 E855 W863	M808-P810 VanDerWaalsContact C-CD 3.49Å; M808-P810 VanDerWaalsContact O-CD 3.27Å; M808-P810 WeakPolarHBondContact O-CD 3.2Å; P810-N813 PolarHBondContact O-N 3.27Å; P810-N814 VanDerWaalsContact O-CB 3.29Å; P810-N814 WeakPolarHBondContact O-CB 3.34Å; P810-N814 PolarHBondContact O-N 3.35Å; P810-Y820 HydrophobicContact CB-CD2 4.02Å; P810-Y820 HydrophobicContact CB-CE1 4.34Å; P810-Y820 HydrophobicContact CB-CE2 3.39Å; P810-L825 HydrophobicContact CG-CD1 3.63Å; P810-L837 HydrophobicContact CG-CD2 3.76Å; P810-E855 VanDerWaalsContact CD-OE1 3.25Å; P810-E855 WeakPolarHBondContact CD-OE1 3.46Å; P810-W863 HydrophobicContact CB-CH2 4.07Å; P810-W863 HydrophobicContact CG-CH2 3.86Å; P810-W863 HydrophobicContact CG-CZ3 4.17Å
811	L	98.3	Very high	97.6	Very high	18 Å²	18	18.3 Å²	18.3	9%	0.094	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-39.6	177.9	-70.8	176.9	0	0	0	113.1	S809 N814 S815 Y820 E854 E855 I858	S809-L811 VanDerWaalsContact C-N 3.33Å; S809-L811 PolarHBondContact O-N 2.63Å; L811-N814 PolarHBondContact O-N 3.27Å; L811-S815 PolarHBondContact O-N 3.42Å; L811-S815 PolarHBondContact O-OG 2.84Å; L811-Y820 HydrophobicContact CD2-CD2 4.06Å; L811-Y820 HydrophobicContact CD2-CE2 3.77Å; L811-Y820 HydrophobicContact CG-CE2 4.14Å; L811-E854 HydrophobicContact CD1-CG 4.28Å; L811-E855 WeakPolarHBondContact CB-OE2 3.32Å; L811-E855 VanDerWaalsContact CD1-OE2 3.29Å; L811-E855 WeakPolarHBondContact CD1-OE2 3.48Å; L811-E855 WeakPolarHBondContact CG-OE1 3.39Å; L811-E855 PolarHBondContact N-OE1 3.24Å; L811-I858 HydrophobicContact CD1-CD1 3.83Å; L811-I858 HydrophobicContact CD2-CD1 3.72Å; L811-I858 HydrophobicContact CD2-CG2 4.24Å; L811-I858 HydrophobicContact CG-CD1 4.34Å
812	S	98.5	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-52	169.8	167.6	0	0	0	0	110.1	S809 N814 S815 L816 D840 F845	S809-S812 WeakPolarHBondContact O-CB 3.27Å; S809-S812 PolarHBondContact O-N 3.07Å; S809-S812 VanDerWaalsContact O-N 3.15Å; S812-N814 VanDerWaalsContact C-N 3.29Å; S812-N814 PolarHBondContact O-N 2.77Å; S812-S815 PolarHBondContact O-N 2.63Å; S812-L816 WeakPolarHBondContact O-CB 3.41Å; S812-L816 WeakPolarHBondContact O-CG 3.17Å; S812-L816 PolarHBondContact O-N 2.81Å; S812-D840 WeakPolarHBondContact CB-OD2 3.45Å; S812-D840 PolarHBondContact OG-OD2 3.26Å; S812-F845 WeakPolarHBondContact OG-CE2 3.27Å
813	N	97.8	Very high	97.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-40.7	-178.3	-49.2	146.7	0	0	0	111.8	H785 L787 S809 P810 S815 L816 F817 L818 N823	H785-N813 PolarHBondContact ND1-ND2 3.02Å; L787-N813 HydrophobicContact CD1-CB 3.99Å; S809-N813 PolarHBondContact O-N 3.25Å; S809-N813 PolarHBondContact O-ND2 2.82Å; S809-N813 PolarHBondContact O-OD1 3.42Å; P810-N813 PolarHBondContact O-N 3.27Å; N813-S815 PolarHBondContact O-N 2.64Å; N813-L816 PolarHBondContact O-N 3.47Å; N813-F817 PolarHBondContact O-N 2.73Å; N813-L818 CarbonylContact C-O 3.55Å; N813-L818 VanDerWaalsContact C-O 3.23Å; N813-L818 CarbonylContact O-C 3.52Å; N813-L818 PolarHBondContact O-N 3.29Å; N813-L818 VanDerWaalsContact O-O 3.1Å; N813-N823 PolarHBondContact OD1-ND2 2.81Å
814	N	97.8	Very high	97.5	Very high	59 Å²	59	23.3 Å²	23.3	32%	0.316	11%	0.111	S	C	.	.	H	α-helix	trans	-60.3	-34.2	176.5	179.4	78.5	0	0	0	112.6	F560 P810 L811 S812 L818 Y820	F560-N814 WeakPolarHBondContact CD2-O 3.36Å; F560-N814 WeakPolarHBondContact CE2-O 3.45Å; P810-N814 VanDerWaalsContact O-CB 3.29Å; P810-N814 WeakPolarHBondContact O-CB 3.34Å; P810-N814 PolarHBondContact O-N 3.35Å; L811-N814 PolarHBondContact O-N 3.27Å; S812-N814 VanDerWaalsContact C-N 3.29Å; S812-N814 PolarHBondContact O-N 2.77Å; N814-L818 VanDerWaalsContact CA-O 3.22Å; N814-L818 WeakPolarHBondContact CA-O 3.14Å; N814-L818 PolarHBondContact N-O 3.14Å; N814-Y820 HydrophobicContact CB-CD2 4.18Å; N814-Y820 WeakPolarHBondContact OD1-CB 3.39Å; N814-Y820 PolarHBondContact OD1-N 2.95Å
815	S	96.2	Very high	97.5	Very high	26 Å²	26	23.2 Å²	23.2	18%	0.182	11%	0.11	C	C	.	.	H	α-helix	trans	-86.4	-21.5	-178.9	-55	0	0	0	0	113	T559 F560 L811 S812 N813	T559-S815 CarbonylContact C-O 3.58Å; F560-S815 VanDerWaalsContact CA-O 3.3Å; F560-S815 WeakPolarHBondContact CA-O 3.29Å; F560-S815 PolarHBondContact N-O 3.01Å; L811-S815 PolarHBondContact O-N 3.42Å; L811-S815 PolarHBondContact O-OG 2.84Å; S812-S815 PolarHBondContact O-N 2.63Å; N813-S815 PolarHBondContact O-N 2.64Å
816	L	95.9	Very high	97.4	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-111.5	-45.7	-173.2	-63.5	-176.1	0	0	0	115.5	T559 H561 F563 F566 S812 N813 F845	T559-L816 HydrophobicContact CG2-CD2 3.83Å; H561-L816 WeakPolarHBondContact CA-O 3.49Å; H561-L816 PolarHBondContact N-O 2.9Å; F563-L816 HydrophobicContact CD2-CD1 4.42Å; F563-L816 HydrophobicContact CE2-CD1 4.38Å; F566-L816 HydrophobicContact CB-CD2 3.77Å; F566-L816 HydrophobicContact CD2-CD1 4.41Å; F566-L816 HydrophobicContact CD2-CD2 3.84Å; F566-L816 HydrophobicContact CG-CD1 4.45Å; F566-L816 HydrophobicContact CG-CD2 3.83Å; S812-L816 WeakPolarHBondContact O-CB 3.41Å; S812-L816 WeakPolarHBondContact O-CG 3.17Å; S812-L816 PolarHBondContact O-N 2.81Å; N813-L816 PolarHBondContact O-N 3.47Å; L816-F845 HydrophobicContact CD1-CZ 3.88Å; L816-F845 HydrophobicContact CD2-CE1 4.41Å; L816-F845 HydrophobicContact CD2-CZ 4.42Å; L816-F845 HydrophobicContact CG-CE1 4.19Å; L816-F845 HydrophobicContact CG-CZ 3.99Å
817	F	94.3	Very high	97.4	Very high	21 Å²	21	29.3 Å²	29.3	9%	0.092	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.1	-33.9	-164.7	-64.3	-70.4	0	0	0	116.3	H561 F563 E766 A767 N813	H561-F817 PolarHBondContact CE1-O 3.22Å; F563-F817 HydrophobicContact CB-CZ 4.4Å; F563-F817 AromaticContact CD2-CE2 4Å; F563-F817 HydrophobicContact CD2-CE2 4Å; F563-F817 AromaticContact CD2-CZ 3.73Å; F563-F817 HydrophobicContact CD2-CZ 3.73Å; F563-F817 HydrophobicContact CE2-CE2 4.48Å; F563-F817 HydrophobicContact CG-CZ 4.47Å; E766-F817 VanDerWaalsContact CD-CD2 3.44Å; E766-F817 HydrophobicContact CG-CD2 3.57Å; E766-F817 HydrophobicContact CG-CE2 3.78Å; E766-F817 HydrophobicContact CG-CG 4.44Å; E766-F817 VanDerWaalsContact OE1-CD2 3.25Å; E766-F817 WeakPolarHBondContact OE1-CD2 3.21Å; E766-F817 WeakPolarHBondContact OE1-CE2 3.15Å; E766-F817 WeakPolarHBondContact OE2-CE2 3.32Å; A767-F817 HydrophobicContact CB-CD1 4Å; A767-F817 HydrophobicContact CB-CE1 3.89Å; A767-F817 HydrophobicContact CB-CG 4.47Å; A767-F817 HydrophobicContact CB-CZ 4.24Å; N813-F817 PolarHBondContact O-N 2.73Å
818	L	95.3	Very high	97.4	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.142	C	C	.	.	S	Bend	trans	-146.8	117.6	-170.7	-172.1	64.1	0	0	0	111.1	L787 N813 N814 R822	L787-L818 HydrophobicContact CD1-CB 4.27Å; L787-L818 HydrophobicContact CD1-CD2 4.36Å; L787-L818 HydrophobicContact CD2-CD2 4.43Å; N813-L818 CarbonylContact C-O 3.55Å; N813-L818 VanDerWaalsContact C-O 3.23Å; N813-L818 CarbonylContact O-C 3.52Å; N813-L818 PolarHBondContact O-N 3.29Å; N813-L818 VanDerWaalsContact O-O 3.1Å; N814-L818 VanDerWaalsContact CA-O 3.22Å; N814-L818 WeakPolarHBondContact CA-O 3.14Å; N814-L818 PolarHBondContact N-O 3.14Å; L818-R822 HydrophobicContact CD1-CB 3.76Å; L818-R822 WeakPolarHBondContact CD2-O 3.2Å; L818-R822 HydrophobicContact CG-CB 4.06Å
819	D	96.2	Very high	97.4	Very high	51 Å²	51	29.5 Å²	29.5	27%	0.273	14%	0.143	S	C	.	.			trans	-49.6	143.7	177.6	-48.7	-69.3	0	0	0	112.2	H821 R822 N823	D819-H821 VanDerWaalsContact C-N 3.31Å; D819-H821 VanDerWaalsContact CB-CE1 3.48Å; D819-H821 WeakPolarHBondContact CB-CE1 3.45Å; D819-H821 PolarHBondContact O-N 2.75Å; D819-R822 WeakPolarHBondContact O-CA 3.2Å; D819-R822 PolarHBondContact O-N 2.82Å; D819-R822 IonicContact OD2-NH1 3.75Å; D819-R822 PolarHBondContact OD2-NH1 3.3Å; D819-N823 PolarHBondContact O-N 2.9Å
820	Y	97.3	Very high	97.3	Very high	16 Å²	16	30.1 Å²	30.1	6%	0.063	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-53.2	-45	-173.8	-154.7	-74	0	0	0	113.2	P810 L811 N814 R822 N823 I858 A859 V862 W863	P810-Y820 HydrophobicContact CB-CD2 4.02Å; P810-Y820 HydrophobicContact CB-CE1 4.34Å; P810-Y820 HydrophobicContact CB-CE2 3.39Å; L811-Y820 HydrophobicContact CD2-CD2 4.06Å; L811-Y820 HydrophobicContact CD2-CE2 3.77Å; L811-Y820 HydrophobicContact CG-CE2 4.14Å; N814-Y820 HydrophobicContact CB-CD2 4.18Å; N814-Y820 WeakPolarHBondContact OD1-CB 3.39Å; N814-Y820 PolarHBondContact OD1-N 2.95Å; Y820-R822 PolarHBondContact O-N 3.49Å; Y820-R822 VanDerWaalsContact O-N 3.16Å; Y820-N823 VanDerWaalsContact O-CB 3.25Å; Y820-N823 WeakPolarHBondContact O-CB 3.4Å; Y820-N823 PolarHBondContact O-N 3.4Å; Y820-N823 VanDerWaalsContact O-N 3.07Å; Y820-I858 HydrophobicContact CD2-CG2 4.35Å; Y820-I858 HydrophobicContact CE1-CG2 4.26Å; Y820-I858 HydrophobicContact CE2-CG2 3.68Å; Y820-A859 WeakPolarHBondContact OH-CA 3.17Å; Y820-A859 WeakPolarHBondContact OH-CB 3.22Å; Y820-A859 PolarHBondContact OH-N 2.77Å; Y820-V862 HydrophobicContact CD1-CB 4.12Å; Y820-V862 HydrophobicContact CD1-CG1 3.78Å; Y820-V862 HydrophobicContact CD1-CG2 4.18Å; Y820-V862 HydrophobicContact CE1-CB 3.91Å; Y820-V862 HydrophobicContact CE1-CG1 4.02Å; Y820-V862 HydrophobicContact CE1-CG2 4.11Å; Y820-W863 HydrophobicContact CD1-CH2 4.26Å; Y820-W863 AromaticContact CD1-CZ2 3.97Å; Y820-W863 HydrophobicContact CD1-CZ2 3.97Å; Y820-W863 HydrophobicContact CE1-CD2 4.31Å; Y820-W863 HydrophobicContact CE1-CE3 4.21Å; Y820-W863 AromaticContact CE1-CH2 3.62Å; Y820-W863 HydrophobicContact CE1-CH2 3.62Å; Y820-W863 AromaticContact CE1-CZ2 3.71Å; Y820-W863 HydrophobicContact CE1-CZ2 3.71Å; Y820-W863 AromaticContact CE1-CZ3 3.87Å; Y820-W863 HydrophobicContact CE1-CZ3 3.87Å
821	H	95	Very high	97.3	Very high	143 Å²	143	32 Å²	32	66%	0.662	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-67	-14.9	-179.7	70.4	-79.6	0	0	0	114.2	D819	D819-H821 VanDerWaalsContact C-N 3.31Å; D819-H821 VanDerWaalsContact CB-CE1 3.48Å; D819-H821 WeakPolarHBondContact CB-CE1 3.45Å; D819-H821 PolarHBondContact O-N 2.75Å
822	R	96.8	Very high	97.4	Very high	134 Å²	134	31.6 Å²	31.6	51%	0.506	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-102.7	-4.1	176.6	-62.2	170.2	65.4	-154.6	2.1	112.3	L818 D819 Y820	L818-R822 HydrophobicContact CD1-CB 3.76Å; L818-R822 WeakPolarHBondContact CD2-O 3.2Å; L818-R822 HydrophobicContact CG-CB 4.06Å; D819-R822 WeakPolarHBondContact O-CA 3.2Å; D819-R822 PolarHBondContact O-N 2.82Å; D819-R822 IonicContact OD2-NH1 3.75Å; D819-R822 PolarHBondContact OD2-NH1 3.3Å; Y820-R822 PolarHBondContact O-N 3.49Å; Y820-R822 VanDerWaalsContact O-N 3.16Å
823	N	98.3	Very high	97.4	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	16%	0.156	C	C	.	.			trans	-66.1	130.2	178.8	-172.9	-57.9	0	0	0	109.5	N813 D819 Y820 L825 W863	N813-N823 PolarHBondContact OD1-ND2 2.81Å; D819-N823 PolarHBondContact O-N 2.9Å; Y820-N823 VanDerWaalsContact O-CB 3.25Å; Y820-N823 WeakPolarHBondContact O-CB 3.4Å; Y820-N823 PolarHBondContact O-N 3.4Å; Y820-N823 VanDerWaalsContact O-N 3.07Å; N823-L825 VanDerWaalsContact C-N 3.26Å; N823-L825 PolarHBondContact O-N 3.4Å; N823-L825 WeakPolarHBondContact OD1-CB 3.46Å; N823-L825 PolarHBondContact OD1-N 3.36Å; N823-W863 HydrophobicContact CB-CH2 4.27Å; N823-W863 HydrophobicContact CB-CZ2 3.97Å
824	P	98.3	Very high	97.4	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.032	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	8.2	-170.4	38.3	-39.7	0	0	0	113.7	L787 R790 M808 N826 D827 F828	L787-P824 HydrophobicContact CD2-CG 4.26Å; R790-P824 HydrophobicContact CB-CB 3.95Å; R790-P824 HydrophobicContact CB-CG 4.29Å; M808-P824 HydrophobicContact CE-CG 4.1Å; P824-N826 VanDerWaalsContact C-N 3.34Å; P824-N826 PolarHBondContact O-N 3.22Å; P824-D827 WeakPolarHBondContact O-CB 3.17Å; P824-D827 PolarHBondContact O-N 3.38Å; P824-D827 VanDerWaalsContact O-N 3.17Å; P824-F828 HydrophobicContact CB-CD1 4.05Å; P824-F828 HydrophobicContact CB-CE1 3.45Å; P824-F828 VanDerWaalsContact CB-CE1 3.45Å; P824-F828 HydrophobicContact CB-CE2 4.31Å; P824-F828 HydrophobicContact CB-CZ 3.62Å; P824-F828 HydrophobicContact CG-CE1 3.85Å; P824-F828 HydrophobicContact CG-CE2 3.84Å; P824-F828 HydrophobicContact CG-CZ 3.42Å; P824-F828 VanDerWaalsContact CG-CZ 3.42Å; P824-F828 WeakPolarHBondContact O-CD1 3.34Å; P824-F828 VanDerWaalsContact O-CG 3.26Å; P824-F828 WeakPolarHBondContact O-CG 3.22Å; P824-F828 PolarHBondContact O-N 3.27Å
825	L	98.6	Very high	97.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.5	-46.9	-179.5	-173.7	159.7	0	0	0	112.4	M808 P810 N823 D827 F828 L829 L837 W863 F865	M808-L825 HydrophobicContact CB-CD1 3.73Å; M808-L825 HydrophobicContact CB-CG 4.46Å; M808-L825 HydrophobicContact CE-CB 3.87Å; M808-L825 HydrophobicContact CG-CD1 4.47Å; M808-L825 HydrophobicContact SD-CB 3.73Å; M808-L825 HydrophobicContact SD-CD1 4.14Å; M808-L825 HydrophobicContact SD-CG 3.83Å; P810-L825 HydrophobicContact CG-CD1 3.63Å; N823-L825 VanDerWaalsContact C-N 3.26Å; N823-L825 PolarHBondContact O-N 3.4Å; N823-L825 WeakPolarHBondContact OD1-CB 3.46Å; N823-L825 PolarHBondContact OD1-N 3.36Å; L825-D827 VanDerWaalsContact C-N 3.31Å; L825-D827 PolarHBondContact O-N 3.28Å; L825-F828 PolarHBondContact O-N 3.41Å; L825-F828 VanDerWaalsContact O-N 3.13Å; L825-L829 WeakPolarHBondContact O-CB 3.2Å; L825-L829 PolarHBondContact O-N 2.87Å; L825-L837 HydrophobicContact CD1-CD2 3.34Å; L825-L837 HydrophobicContact CD1-CG 4.16Å; L825-W863 HydrophobicContact CB-CH2 3.78Å; L825-W863 HydrophobicContact CB-CZ2 4.49Å; L825-W863 HydrophobicContact CB-CZ3 4.08Å; L825-W863 HydrophobicContact CD1-CH2 4.44Å; L825-W863 HydrophobicContact CD1-CZ3 4.22Å; L825-W863 HydrophobicContact CD2-CE3 4.34Å; L825-W863 HydrophobicContact CD2-CH2 4.45Å; L825-W863 HydrophobicContact CD2-CZ3 3.86Å; L825-W863 HydrophobicContact CG-CH2 4.46Å; L825-W863 HydrophobicContact CG-CZ3 4.29Å; L825-F865 HydrophobicContact CD2-CE2 4.09Å; L825-F865 HydrophobicContact CD2-CZ 3.73Å
826	N	97.6	Very high	97.6	Very high	58 Å²	58	29.2 Å²	29.2	31%	0.31	14%	0.139	S	C	.	.	H	α-helix	trans	-58.4	-44.3	178.2	-177.3	36	0	0	0	111.8	P824 F828 L829 A830 W863 F865	P824-N826 VanDerWaalsContact C-N 3.34Å; P824-N826 PolarHBondContact O-N 3.22Å; N826-F828 VanDerWaalsContact C-N 3.35Å; N826-F828 PolarHBondContact O-N 3.37Å; N826-L829 PolarHBondContact O-N 3.38Å; N826-A830 VanDerWaalsContact O-CB 3.29Å; N826-A830 WeakPolarHBondContact O-CB 3.41Å; N826-A830 PolarHBondContact O-N 3.09Å; N826-W863 HydrophobicContact CB-CB 4.39Å; N826-W863 HydrophobicContact CB-CD2 3.92Å; N826-W863 HydrophobicContact CB-CG 3.82Å; N826-F865 HydrophobicContact CB-CE1 4.43Å; N826-F865 WeakPolarHBondContact OD1-CE1 3.29Å
827	D	98	Very high	97.7	Very high	73 Å²	73	29.1 Å²	29.1	39%	0.39	14%	0.139	S	C	.	.	H	α-helix	trans	-61.8	-42.2	175.3	-85.6	11.7	0	0	0	112	P824 L825 A830 R831	P824-D827 WeakPolarHBondContact O-CB 3.17Å; P824-D827 PolarHBondContact O-N 3.38Å; P824-D827 VanDerWaalsContact O-N 3.17Å; L825-D827 VanDerWaalsContact C-N 3.31Å; L825-D827 PolarHBondContact O-N 3.28Å; D827-A830 PolarHBondContact O-N 3.36Å; D827-R831 VanDerWaalsContact CG-NH2 3.33Å; D827-R831 WeakPolarHBondContact O-CB 3.5Å; D827-R831 WeakPolarHBondContact O-CD 3.35Å; D827-R831 WeakPolarHBondContact O-CG 2.91Å; D827-R831 PolarHBondContact O-N 3.23Å; D827-R831 IonicContact OD2-CZ 2.7Å; D827-R831 IonicContact OD2-NH1 3.22Å; D827-R831 IonicContact OD2-NH2 2.94Å; D827-R831 PolarHBondContact OD2-NH2 3.23Å
828	F	98.7	Very high	97.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.1	-45.8	-178.8	-67.6	3.3	0	0	0	110.6	L789 R790 I806 M808 P824 L825 N826 R831 G832 L833 V835	L789-F828 HydrophobicContact CB-CE1 4.47Å; L789-F828 HydrophobicContact CB-CE2 4.27Å; L789-F828 HydrophobicContact CB-CZ 3.75Å; L789-F828 HydrophobicContact CD1-CE2 4.33Å; R790-F828 HydrophobicContact CB-CE1 4.43Å; I806-F828 HydrophobicContact CD1-CD2 4.3Å; M808-F828 HydrophobicContact CE-CD2 4.05Å; M808-F828 HydrophobicContact CE-CE2 3.98Å; M808-F828 HydrophobicContact SD-CD2 3.66Å; M808-F828 HydrophobicContact SD-CE2 4.14Å; P824-F828 HydrophobicContact CB-CD1 4.05Å; P824-F828 HydrophobicContact CB-CE1 3.45Å; P824-F828 VanDerWaalsContact CB-CE1 3.45Å; P824-F828 HydrophobicContact CB-CE2 4.31Å; P824-F828 HydrophobicContact CB-CZ 3.62Å; P824-F828 HydrophobicContact CG-CE1 3.85Å; P824-F828 HydrophobicContact CG-CE2 3.84Å; P824-F828 HydrophobicContact CG-CZ 3.42Å; P824-F828 VanDerWaalsContact CG-CZ 3.42Å; P824-F828 WeakPolarHBondContact O-CD1 3.34Å; P824-F828 VanDerWaalsContact O-CG 3.26Å; P824-F828 WeakPolarHBondContact O-CG 3.22Å; P824-F828 PolarHBondContact O-N 3.27Å; L825-F828 PolarHBondContact O-N 3.41Å; L825-F828 VanDerWaalsContact O-N 3.13Å; N826-F828 VanDerWaalsContact C-N 3.35Å; N826-F828 PolarHBondContact O-N 3.37Å; F828-R831 PolarHBondContact O-N 3.46Å; F828-G832 PolarHBondContact O-N 3.17Å; F828-G832 VanDerWaalsContact O-N 3.12Å; F828-L833 HydrophobicContact CB-CB 4.07Å; F828-L833 HydrophobicContact CB-CD2 4.13Å; F828-L833 HydrophobicContact CB-CG 4.48Å; F828-L833 HydrophobicContact CD1-CD2 4.31Å; F828-L833 HydrophobicContact CD2-CD2 4.25Å; F828-L833 HydrophobicContact CG-CD2 3.96Å; F828-L833 WeakPolarHBondContact O-CB 3.28Å; F828-L833 PolarHBondContact O-N 3.47Å; F828-V835 HydrophobicContact CB-CG1 3.69Å; F828-V835 HydrophobicContact CD2-CG1 4.2Å; F828-V835 HydrophobicContact CG-CG1 4.48Å
829	L	98.5	Very high	98.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-61.1	-46.2	175.2	-178.2	62.8	0	0	0	110.9	L825 N826 R831 G832 V835 F865 D869 E872 L873 R919	L825-L829 WeakPolarHBondContact O-CB 3.2Å; L825-L829 PolarHBondContact O-N 2.87Å; N826-L829 PolarHBondContact O-N 3.38Å; L829-R831 VanDerWaalsContact C-N 3.33Å; L829-R831 PolarHBondContact O-N 3.36Å; L829-G832 PolarHBondContact O-N 3.2Å; L829-G832 VanDerWaalsContact O-N 3.07Å; L829-V835 HydrophobicContact CB-CG2 3.96Å; L829-V835 HydrophobicContact CD1-CG2 4.03Å; L829-F865 HydrophobicContact CD2-CE1 4.01Å; L829-F865 HydrophobicContact CD2-CE2 4.48Å; L829-F865 HydrophobicContact CD2-CZ 3.96Å; L829-D869 HydrophobicContact CD2-CB 4.2Å; L829-E872 HydrophobicContact CD1-CG 4.34Å; L829-L873 HydrophobicContact CD1-CD2 4.06Å; L829-L873 HydrophobicContact CD1-CG 4.39Å; L829-L873 HydrophobicContact CD2-CD1 4.15Å; L829-L873 HydrophobicContact CD2-CD2 4.2Å; L829-L873 HydrophobicContact CD2-CG 4.1Å; L829-R919 PolarHBondContact O-NH1 2.86Å; L829-R919 PolarHBondContact O-NH2 3.12Å
830	A	98.4	Very high	98.2	Very high	14 Å²	14	25.8 Å²	25.8	12%	0.116	12%	0.122	C	C	.	.	H	α-helix	trans	-59	-44.7	177.9	0	0	0	0	0	111.7	F460 N826 D827 G832 R919	F460-A830 WeakPolarHBondContact CB-O 3.47Å; F460-A830 HydrophobicContact CD1-CB 3.62Å; F460-A830 HydrophobicContact CE1-CB 4.13Å; F460-A830 HydrophobicContact CG-CB 4.39Å; F460-A830 VanDerWaalsContact CG-O 3.31Å; F460-A830 WeakPolarHBondContact CG-O 3.46Å; N826-A830 VanDerWaalsContact O-CB 3.29Å; N826-A830 WeakPolarHBondContact O-CB 3.41Å; N826-A830 PolarHBondContact O-N 3.09Å; D827-A830 PolarHBondContact O-N 3.36Å; A830-G832 PolarHBondContact O-N 3.27Å; A830-R919 PolarHBondContact O-NH1 2.91Å
831	R	98.7	Very high	98.3	Very high	39 Å²	39	25.1 Å²	25.1	15%	0.147	12%	0.119	C	C	.	.	H	α-helix	trans	-70.9	-10	178.1	-67.8	169.6	-170.7	140.1	23	113.8	L453 L456 A457 Y800 D827 F828 L829 L833	L453-R831 PolarHBondContact O-NE 3.25Å; L456-R831 HydrophobicContact CB-CB 4.2Å; L456-R831 HydrophobicContact CB-CG 4.22Å; A457-R831 HydrophobicContact CB-CG 4.04Å; Y800-R831 WeakPolarHBondContact CD2-O 3.15Å; Y800-R831 VanDerWaalsContact CE2-O 3.22Å; Y800-R831 WeakPolarHBondContact CE2-O 3.39Å; D827-R831 VanDerWaalsContact CG-NH2 3.33Å; D827-R831 WeakPolarHBondContact O-CB 3.5Å; D827-R831 WeakPolarHBondContact O-CD 3.35Å; D827-R831 WeakPolarHBondContact O-CG 2.91Å; D827-R831 PolarHBondContact O-N 3.23Å; D827-R831 IonicContact OD2-CZ 2.7Å; D827-R831 IonicContact OD2-NH1 3.22Å; D827-R831 IonicContact OD2-NH2 2.94Å; D827-R831 PolarHBondContact OD2-NH2 3.23Å; F828-R831 PolarHBondContact O-N 3.46Å; L829-R831 VanDerWaalsContact C-N 3.33Å; L829-R831 PolarHBondContact O-N 3.36Å; R831-L833 HydrophobicContact CB-CD1 3.75Å
832	G	98.6	Very high	98.5	Very high	9 Å²	9	18.3 Å²	18.3	9%	0.093	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	22.2	178.2	0	0	0	0	0	114.5	Y800 Q803 F828 L829 A830	Y800-G832 WeakPolarHBondContact CD2-O 3.32Å; Y800-G832 WeakPolarHBondContact CE2-O 3.28Å; Q803-G832 PolarHBondContact NE2-O 3.09Å; F828-G832 PolarHBondContact O-N 3.17Å; F828-G832 VanDerWaalsContact O-N 3.12Å; L829-G832 PolarHBondContact O-N 3.2Å; L829-G832 VanDerWaalsContact O-N 3.07Å; A830-G832 PolarHBondContact O-N 3.27Å
833	L	98.8	Very high	98.5	Very high	3 Å²	3	12 Å²	12	2%	0.016	6%	0.064	C	C	.	.			trans	-66.2	150	168.9	-79.8	74.9	0	0	0	109.9	Q796 Y800 I806 F828 R831 V835	Q796-L833 HydrophobicContact CG-CD1 4.4Å; Q796-L833 HydrophobicContact CG-CD2 4Å; Y800-L833 HydrophobicContact CD2-CD1 4.31Å; Y800-L833 HydrophobicContact CG-CD1 4.41Å; I806-L833 HydrophobicContact CD1-CD2 3.9Å; F828-L833 HydrophobicContact CB-CB 4.07Å; F828-L833 HydrophobicContact CB-CD2 4.13Å; F828-L833 HydrophobicContact CB-CG 4.48Å; F828-L833 HydrophobicContact CD1-CD2 4.31Å; F828-L833 HydrophobicContact CD2-CD2 4.25Å; F828-L833 HydrophobicContact CG-CD2 3.96Å; F828-L833 WeakPolarHBondContact O-CB 3.28Å; F828-L833 PolarHBondContact O-N 3.47Å; R831-L833 HydrophobicContact CB-CD1 3.75Å; L833-V835 VanDerWaalsContact C-N 3.3Å; L833-V835 HydrophobicContact CB-CG1 4.05Å; L833-V835 PolarHBondContact O-N 2.85Å
834	F	98.6	Very high	98.5	Very high	33 Å²	33	11.6 Å²	11.6	15%	0.145	6%	0.062	C	C	.	.			trans	-79.7	76.1	-178.5	-173.7	-143.7	0	0	0	111.4	Q803 G805 I806 N876 L879 M880	Q803-F834 HydrophobicContact CB-CB 4.48Å; Q803-F834 WeakPolarHBondContact O-CD1 3.43Å; G805-F834 CarbonylContact C-O 3.02Å; G805-F834 WeakPolarHBondContact CA-O 3.3Å; I806-F834 PolarHBondContact N-O 3.15Å; F834-N876 HydrophobicContact CD2-CB 3.92Å; F834-N876 HydrophobicContact CE2-CB 3.61Å; F834-L879 HydrophobicContact CE2-CB 4.07Å; F834-L879 HydrophobicContact CE2-CD1 4.41Å; F834-L879 HydrophobicContact CZ-CB 3.64Å; F834-M880 HydrophobicContact CE1-CB 4.05Å; F834-M880 HydrophobicContact CZ-CB 3.93Å
835	V	98.8	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.2	-175.9	-59.8	0	0	0	0	112.6	I806 M808 F828 L829 L833 L873 N876	I806-V835 HydrophobicContact CB-CG1 4.24Å; I806-V835 HydrophobicContact CD1-CG1 4.37Å; I806-V835 WeakPolarHBondContact O-CA 3.44Å; M808-V835 HydrophobicContact SD-CG1 4.13Å; F828-V835 HydrophobicContact CB-CG1 3.69Å; F828-V835 HydrophobicContact CD2-CG1 4.2Å; F828-V835 HydrophobicContact CG-CG1 4.48Å; L829-V835 HydrophobicContact CB-CG2 3.96Å; L829-V835 HydrophobicContact CD1-CG2 4.03Å; L833-V835 VanDerWaalsContact C-N 3.3Å; L833-V835 HydrophobicContact CB-CG1 4.05Å; L833-V835 PolarHBondContact O-N 2.85Å; V835-L873 HydrophobicContact CG2-CD2 3.82Å; V835-N876 VanDerWaalsContact O-CB 3.22Å; V835-N876 WeakPolarHBondContact O-CB 3.28Å; V835-N876 PolarHBondContact O-ND2 3.33Å
836	S	98.7	Very high	98.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.8	165.3	80.9	0	0	0	0	111.3	T491 I806 M808 M880	T491-S836 PolarHBondContact OG1-OG 2.96Å; I806-S836 PolarHBondContact O-N 3.43Å; M808-S836 PolarHBondContact N-O 2.93Å; S836-M880 WeakPolarHBondContact OG-CE 3.39Å
837	L	98.8	Very high	98.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	148.1	168.1	-76.8	170.6	0	0	0	111.3	M808 P810 L825 E855 Y856 A859 L873	M808-L837 WeakPolarHBondContact O-CA 3.47Å; P810-L837 HydrophobicContact CG-CD2 3.76Å; L825-L837 HydrophobicContact CD1-CD2 3.34Å; L825-L837 HydrophobicContact CD1-CG 4.16Å; L837-E855 HydrophobicContact CB-CG 4.49Å; L837-E855 HydrophobicContact CD2-CG 4.15Å; L837-Y856 HydrophobicContact CB-CD2 4.35Å; L837-Y856 HydrophobicContact CB-CE2 3.95Å; L837-Y856 HydrophobicContact CD1-CD1 3.79Å; L837-Y856 HydrophobicContact CD1-CD2 4.13Å; L837-Y856 HydrophobicContact CD1-CE1 4.02Å; L837-Y856 HydrophobicContact CD1-CE2 4.34Å; L837-Y856 HydrophobicContact CD1-CG 3.86Å; L837-A859 HydrophobicContact CD1-CB 3.9Å; L837-A859 HydrophobicContact CD2-CB 4.44Å; L837-L873 HydrophobicContact CD1-CD1 3.96Å; L837-L873 HydrophobicContact CG-CD1 4.27Å
838	S	98.8	Very high	98.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.075	C	C	.	.			trans	-151.4	160.4	178.7	50.9	0	0	0	0	111.2	D490 H492 M808 S809	D490-S838 VanDerWaalsContact OD1-CA 3.28Å; D490-S838 WeakPolarHBondContact OD1-CA 3.37Å; D490-S838 WeakPolarHBondContact OD1-CB 3.32Å; H492-S838 WeakPolarHBondContact O-CB 3.31Å; M808-S838 VanDerWaalsContact C-OG 3.25Å; M808-S838 PolarHBondContact N-OG 3.15Å; M808-S838 PolarHBondContact O-N 3.46Å; M808-S838 PolarHBondContact O-OG 3.34Å; M808-S838 VanDerWaalsContact O-OG 3.11Å; S809-S838 VanDerWaalsContact CA-O 3.32Å; S809-S838 WeakPolarHBondContact CA-O 3.44Å; S809-S838 WeakPolarHBondContact CB-O 3.44Å; S809-S838 PolarHBondContact OG-O 3Å; S809-S838 PolarHBondContact OG-OG 2.91Å
839	T	98.8	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.			trans	-96.4	-21.9	-173	64.7	0	0	0	0	114.7	D490 H492 D841 P842 H846 P851 L852	D490-T839 PolarHBondContact OD1-N 3.28Å; D490-T839 WeakPolarHBondContact OD2-CB 3.37Å; D490-T839 WeakPolarHBondContact OD2-CG2 3.38Å; D490-T839 PolarHBondContact OD2-OG1 2.98Å; H492-T839 PolarHBondContact O-N 3.03Å; T839-D841 VanDerWaalsContact C-N 3.35Å; T839-D841 PolarHBondContact O-N 3.35Å; T839-P842 HydrophobicContact CG2-CG 4.49Å; T839-P842 WeakPolarHBondContact OG1-CD 3.21Å; T839-P842 VanDerWaalsContact OG1-CG 3.25Å; T839-P842 WeakPolarHBondContact OG1-CG 3.3Å; T839-H846 PolarHBondContact O-CE1 3.43Å; T839-P851 HydrophobicContact CG2-CB 3.97Å; T839-L852 HydrophobicContact CG2-CB 4.11Å; T839-L852 HydrophobicContact CG2-CD1 4.13Å
840	D	98.6	Very high	98.3	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	64	-84.7	-174.8	-159.1	4.5	0	0	0	112.6	H492 I493 H494 H785 S812 F845	H492-D840 VanDerWaalsContact CE1-CG 3.47Å; H492-D840 IonicContact CE1-OD1 2.84Å; H492-D840 PolarHBondContact CE1-OD1 2.8Å; H492-D840 IonicContact CE1-OD2 3.15Å; H492-D840 IonicContact ND1-OD1 3.18Å; H492-D840 IonicContact NE2-OD1 3.4Å; H492-D840 PolarHBondContact NE2-OD1 3.46Å; H492-D840 WeakPolarHBondContact O-CA 3.42Å; H492-D840 PolarHBondContact O-N 3.22Å; I493-D840 CarbonylContact C-O 3.39Å; I493-D840 VanDerWaalsContact CA-O 3.26Å; I493-D840 WeakPolarHBondContact CA-O 3.49Å; H494-D840 IonicContact CD2-OD1 3.01Å; H494-D840 PolarHBondContact CD2-OD1 3.08Å; H494-D840 PolarHBondContact N-O 3.34Å; H494-D840 IonicContact NE2-OD1 3.93Å; H494-D840 PolarHBondContact NE2-OD1 3.05Å; H494-D840 VanDerWaalsContact NE2-OD1 3.16Å; H785-D840 IonicContact CE1-OD2 3.16Å; H785-D840 PolarHBondContact CE1-OD2 2.94Å; H785-D840 IonicContact NE2-OD2 3.67Å; S812-D840 WeakPolarHBondContact CB-OD2 3.45Å; S812-D840 PolarHBondContact OG-OD2 3.26Å; D840-F845 HydrophobicContact CB-CE2 4.34Å
841	D	98.6	Very high	98.3	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	13%	0.132	C	C	.	.			trans	-131.3	80.5	-177.4	-65.5	-81.4	0	0	0	112	H494 S497 F566 Y570 T839 L843 Q844 F845	H494-D841 WeakPolarHBondContact CB-OD1 3.4Å; H494-D841 IonicContact CD2-OD1 3.81Å; H494-D841 PolarHBondContact CD2-OD1 3.19Å; H494-D841 IonicContact CD2-OD2 3.27Å; H494-D841 PolarHBondContact CD2-OD2 3.14Å; H494-D841 IonicContact CG-OD1 3.42Å; S497-D841 WeakPolarHBondContact CB-OD1 3.42Å; S497-D841 PolarHBondContact OG-OD1 3.46Å; F566-D841 HydrophobicContact CE2-CB 4.47Å; F566-D841 HydrophobicContact CZ-CB 4.45Å; F566-D841 VanDerWaalsContact CZ-OD2 3.24Å; F566-D841 WeakPolarHBondContact CZ-OD2 3.47Å; Y570-D841 PolarHBondContact OH-OD1 2.81Å; T839-D841 VanDerWaalsContact C-N 3.35Å; T839-D841 PolarHBondContact O-N 3.35Å; D841-L843 PolarHBondContact O-N 3.25Å; D841-Q844 HydrophobicContact CB-CB 4.15Å; D841-Q844 PolarHBondContact O-N 3.42Å; D841-F845 HydrophobicContact CB-CD2 3.94Å; D841-F845 HydrophobicContact CB-CE2 3.67Å; D841-F845 VanDerWaalsContact O-CD2 3.27Å; D841-F845 WeakPolarHBondContact O-CD2 3.43Å; D841-F845 PolarHBondContact O-N 3.44Å; D841-F845 VanDerWaalsContact O-N 3.13Å
842	P	98.6	Very high	98.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-47.9	-34.2	176.1	-33.4	36.1	0	0	0	116.2	I493 S497 T839 Q844 H846 P851	I493-P842 HydrophobicContact CD1-CG 3.89Å; I493-P842 HydrophobicContact CG1-CG 4.29Å; S497-P842 WeakPolarHBondContact O-CB 3.18Å; S497-P842 WeakPolarHBondContact O-CD 3.41Å; T839-P842 HydrophobicContact CG2-CG 4.49Å; T839-P842 WeakPolarHBondContact OG1-CD 3.21Å; T839-P842 VanDerWaalsContact OG1-CG 3.25Å; T839-P842 WeakPolarHBondContact OG1-CG 3.3Å; P842-Q844 VanDerWaalsContact C-N 3.28Å; P842-Q844 PolarHBondContact O-N 2.91Å; P842-H846 WeakPolarHBondContact CA-ND1 3.4Å; P842-H846 PolarHBondContact O-N 2.83Å; P842-H846 VanDerWaalsContact O-N 3.16Å; P842-P851 HydrophobicContact CB-CB 3.8Å; P842-P851 HydrophobicContact CB-CG 3.69Å; P842-P851 HydrophobicContact CG-CB 3.87Å; P842-P851 HydrophobicContact CG-CG 4.15Å
843	L	98.1	Very high	98.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-37.2	178	-179.8	61.6	0	0	0	112.2	S497 M499 Q501 L504 V553 L583 D841	S497-L843 WeakPolarHBondContact O-CB 3.35Å; S497-L843 PolarHBondContact O-N 3.03Å; M499-L843 HydrophobicContact CG-CD1 4.47Å; M499-L843 WeakPolarHBondContact O-CA 3.28Å; M499-L843 WeakPolarHBondContact O-CB 3.33Å; M499-L843 PolarHBondContact O-N 2.93Å; M499-L843 HydrophobicContact SD-CB 4.29Å; M499-L843 HydrophobicContact SD-CD1 4.33Å; M499-L843 HydrophobicContact SD-CD2 4.03Å; M499-L843 HydrophobicContact SD-CG 4.46Å; Q501-L843 HydrophobicContact CB-CD1 4.23Å; L504-L843 HydrophobicContact CB-CD1 4.08Å; L504-L843 HydrophobicContact CD2-CD1 3.77Å; L504-L843 HydrophobicContact CD2-CD2 3.91Å; V553-L843 HydrophobicContact CB-CD1 4.32Å; V553-L843 HydrophobicContact CB-CD2 4.37Å; V553-L843 HydrophobicContact CB-CG 4.15Å; V553-L843 HydrophobicContact CG2-CD1 3.7Å; V553-L843 HydrophobicContact CG2-CG 4.04Å; L583-L843 HydrophobicContact CD1-CD2 4.39Å; D841-L843 PolarHBondContact O-N 3.25Å
844	Q	98.1	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-91.4	-25.4	-175.8	-77.9	69.1	23.9	0	0	112.9	S497 V553 H554 A555 F566 K569 D841 P842	S497-Q844 VanDerWaalsContact CB-OE1 3.3Å; S497-Q844 PolarHBondContact OG-OE1 2.63Å; V553-Q844 VanDerWaalsContact O-CG 3.28Å; V553-Q844 WeakPolarHBondContact O-CG 3.16Å; H554-Q844 PolarHBondContact CD2-O 2.73Å; H554-Q844 PolarHBondContact CE1-O 2.94Å; H554-Q844 VanDerWaalsContact CE1-O 3.31Å; H554-Q844 PolarHBondContact ND1-O 2.75Å; H554-Q844 PolarHBondContact NE2-O 3.3Å; A555-Q844 HydrophobicContact CB-CB 4.37Å; A555-Q844 WeakPolarHBondContact CB-O 3.5Å; A555-Q844 PolarHBondContact N-O 2.92Å; F566-Q844 HydrophobicContact CD2-CB 4.47Å; F566-Q844 HydrophobicContact CD2-CG 4.11Å; F566-Q844 HydrophobicContact CE2-CB 3.95Å; F566-Q844 HydrophobicContact CE2-CG 3.68Å; K569-Q844 HydrophobicContact CB-CG 3.99Å; K569-Q844 PolarHBondContact O-NE2 3.22Å; D841-Q844 HydrophobicContact CB-CB 4.15Å; D841-Q844 PolarHBondContact O-N 3.42Å; P842-Q844 VanDerWaalsContact C-N 3.28Å; P842-Q844 PolarHBondContact O-N 2.91Å
845	F	98	Very high	98.3	Very high	7 Å²	7	26.3 Å²	26.3	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-119.9	-33.9	-167.8	-54	-51.1	0	0	0	115.9	H554 A555 F566 S812 L816 D840 D841	H554-F845 PolarHBondContact NE2-O 3.28Å; A555-F845 HydrophobicContact CB-CD1 3.84Å; A555-F845 HydrophobicContact CB-CE1 3.64Å; F566-F845 HydrophobicContact CD2-CE1 4.41Å; F566-F845 HydrophobicContact CD2-CZ 4.06Å; F566-F845 HydrophobicContact CE2-CE1 4.24Å; F566-F845 HydrophobicContact CE2-CE2 4.19Å; F566-F845 AromaticContact CE2-CZ 3.55Å; F566-F845 HydrophobicContact CE2-CZ 3.55Å; F566-F845 HydrophobicContact CZ-CZ 4.37Å; S812-F845 WeakPolarHBondContact OG-CE2 3.27Å; L816-F845 HydrophobicContact CD1-CZ 3.88Å; L816-F845 HydrophobicContact CD2-CE1 4.41Å; L816-F845 HydrophobicContact CD2-CZ 4.42Å; L816-F845 HydrophobicContact CG-CE1 4.19Å; L816-F845 HydrophobicContact CG-CZ 3.99Å; D840-F845 HydrophobicContact CB-CE2 4.34Å; D841-F845 HydrophobicContact CB-CD2 3.94Å; D841-F845 HydrophobicContact CB-CE2 3.67Å; D841-F845 VanDerWaalsContact O-CD2 3.27Å; D841-F845 WeakPolarHBondContact O-CD2 3.43Å; D841-F845 PolarHBondContact O-N 3.44Å; D841-F845 VanDerWaalsContact O-N 3.13Å
846	H	98.5	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.126	C	C	.	.			trans	-100.6	145.8	-166.9	-62.7	72.9	0	0	0	112.4	T839 P842 P851 E854 E855	T839-H846 PolarHBondContact O-CE1 3.43Å; P842-H846 WeakPolarHBondContact CA-ND1 3.4Å; P842-H846 PolarHBondContact O-N 2.83Å; P842-H846 VanDerWaalsContact O-N 3.16Å; H846-P851 HydrophobicContact CB-CB 3.81Å; H846-P851 HydrophobicContact CB-CG 4.18Å; H846-P851 PolarHBondContact CD2-O 3.49Å; H846-P851 PolarHBondContact NE2-O 2.83Å; H846-E854 WeakPolarHBondContact CB-OE2 3.27Å; H846-E854 IonicContact CD2-OE2 2.71Å; H846-E855 IonicContact CD2-OE2 2.76Å; H846-E855 IonicContact CE1-OE2 3.58Å; H846-E855 PolarHBondContact CE1-OE2 3.06Å; H846-E855 VanDerWaalsContact CE1-OE2 3.24Å; H846-E855 IonicContact NE2-OE2 3.62Å; H846-E855 PolarHBondContact NE2-OE2 3.05Å
847	F	97.5	Very high	98.3	Very high	136 Å²	136	29.3 Å²	29.3	60%	0.596	15%	0.146	S	C	*	.			trans	-105.6	-25.5	-177.6	-64.4	-80.9	0	0	0	113.6	H554 E854	H554-F847 AromaticContact CE1-CE1 3.62Å; H554-F847 AromaticContact CE1-CE2 3.77Å; H554-F847 AromaticContact CE1-CZ 3.21Å; H554-F847 WeakPolarHBondContact CE1-CZ 3.24Å; H554-F847 AromaticContact NE2-CE1 3.53Å; H554-F847 AromaticContact NE2-CE2 3.95Å; H554-F847 AromaticContact NE2-CZ 3.51Å; F847-E854 PolarHBondContact N-OE1 2.82Å; F847-E854 VanDerWaalsContact N-OE1 3.15Å; F847-E854 PolarHBondContact N-OE2 3.24Å; F847-E854 VanDerWaalsContact N-OE2 3.09Å
848	T	97.8	Very high	98.2	Very high	62 Å²	62	31.9 Å²	31.9	38%	0.38	16%	0.159	S	C	.	.	S	Bend	trans	-85.1	173.6	-173.8	70.7	0	0	0	0	112.3	N500 E850 E854	N500-T848 PolarHBondContact ND2-O 3.39Å; T848-E850 VanDerWaalsContact C-N 3.3Å; T848-E850 PolarHBondContact OG1-N 3.31Å; T848-E850 PolarHBondContact OG1-O 3.22Å; T848-E854 VanDerWaalsContact CB-OE2 3.27Å; T848-E854 WeakPolarHBondContact CB-OE2 3.39Å; T848-E854 HydrophobicContact CG2-CB 4.13Å; T848-E854 HydrophobicContact CG2-CG 4.21Å; T848-E854 VanDerWaalsContact CG2-OE2 3.27Å; T848-E854 WeakPolarHBondContact CG2-OE2 3.3Å; T848-E854 PolarHBondContact N-OE2 2.94Å; T848-E854 WeakPolarHBondContact OG1-CB 3.32Å; T848-E854 PolarHBondContact OG1-OE2 2.79Å
849	K	96.7	Very high	98.2	Very high	173 Å²	173	31.9 Å²	31.9	75%	0.752	16%	0.159	S	C	*	.	S	Bend	trans	-76.2	-19.8	174.1	-64.6	-176.9	-177.9	178.5	0	113.1	P851	K849-P851 VanDerWaalsContact C-CD 3.49Å; K849-P851 WeakPolarHBondContact O-CD 3.44Å
850	E	97.1	Very high	98.2	Very high	95 Å²	95	32.5 Å²	32.5	44%	0.444	16%	0.164	S	C	.	.			trans	-122.2	76.7	-178	-62.8	-175.5	112	0	0	109.4	Q611 T848 L852 I853 E854	Q611-E850 PolarHBondContact NE2-OE1 3.36Å; T848-E850 VanDerWaalsContact C-N 3.3Å; T848-E850 PolarHBondContact OG1-N 3.31Å; T848-E850 PolarHBondContact OG1-O 3.22Å; E850-L852 PolarHBondContact O-N 3.15Å; E850-L852 VanDerWaalsContact O-N 3.16Å; E850-I853 HydrophobicContact CB-CB 3.94Å; E850-I853 HydrophobicContact CB-CG1 3.97Å; E850-I853 PolarHBondContact O-N 3.41Å; E850-E854 PolarHBondContact O-N 3.21Å
851	P	98.5	Very high	98.1	Very high	20 Å²	20	39.8 Å²	39.8	13%	0.13	20%	0.198	C	C	.	.	H	α-helix	trans	-51.1	-41	-175.1	-30.4	36.9	0	0	0	113.9	T839 P842 H846 K849 I853 E854 E855	T839-P851 HydrophobicContact CG2-CB 3.97Å; P842-P851 HydrophobicContact CB-CB 3.8Å; P842-P851 HydrophobicContact CB-CG 3.69Å; P842-P851 HydrophobicContact CG-CB 3.87Å; P842-P851 HydrophobicContact CG-CG 4.15Å; H846-P851 HydrophobicContact CB-CB 3.81Å; H846-P851 HydrophobicContact CB-CG 4.18Å; H846-P851 PolarHBondContact CD2-O 3.49Å; H846-P851 PolarHBondContact NE2-O 2.83Å; K849-P851 VanDerWaalsContact C-CD 3.49Å; K849-P851 WeakPolarHBondContact O-CD 3.44Å; P851-I853 PolarHBondContact O-N 3.21Å; P851-E854 WeakPolarHBondContact O-CB 3.43Å; P851-E854 PolarHBondContact O-N 2.79Å; P851-E855 PolarHBondContact O-N 3.15Å
852	L	98.6	Very high	98.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-43.7	178.5	-173.8	63.1	0	0	0	111.4	K488 D490 Q611 T839 E850 E854 E855 Y856	K488-L852 HydrophobicContact CB-CD2 4.14Å; D490-L852 HydrophobicContact CB-CD1 4.09Å; D490-L852 HydrophobicContact CB-CD2 4.26Å; Q611-L852 HydrophobicContact CB-CD2 4.44Å; T839-L852 HydrophobicContact CG2-CB 4.11Å; T839-L852 HydrophobicContact CG2-CD1 4.13Å; E850-L852 PolarHBondContact O-N 3.15Å; E850-L852 VanDerWaalsContact O-N 3.16Å; L852-E854 VanDerWaalsContact C-N 3.32Å; L852-E854 PolarHBondContact O-N 2.79Å; L852-E855 WeakPolarHBondContact O-CB 3.33Å; L852-E855 PolarHBondContact O-N 3.15Å; L852-Y856 HydrophobicContact CD1-CD2 4.19Å; L852-Y856 HydrophobicContact CD1-CE2 3.89Å; L852-Y856 HydrophobicContact CG-CD2 4.23Å; L852-Y856 HydrophobicContact CG-CE2 4.14Å; L852-Y856 VanDerWaalsContact O-CD2 3.32Å; L852-Y856 WeakPolarHBondContact O-CD2 3.38Å; L852-Y856 PolarHBondContact O-N 3.5Å; L852-Y856 VanDerWaalsContact O-N 3.1Å
853	I	98.3	Very high	98	Very high	30 Å²	30	44.9 Å²	44.9	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-35.6	177.5	-59.1	-57.8	0	0	0	111.1	K488 E850 P851 Y856 S857	K488-I853 HydrophobicContact CD-CD1 4.43Å; E850-I853 HydrophobicContact CB-CB 3.94Å; E850-I853 HydrophobicContact CB-CG1 3.97Å; E850-I853 PolarHBondContact O-N 3.41Å; P851-I853 PolarHBondContact O-N 3.21Å; I853-Y856 PolarHBondContact O-N 3.09Å; I853-S857 WeakPolarHBondContact O-CB 3.46Å; I853-S857 PolarHBondContact O-N 2.85Å; I853-S857 PolarHBondContact O-OG 3.46Å
854	E	98.6	Very high	98	Very high	20 Å²	20	53.5 Å²	53.5	9%	0.093	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-43.6	171.8	172.4	176.4	-175.1	0	0	112.1	L811 H846 F847 T848 E850 P851 L852 S857 I858	L811-E854 HydrophobicContact CD1-CG 4.28Å; H846-E854 WeakPolarHBondContact CB-OE2 3.27Å; H846-E854 IonicContact CD2-OE2 2.71Å; F847-E854 PolarHBondContact N-OE1 2.82Å; F847-E854 VanDerWaalsContact N-OE1 3.15Å; F847-E854 PolarHBondContact N-OE2 3.24Å; F847-E854 VanDerWaalsContact N-OE2 3.09Å; T848-E854 VanDerWaalsContact CB-OE2 3.27Å; T848-E854 WeakPolarHBondContact CB-OE2 3.39Å; T848-E854 HydrophobicContact CG2-CB 4.13Å; T848-E854 HydrophobicContact CG2-CG 4.21Å; T848-E854 VanDerWaalsContact CG2-OE2 3.27Å; T848-E854 WeakPolarHBondContact CG2-OE2 3.3Å; T848-E854 PolarHBondContact N-OE2 2.94Å; T848-E854 WeakPolarHBondContact OG1-CB 3.32Å; T848-E854 PolarHBondContact OG1-OE2 2.79Å; E850-E854 PolarHBondContact O-N 3.21Å; P851-E854 WeakPolarHBondContact O-CB 3.43Å; P851-E854 PolarHBondContact O-N 2.79Å; L852-E854 VanDerWaalsContact C-N 3.32Å; L852-E854 PolarHBondContact O-N 2.79Å; E854-S857 PolarHBondContact O-N 3.28Å; E854-I858 HydrophobicContact CG-CD1 4.01Å; E854-I858 WeakPolarHBondContact O-CG1 3.39Å; E854-I858 PolarHBondContact O-N 2.97Å
855	E	98.6	Very high	98	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-49.3	176	-161.6	74.6	-139.2	0	0	111.6	P810 L811 L837 H846 P851 L852 S857 A859	P810-E855 VanDerWaalsContact CD-OE1 3.25Å; P810-E855 WeakPolarHBondContact CD-OE1 3.46Å; L811-E855 WeakPolarHBondContact CB-OE2 3.32Å; L811-E855 VanDerWaalsContact CD1-OE2 3.29Å; L811-E855 WeakPolarHBondContact CD1-OE2 3.48Å; L811-E855 WeakPolarHBondContact CG-OE1 3.39Å; L811-E855 PolarHBondContact N-OE1 3.24Å; L837-E855 HydrophobicContact CB-CG 4.49Å; L837-E855 HydrophobicContact CD2-CG 4.15Å; H846-E855 IonicContact CD2-OE2 2.76Å; H846-E855 IonicContact CE1-OE2 3.58Å; H846-E855 PolarHBondContact CE1-OE2 3.06Å; H846-E855 VanDerWaalsContact CE1-OE2 3.24Å; H846-E855 IonicContact NE2-OE2 3.62Å; H846-E855 PolarHBondContact NE2-OE2 3.05Å; P851-E855 PolarHBondContact O-N 3.15Å; L852-E855 WeakPolarHBondContact O-CB 3.33Å; L852-E855 PolarHBondContact O-N 3.15Å; E855-S857 VanDerWaalsContact C-N 3.34Å; E855-S857 PolarHBondContact O-N 3.06Å; E855-A859 WeakPolarHBondContact O-CB 3.44Å; E855-A859 PolarHBondContact O-N 2.83Å; E855-A859 VanDerWaalsContact O-N 3.13Å
856	Y	98.7	Very high	97.9	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-41.1	175	-86.4	-94.4	0	0	0	112	F483 L837 L852 I853 A859 A860 L873 A874	F483-Y856 AromaticContact CE2-CD1 3.9Å; F483-Y856 HydrophobicContact CE2-CD1 3.9Å; F483-Y856 HydrophobicContact CE2-CE1 4.02Å; F483-Y856 AromaticContact CZ-CD1 3.48Å; F483-Y856 HydrophobicContact CZ-CD1 3.48Å; F483-Y856 VanDerWaalsContact CZ-CD1 3.48Å; F483-Y856 AromaticContact CZ-CE1 3.96Å; F483-Y856 HydrophobicContact CZ-CE1 3.96Å; F483-Y856 AromaticContact CZ-CG 3.84Å; F483-Y856 HydrophobicContact CZ-CG 3.84Å; L837-Y856 HydrophobicContact CB-CD2 4.35Å; L837-Y856 HydrophobicContact CB-CE2 3.95Å; L837-Y856 HydrophobicContact CD1-CD1 3.79Å; L837-Y856 HydrophobicContact CD1-CD2 4.13Å; L837-Y856 HydrophobicContact CD1-CE1 4.02Å; L837-Y856 HydrophobicContact CD1-CE2 4.34Å; L837-Y856 HydrophobicContact CD1-CG 3.86Å; L852-Y856 HydrophobicContact CD1-CD2 4.19Å; L852-Y856 HydrophobicContact CD1-CE2 3.89Å; L852-Y856 HydrophobicContact CG-CD2 4.23Å; L852-Y856 HydrophobicContact CG-CE2 4.14Å; L852-Y856 VanDerWaalsContact O-CD2 3.32Å; L852-Y856 WeakPolarHBondContact O-CD2 3.38Å; L852-Y856 PolarHBondContact O-N 3.5Å; L852-Y856 VanDerWaalsContact O-N 3.1Å; I853-Y856 PolarHBondContact O-N 3.09Å; Y856-A859 PolarHBondContact O-N 3.36Å; Y856-A860 VanDerWaalsContact O-CB 3.27Å; Y856-A860 WeakPolarHBondContact O-CB 3.36Å; Y856-A860 PolarHBondContact O-N 2.76Å; Y856-L873 HydrophobicContact CE1-CB 3.95Å; Y856-A874 WeakPolarHBondContact OH-CA 3.43Å; Y856-A874 PolarHBondContact OH-N 3.28Å
857	S	98.4	Very high	97.9	Very high	58 Å²	58	58 Å²	58	41%	0.406	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-47.8	-178	-64.1	0	0	0	0	111.2	I853 E854 E855 A860 Q861	I853-S857 WeakPolarHBondContact O-CB 3.46Å; I853-S857 PolarHBondContact O-N 2.85Å; I853-S857 PolarHBondContact O-OG 3.46Å; E854-S857 PolarHBondContact O-N 3.28Å; E855-S857 VanDerWaalsContact C-N 3.34Å; E855-S857 PolarHBondContact O-N 3.06Å; S857-A860 PolarHBondContact O-N 3.18Å; S857-Q861 VanDerWaalsContact O-CG 3.29Å; S857-Q861 WeakPolarHBondContact O-CG 3.35Å; S857-Q861 PolarHBondContact O-N 2.91Å
858	I	98.3	Very high	97.9	Very high	55 Å²	55	51.6 Å²	51.6	28%	0.282	26%	0.263	S	S	.	.	H	α-helix	trans	-66.2	-42.5	-179.5	-65	176.1	0	0	0	110.3	L811 Y820 E854 A860 Q861 V862	L811-I858 HydrophobicContact CD1-CD1 3.83Å; L811-I858 HydrophobicContact CD2-CD1 3.72Å; L811-I858 HydrophobicContact CD2-CG2 4.24Å; L811-I858 HydrophobicContact CG-CD1 4.34Å; Y820-I858 HydrophobicContact CD2-CG2 4.35Å; Y820-I858 HydrophobicContact CE1-CG2 4.26Å; Y820-I858 HydrophobicContact CE2-CG2 3.68Å; E854-I858 HydrophobicContact CG-CD1 4.01Å; E854-I858 WeakPolarHBondContact O-CG1 3.39Å; E854-I858 PolarHBondContact O-N 2.97Å; I858-A860 VanDerWaalsContact C-N 3.32Å; I858-A860 PolarHBondContact O-N 2.59Å; I858-Q861 PolarHBondContact O-N 3.34Å; I858-V862 HydrophobicContact CG2-CG2 4Å; I858-V862 WeakPolarHBondContact O-CB 3.48Å; I858-V862 VanDerWaalsContact O-CG2 3.31Å; I858-V862 WeakPolarHBondContact O-CG2 3.42Å; I858-V862 PolarHBondContact O-N 3.06Å
859	A	98.2	Very high	98	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-45.8	175.9	0	0	0	0	0	111.4	Y820 L837 E855 Y856 Q861 W863 F865	Y820-A859 WeakPolarHBondContact OH-CA 3.17Å; Y820-A859 WeakPolarHBondContact OH-CB 3.22Å; Y820-A859 PolarHBondContact OH-N 2.77Å; L837-A859 HydrophobicContact CD1-CB 3.9Å; L837-A859 HydrophobicContact CD2-CB 4.44Å; E855-A859 WeakPolarHBondContact O-CB 3.44Å; E855-A859 PolarHBondContact O-N 2.83Å; E855-A859 VanDerWaalsContact O-N 3.13Å; Y856-A859 PolarHBondContact O-N 3.36Å; A859-Q861 PolarHBondContact O-N 3.25Å; A859-W863 HydrophobicContact CB-CE3 3.81Å; A859-W863 HydrophobicContact CB-CZ3 3.79Å; A859-W863 PolarHBondContact O-N 3.04Å; A859-F865 HydrophobicContact CB-CD2 4.18Å; A859-F865 HydrophobicContact CB-CE2 3.91Å
860	A	97.8	Very high	98	Very high	12 Å²	12	42.7 Å²	42.7	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-39.5	178.6	0	0	0	0	0	112.9	Y856 S857 I858 K864 F865 M870	Y856-A860 VanDerWaalsContact O-CB 3.27Å; Y856-A860 WeakPolarHBondContact O-CB 3.36Å; Y856-A860 PolarHBondContact O-N 2.76Å; S857-A860 PolarHBondContact O-N 3.18Å; I858-A860 VanDerWaalsContact C-N 3.32Å; I858-A860 PolarHBondContact O-N 2.59Å; A860-K864 CarbonylContact O-C 3.54Å; A860-K864 WeakPolarHBondContact O-CA 3.38Å; A860-K864 PolarHBondContact O-N 3.14Å; A860-F865 HydrophobicContact CB-CB 4.3Å; A860-F865 PolarHBondContact O-N 2.89Å; A860-M870 HydrophobicContact CB-CG 4.47Å; A860-M870 HydrophobicContact CB-SD 3.83Å
861	Q	97.7	Very high	98.1	Very high	157 Å²	157	38.2 Å²	38.2	73%	0.734	20%	0.199	S	C	*	.	H	α-helix	trans	-74.8	-40.2	179.1	-64.3	-54.1	-41.2	0	0	112.9	S857 I858 A859	S857-Q861 VanDerWaalsContact O-CG 3.29Å; S857-Q861 WeakPolarHBondContact O-CG 3.35Å; S857-Q861 PolarHBondContact O-N 2.91Å; I858-Q861 PolarHBondContact O-N 3.34Å; A859-Q861 PolarHBondContact O-N 3.25Å
862	V	97.4	Very high	98.1	Very high	74 Å²	74	37.8 Å²	37.8	45%	0.448	20%	0.196	S	C	.	.	H	α-helix	trans	-74.9	-45.8	-176.8	175.4	0	0	0	0	111.6	Y820 I858	Y820-V862 HydrophobicContact CD1-CB 4.12Å; Y820-V862 HydrophobicContact CD1-CG1 3.78Å; Y820-V862 HydrophobicContact CD1-CG2 4.18Å; Y820-V862 HydrophobicContact CE1-CB 3.91Å; Y820-V862 HydrophobicContact CE1-CG1 4.02Å; Y820-V862 HydrophobicContact CE1-CG2 4.11Å; I858-V862 HydrophobicContact CG2-CG2 4Å; I858-V862 WeakPolarHBondContact O-CB 3.48Å; I858-V862 VanDerWaalsContact O-CG2 3.31Å; I858-V862 WeakPolarHBondContact O-CG2 3.42Å; I858-V862 PolarHBondContact O-N 3.06Å
863	W	97.7	Very high	98.1	Very high	36 Å²	36	37.6 Å²	37.6	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-95.7	-0	-178.8	-63.3	-49.1	0	0	0	114.2	P810 Y820 N823 L825 N826 A859 F865	P810-W863 HydrophobicContact CB-CH2 4.07Å; P810-W863 HydrophobicContact CG-CH2 3.86Å; P810-W863 HydrophobicContact CG-CZ3 4.17Å; Y820-W863 HydrophobicContact CD1-CH2 4.26Å; Y820-W863 AromaticContact CD1-CZ2 3.97Å; Y820-W863 HydrophobicContact CD1-CZ2 3.97Å; Y820-W863 HydrophobicContact CE1-CD2 4.31Å; Y820-W863 HydrophobicContact CE1-CE3 4.21Å; Y820-W863 AromaticContact CE1-CH2 3.62Å; Y820-W863 HydrophobicContact CE1-CH2 3.62Å; Y820-W863 AromaticContact CE1-CZ2 3.71Å; Y820-W863 HydrophobicContact CE1-CZ2 3.71Å; Y820-W863 AromaticContact CE1-CZ3 3.87Å; Y820-W863 HydrophobicContact CE1-CZ3 3.87Å; N823-W863 HydrophobicContact CB-CH2 4.27Å; N823-W863 HydrophobicContact CB-CZ2 3.97Å; L825-W863 HydrophobicContact CB-CH2 3.78Å; L825-W863 HydrophobicContact CB-CZ2 4.49Å; L825-W863 HydrophobicContact CB-CZ3 4.08Å; L825-W863 HydrophobicContact CD1-CH2 4.44Å; L825-W863 HydrophobicContact CD1-CZ3 4.22Å; L825-W863 HydrophobicContact CD2-CE3 4.34Å; L825-W863 HydrophobicContact CD2-CH2 4.45Å; L825-W863 HydrophobicContact CD2-CZ3 3.86Å; L825-W863 HydrophobicContact CG-CH2 4.46Å; L825-W863 HydrophobicContact CG-CZ3 4.29Å; N826-W863 HydrophobicContact CB-CB 4.39Å; N826-W863 HydrophobicContact CB-CD2 3.92Å; N826-W863 HydrophobicContact CB-CG 3.82Å; A859-W863 HydrophobicContact CB-CE3 3.81Å; A859-W863 HydrophobicContact CB-CZ3 3.79Å; A859-W863 PolarHBondContact O-N 3.04Å; W863-F865 VanDerWaalsContact C-N 3.31Å; W863-F865 HydrophobicContact CB-CD1 3.92Å; W863-F865 HydrophobicContact CB-CE1 3.65Å; W863-F865 HydrophobicContact CB-CZ 4.05Å; W863-F865 HydrophobicContact CD2-CZ 4.14Å; W863-F865 HydrophobicContact CE3-CE1 4.27Å; W863-F865 AromaticContact CE3-CE2 3.69Å; W863-F865 HydrophobicContact CE3-CE2 3.69Å; W863-F865 AromaticContact CE3-CZ 3.47Å; W863-F865 HydrophobicContact CE3-CZ 3.47Å; W863-F865 VanDerWaalsContact CE3-CZ 3.47Å; W863-F865 HydrophobicContact CG-CE1 4.38Å; W863-F865 HydrophobicContact CG-CZ 4.42Å; W863-F865 HydrophobicContact CZ3-CE2 4.33Å; W863-F865 HydrophobicContact CZ3-CZ 4.25Å; W863-F865 PolarHBondContact O-N 3.42Å
864	K	97.2	Very high	98.2	Very high	181 Å²	181	36.2 Å²	36.2	79%	0.787	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	43.1	-179.4	-56.1	-177.9	179	-179.5	0	112.5	A860 T866	A860-K864 CarbonylContact O-C 3.54Å; A860-K864 WeakPolarHBondContact O-CA 3.38Å; A860-K864 PolarHBondContact O-N 3.14Å; K864-T866 PolarHBondContact O-N 3.23Å
865	F	97.5	Very high	98.1	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.096	19%	0.189	C	C	.	.			trans	-59.5	136.7	177.3	-70.5	-23	0	0	0	111.5	L825 N826 L829 A859 A860 W863 D869 M870 L873	L825-F865 HydrophobicContact CD2-CE2 4.09Å; L825-F865 HydrophobicContact CD2-CZ 3.73Å; N826-F865 HydrophobicContact CB-CE1 4.43Å; N826-F865 WeakPolarHBondContact OD1-CE1 3.29Å; L829-F865 HydrophobicContact CD2-CE1 4.01Å; L829-F865 HydrophobicContact CD2-CE2 4.48Å; L829-F865 HydrophobicContact CD2-CZ 3.96Å; A859-F865 HydrophobicContact CB-CD2 4.18Å; A859-F865 HydrophobicContact CB-CE2 3.91Å; A860-F865 HydrophobicContact CB-CB 4.3Å; A860-F865 PolarHBondContact O-N 2.89Å; W863-F865 VanDerWaalsContact C-N 3.31Å; W863-F865 HydrophobicContact CB-CD1 3.92Å; W863-F865 HydrophobicContact CB-CE1 3.65Å; W863-F865 HydrophobicContact CB-CZ 4.05Å; W863-F865 HydrophobicContact CD2-CZ 4.14Å; W863-F865 HydrophobicContact CE3-CE1 4.27Å; W863-F865 AromaticContact CE3-CE2 3.69Å; W863-F865 HydrophobicContact CE3-CE2 3.69Å; W863-F865 AromaticContact CE3-CZ 3.47Å; W863-F865 HydrophobicContact CE3-CZ 3.47Å; W863-F865 VanDerWaalsContact CE3-CZ 3.47Å; W863-F865 HydrophobicContact CG-CE1 4.38Å; W863-F865 HydrophobicContact CG-CZ 4.42Å; W863-F865 HydrophobicContact CZ3-CE2 4.33Å; W863-F865 HydrophobicContact CZ3-CZ 4.25Å; W863-F865 PolarHBondContact O-N 3.42Å; F865-D869 HydrophobicContact CB-CB 3.93Å; F865-D869 HydrophobicContact CD1-CB 4.24Å; F865-D869 HydrophobicContact CG-CB 4.12Å; F865-M870 HydrophobicContact CB-CG 4.26Å; F865-L873 HydrophobicContact CD2-CD1 4.09Å; F865-L873 HydrophobicContact CE2-CD1 3.75Å
866	T	97.5	Very high	98.1	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	19%	0.192	C	C	.	.			trans	-73	163.1	170.2	67.4	0	0	0	0	110.1	E468 K864 T868 D869 M870	E468-T866 HydrophobicContact CG-CG2 4.12Å; K864-T866 PolarHBondContact O-N 3.23Å; T866-T868 PolarHBondContact O-N 3.39Å; T866-T868 PolarHBondContact OG1-N 2.88Å; T866-D869 WeakPolarHBondContact CB-OD2 3.48Å; T866-D869 PolarHBondContact N-OD2 3.33Å; T866-D869 PolarHBondContact O-N 3.11Å; T866-D869 VanDerWaalsContact O-N 3.1Å; T866-D869 PolarHBondContact OG1-N 3.25Å; T866-D869 VanDerWaalsContact OG1-N 3.15Å; T866-D869 PolarHBondContact OG1-OD1 3.21Å; T866-D869 PolarHBondContact OG1-OD2 3.31Å; T866-M870 PolarHBondContact O-N 3.48Å; T866-M870 VanDerWaalsContact O-N 3.13Å
867	S	97.4	Very high	98.2	Very high	49 Å²	49	37.2 Å²	37.2	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-55.6	-33.6	170.7	177.3	0	0	0	0	111.9	Q475 C871	Q475-S867 PolarHBondContact NE2-OG 2.77Å; Q475-S867 PolarHBondContact OE1-OG 3.43Å; S867-C871 PolarHBondContact O-N 3.06Å; S867-C871 PolarHBondContact O-SG 2.89Å
868	T	98.3	Very high	98.2	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-66.2	-43.9	176.7	-65.6	0	0	0	0	111.7	Q475 T866 M870 C871 E872 L911 P912 R915	Q475-T868 VanDerWaalsContact CD-OG1 3.29Å; Q475-T868 PolarHBondContact OE1-OG1 2.88Å; T866-T868 PolarHBondContact O-N 3.39Å; T866-T868 PolarHBondContact OG1-N 2.88Å; T868-M870 VanDerWaalsContact C-N 3.35Å; T868-M870 PolarHBondContact O-N 2.94Å; T868-C871 PolarHBondContact O-N 2.74Å; T868-E872 WeakPolarHBondContact O-CB 3.42Å; T868-E872 PolarHBondContact O-N 3.2Å; T868-L911 HydrophobicContact CG2-CD1 3.99Å; T868-P912 HydrophobicContact CG2-CG 4.2Å; T868-R915 HydrophobicContact CG2-CB 3.91Å; T868-R915 HydrophobicContact CG2-CG 4.02Å; T868-R915 VanDerWaalsContact CG2-NH2 3.32Å
869	D	98.5	Very high	98.1	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.08	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-42	177.8	-54.9	-37.3	0	0	0	111.7	L829 F865 T866 C871 E872 L873 R915	L829-D869 HydrophobicContact CD2-CB 4.2Å; F865-D869 HydrophobicContact CB-CB 3.93Å; F865-D869 HydrophobicContact CD1-CB 4.24Å; F865-D869 HydrophobicContact CG-CB 4.12Å; T866-D869 WeakPolarHBondContact CB-OD2 3.48Å; T866-D869 PolarHBondContact N-OD2 3.33Å; T866-D869 PolarHBondContact O-N 3.11Å; T866-D869 VanDerWaalsContact O-N 3.1Å; T866-D869 PolarHBondContact OG1-N 3.25Å; T866-D869 VanDerWaalsContact OG1-N 3.15Å; T866-D869 PolarHBondContact OG1-OD1 3.21Å; T866-D869 PolarHBondContact OG1-OD2 3.31Å; D869-C871 PolarHBondContact O-N 2.9Å; D869-E872 WeakPolarHBondContact O-CB 3.18Å; D869-E872 PolarHBondContact O-N 3.32Å; D869-L873 WeakPolarHBondContact O-CG 3.28Å; D869-L873 PolarHBondContact O-N 3.47Å; D869-R915 IonicContact OD1-CZ 3.53Å; D869-R915 VanDerWaalsContact OD1-CZ 3.29Å; D869-R915 IonicContact OD1-NH1 2.76Å; D869-R915 PolarHBondContact OD1-NH1 3.35Å; D869-R915 IonicContact OD1-NH2 3.34Å; D869-R915 PolarHBondContact OD1-NH2 2.94Å
870	M	98.6	Very high	98.1	Very high	33 Å²	33	34.4 Å²	34.4	16%	0.163	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-40.8	176.2	-60.9	-165.4	-49.4	0	0	112.2	F483 A860 F865 T866 T868 L873 A874	F483-M870 HydrophobicContact CB-CE 4.11Å; F483-M870 HydrophobicContact CD1-CE 4Å; F483-M870 HydrophobicContact CD2-CB 3.74Å; F483-M870 HydrophobicContact CD2-CE 3.91Å; F483-M870 HydrophobicContact CE1-CE 4.44Å; F483-M870 HydrophobicContact CE2-CB 3.61Å; F483-M870 HydrophobicContact CE2-CE 4.38Å; F483-M870 HydrophobicContact CG-CE 3.71Å; F483-M870 HydrophobicContact CZ-CB 4.36Å; A860-M870 HydrophobicContact CB-CG 4.47Å; A860-M870 HydrophobicContact CB-SD 3.83Å; F865-M870 HydrophobicContact CB-CG 4.26Å; T866-M870 PolarHBondContact O-N 3.48Å; T866-M870 VanDerWaalsContact O-N 3.13Å; T868-M870 VanDerWaalsContact C-N 3.35Å; T868-M870 PolarHBondContact O-N 2.94Å; M870-L873 PolarHBondContact O-N 2.53Å; M870-A874 WeakPolarHBondContact O-CB 3.25Å; M870-A874 PolarHBondContact O-N 3.31Å
871	C	98.6	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.8	-33.5	177.2	-62.3	0	0	0	0	111.9	I486 S867 T868 D869 A874 R875 N910	I486-C871 HydrophobicContact CD1-CB 4.09Å; S867-C871 PolarHBondContact O-N 3.06Å; S867-C871 PolarHBondContact O-SG 2.89Å; T868-C871 PolarHBondContact O-N 2.74Å; D869-C871 PolarHBondContact O-N 2.9Å; C871-A874 PolarHBondContact O-N 2.92Å; C871-R875 WeakPolarHBondContact O-CB 3Å; C871-R875 PolarHBondContact O-N 2.83Å; C871-N910 HydrophobicContact CB-CB 4.42Å
872	E	98.8	Very high	98.1	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.051	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-49.2	173.1	-174.4	173.1	-169.5	0	0	110.8	L829 T868 D869 A874 R875 N876 L911 R915 R919	L829-E872 HydrophobicContact CD1-CG 4.34Å; T868-E872 WeakPolarHBondContact O-CB 3.42Å; T868-E872 PolarHBondContact O-N 3.2Å; D869-E872 WeakPolarHBondContact O-CB 3.18Å; D869-E872 PolarHBondContact O-N 3.32Å; E872-A874 VanDerWaalsContact C-N 3.33Å; E872-A874 PolarHBondContact O-N 3.46Å; E872-R875 PolarHBondContact O-N 3.36Å; E872-N876 WeakPolarHBondContact O-CB 3.32Å; E872-N876 PolarHBondContact O-N 3.02Å; E872-N876 PolarHBondContact O-OD1 3.27Å; E872-L911 HydrophobicContact CB-CD1 3.8Å; E872-L911 HydrophobicContact CG-CD1 4.49Å; E872-R915 IonicContact OE2-CZ 3.41Å; E872-R915 IonicContact OE2-NH1 2.69Å; E872-R915 PolarHBondContact OE2-NH1 3.47Å; E872-R919 IonicContact OE1-CZ 2.75Å; E872-R919 IonicContact OE1-NE 3.5Å; E872-R919 PolarHBondContact OE1-NE 3.19Å; E872-R919 IonicContact OE1-NH2 2.66Å; E872-R919 PolarHBondContact OE1-NH2 2.99Å; E872-R919 IonicContact OE2-CZ 3.31Å; E872-R919 IonicContact OE2-NE 3.16Å; E872-R919 IonicContact OE2-NH2 2.8Å; E872-R919 PolarHBondContact OE2-NH2 3.3Å
873	L	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-42.2	175.4	-70.9	169.1	0	0	0	112.3	L829 V835 L837 Y856 F865 D869 M870 N876 S877	L829-L873 HydrophobicContact CD1-CD2 4.06Å; L829-L873 HydrophobicContact CD1-CG 4.39Å; L829-L873 HydrophobicContact CD2-CD1 4.15Å; L829-L873 HydrophobicContact CD2-CD2 4.2Å; L829-L873 HydrophobicContact CD2-CG 4.1Å; V835-L873 HydrophobicContact CG2-CD2 3.82Å; L837-L873 HydrophobicContact CD1-CD1 3.96Å; L837-L873 HydrophobicContact CG-CD1 4.27Å; Y856-L873 HydrophobicContact CE1-CB 3.95Å; F865-L873 HydrophobicContact CD2-CD1 4.09Å; F865-L873 HydrophobicContact CE2-CD1 3.75Å; D869-L873 WeakPolarHBondContact O-CG 3.28Å; D869-L873 PolarHBondContact O-N 3.47Å; M870-L873 PolarHBondContact O-N 2.53Å; L873-N876 PolarHBondContact O-N 2.97Å; L873-S877 PolarHBondContact O-N 3.05Å
874	A	98.8	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-45.6	177.3	0	0	0	0	0	112	I486 K488 Y856 M870 C871 E872 N876 S877 V878	I486-A874 HydrophobicContact CD1-CB 3.53Å; I486-A874 HydrophobicContact CG1-CB 4.38Å; K488-A874 HydrophobicContact CG-CB 3.78Å; Y856-A874 WeakPolarHBondContact OH-CA 3.43Å; Y856-A874 PolarHBondContact OH-N 3.28Å; M870-A874 WeakPolarHBondContact O-CB 3.25Å; M870-A874 PolarHBondContact O-N 3.31Å; C871-A874 PolarHBondContact O-N 2.92Å; E872-A874 VanDerWaalsContact C-N 3.33Å; E872-A874 PolarHBondContact O-N 3.46Å; A874-N876 VanDerWaalsContact C-N 3.31Å; A874-N876 PolarHBondContact O-N 3.31Å; A874-S877 WeakPolarHBondContact O-CB 3.39Å; A874-S877 PolarHBondContact O-N 2.99Å; A874-S877 PolarHBondContact O-OG 2.76Å; A874-V878 PolarHBondContact O-N 3.28Å
875	R	98.6	Very high	97.4	Very high	35 Å²	35	15.2 Å²	15.2	13%	0.132	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-43.4	173.7	-177.4	179.5	178.5	-88.4	-0.2	111	C871 E872 S877 V878 L879 L892 G903 L911	C871-R875 WeakPolarHBondContact O-CB 3Å; C871-R875 PolarHBondContact O-N 2.83Å; E872-R875 PolarHBondContact O-N 3.36Å; R875-S877 VanDerWaalsContact C-N 3.31Å; R875-S877 PolarHBondContact O-N 2.69Å; R875-V878 PolarHBondContact O-N 3.38Å; R875-L879 HydrophobicContact CG-CD1 4.22Å; R875-L879 HydrophobicContact CG-CG 4.49Å; R875-L879 VanDerWaalsContact NH1-CD1 3.31Å; R875-L879 WeakPolarHBondContact O-CG 3.41Å; R875-L879 PolarHBondContact O-N 3Å; R875-L892 HydrophobicContact CG-CD2 4.37Å; R875-G903 PolarHBondContact NH2-O 2.76Å; R875-L911 HydrophobicContact CB-CD2 4.49Å; R875-L911 VanDerWaalsContact CD-CD2 3.47Å
876	N	98.7	Very high	97.1	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-62.1	-40.4	178.7	-69.6	-8.2	0	0	0	112.1	F834 V835 E872 L873 A874 V878 L879 M880	F834-N876 HydrophobicContact CD2-CB 3.92Å; F834-N876 HydrophobicContact CE2-CB 3.61Å; V835-N876 VanDerWaalsContact O-CB 3.22Å; V835-N876 WeakPolarHBondContact O-CB 3.28Å; V835-N876 PolarHBondContact O-ND2 3.33Å; E872-N876 WeakPolarHBondContact O-CB 3.32Å; E872-N876 PolarHBondContact O-N 3.02Å; E872-N876 PolarHBondContact O-OD1 3.27Å; L873-N876 PolarHBondContact O-N 2.97Å; A874-N876 VanDerWaalsContact C-N 3.31Å; A874-N876 PolarHBondContact O-N 3.31Å; N876-V878 VanDerWaalsContact C-N 3.3Å; N876-V878 PolarHBondContact O-N 3.24Å; N876-L879 PolarHBondContact O-N 3.49Å; N876-M880 WeakPolarHBondContact O-CB 3.3Å; N876-M880 PolarHBondContact O-N 3.06Å
877	S	98.8	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-41.6	176	78.9	0	0	0	0	112.3	V489 T491 L873 A874 R875 S881	V489-S877 PolarHBondContact N-OG 2.83Å; V489-S877 VanDerWaalsContact O-CB 3.27Å; V489-S877 WeakPolarHBondContact O-CB 3.35Å; T491-S877 VanDerWaalsContact CG2-O 3.31Å; T491-S877 WeakPolarHBondContact CG2-O 3.48Å; L873-S877 PolarHBondContact O-N 3.05Å; A874-S877 WeakPolarHBondContact O-CB 3.39Å; A874-S877 PolarHBondContact O-N 2.99Å; A874-S877 PolarHBondContact O-OG 2.76Å; R875-S877 VanDerWaalsContact C-N 3.31Å; R875-S877 PolarHBondContact O-N 2.69Å; S877-S881 WeakPolarHBondContact O-CB 3.48Å; S877-S881 PolarHBondContact O-N 3.43Å; S877-S881 VanDerWaalsContact O-N 3.07Å
878	V	98.6	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-67.3	-45	176.3	176	0	0	0	0	111.2	R487 V489 A874 R875 N876 M880 S881 K888 W891 L892	R487-V878 HydrophobicContact CB-CG2 3.74Å; V489-V878 HydrophobicContact CG2-CB 4.44Å; V489-V878 HydrophobicContact CG2-CG2 3.9Å; A874-V878 PolarHBondContact O-N 3.28Å; R875-V878 PolarHBondContact O-N 3.38Å; N876-V878 VanDerWaalsContact C-N 3.3Å; N876-V878 PolarHBondContact O-N 3.24Å; V878-M880 PolarHBondContact O-N 3.37Å; V878-S881 PolarHBondContact O-N 2.69Å; V878-S881 PolarHBondContact O-OG 3.06Å; V878-K888 HydrophobicContact CG1-CG 4.25Å; V878-K888 WeakPolarHBondContact O-CE 3.13Å; V878-K888 PolarHBondContact O-NZ 3.2Å; V878-W891 HydrophobicContact CG1-CE3 3.7Å; V878-W891 HydrophobicContact CG1-CZ3 4.34Å; V878-W891 HydrophobicContact CG2-CE3 4.25Å; V878-L892 HydrophobicContact CB-CD1 4.16Å; V878-L892 HydrophobicContact CB-CD2 4.41Å; V878-L892 HydrophobicContact CB-CG 4.48Å; V878-L892 HydrophobicContact CG1-CD1 3.61Å; V878-L892 HydrophobicContact CG1-CD2 4.21Å; V878-L892 HydrophobicContact CG1-CG 3.81Å
879	L	97.9	Very high	96.5	Very high	41 Å²	41	13.1 Å²	13.1	22%	0.215	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-43.1	-179.2	-71.7	177.3	0	0	0	112	F834 R875 N876 S881 K888 L892 Y896	F834-L879 HydrophobicContact CE2-CB 4.07Å; F834-L879 HydrophobicContact CE2-CD1 4.41Å; F834-L879 HydrophobicContact CZ-CB 3.64Å; R875-L879 HydrophobicContact CG-CD1 4.22Å; R875-L879 HydrophobicContact CG-CG 4.49Å; R875-L879 VanDerWaalsContact NH1-CD1 3.31Å; R875-L879 WeakPolarHBondContact O-CG 3.41Å; R875-L879 PolarHBondContact O-N 3Å; N876-L879 PolarHBondContact O-N 3.49Å; L879-S881 VanDerWaalsContact C-N 3.34Å; L879-K888 PolarHBondContact O-NZ 3.41Å; L879-L892 HydrophobicContact CD2-CD1 3.62Å; L879-L892 HydrophobicContact CG-CD1 4.05Å; L879-Y896 HydrophobicContact CD2-CD2 3.91Å; L879-Y896 HydrophobicContact CD2-CE2 4.49Å
880	M	97.6	Very high	96.3	Very high	12 Å²	12	12.6 Å²	12.6	6%	0.059	7%	0.066	C	C	.	.	H	α-helix	trans	-73.1	-23.1	179.2	-177.6	166.4	55.1	0	0	113.7	T491 G805 A807 F834 S836 N876 V878	T491-M880 HydrophobicContact CG2-CE 3.85Å; G805-M880 VanDerWaalsContact C-SD 3.58Å; G805-M880 WeakPolarHBondContact CA-SD 3.16Å; A807-M880 HydrophobicContact CB-CE 3.86Å; F834-M880 HydrophobicContact CE1-CB 4.05Å; F834-M880 HydrophobicContact CZ-CB 3.93Å; S836-M880 WeakPolarHBondContact OG-CE 3.39Å; N876-M880 WeakPolarHBondContact O-CB 3.3Å; N876-M880 PolarHBondContact O-N 3.06Å; V878-M880 PolarHBondContact O-N 3.37Å
881	S	98.2	Very high	96.2	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	-65	158.6	-178.5	73.3	0	0	0	0	113.5	S877 V878 L879 F883 K888	S877-S881 WeakPolarHBondContact O-CB 3.48Å; S877-S881 PolarHBondContact O-N 3.43Å; S877-S881 VanDerWaalsContact O-N 3.07Å; V878-S881 PolarHBondContact O-N 2.69Å; V878-S881 PolarHBondContact O-OG 3.06Å; L879-S881 VanDerWaalsContact C-N 3.34Å; S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.5Å; S881-F883 WeakPolarHBondContact OG-CD2 3.08Å; S881-K888 VanDerWaalsContact O-CE 3.24Å; S881-K888 WeakPolarHBondContact O-CE 3.48Å; S881-K888 PolarHBondContact O-NZ 2.97Å
882	G	96.4	Very high	96.1	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.031	6%	0.062	C	C	.	.			trans	-87.1	13.1	176	0	0	0	0	0	115	Y325 E614 T698	Y325-G882 WeakPolarHBondContact OH-CA 3.45Å; E614-G882 WeakPolarHBondContact OE1-CA 3.27Å; E614-G882 PolarHBondContact OE1-N 3.08Å; T698-G882 WeakPolarHBondContact CG2-O 3.29Å
883	F	96.7	Very high	95.7	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	6%	0.061	C	C	.	.			trans	-62	148	174	-74.9	-92.6	0	0	0	111.1	V489 N612 E614 D642 N643 R645 S881 I887 K888 W891	V489-F883 HydrophobicContact CG1-CD2 4.45Å; V489-F883 HydrophobicContact CG1-CE2 3.87Å; V489-F883 HydrophobicContact CG2-CE2 4.35Å; N612-F883 HydrophobicContact CB-CE2 4.06Å; N612-F883 HydrophobicContact CB-CZ 3.78Å; E614-F883 HydrophobicContact CG-CE2 4.37Å; D642-F883 WeakPolarHBondContact O-CE1 3.48Å; N643-F883 WeakPolarHBondContact O-CZ 3.36Å; R645-F883 HydrophobicContact CG-CD1 3.73Å; R645-F883 HydrophobicContact CG-CD2 4.06Å; R645-F883 HydrophobicContact CG-CE1 3.63Å; R645-F883 HydrophobicContact CG-CE2 3.96Å; R645-F883 HydrophobicContact CG-CG 3.94Å; R645-F883 HydrophobicContact CG-CZ 3.73Å; S881-F883 VanDerWaalsContact C-N 3.31Å; S881-F883 PolarHBondContact O-N 3.5Å; S881-F883 WeakPolarHBondContact OG-CD2 3.08Å; F883-I887 HydrophobicContact CB-CB 4.49Å; F883-I887 HydrophobicContact CB-CG2 4.24Å; F883-I887 HydrophobicContact CD1-CD1 4.14Å; F883-I887 HydrophobicContact CD1-CG2 4.07Å; F883-I887 HydrophobicContact CG-CG2 4.48Å; F883-K888 HydrophobicContact CB-CG 4.4Å; F883-K888 WeakPolarHBondContact O-CE 3.47Å; F883-W891 HydrophobicContact CB-CH2 4.36Å; F883-W891 HydrophobicContact CB-CZ3 4.15Å; F883-W891 AromaticContact CD1-CH2 3.49Å; F883-W891 HydrophobicContact CD1-CH2 3.49Å; F883-W891 VanDerWaalsContact CD1-CH2 3.49Å; F883-W891 HydrophobicContact CD1-CZ2 4.21Å; F883-W891 HydrophobicContact CD1-CZ3 4.12Å; F883-W891 AromaticContact CD2-CH2 3.87Å; F883-W891 HydrophobicContact CD2-CH2 3.87Å; F883-W891 AromaticContact CD2-CZ3 3.86Å; F883-W891 HydrophobicContact CD2-CZ3 3.86Å; F883-W891 AromaticContact CE1-CH2 3.64Å; F883-W891 HydrophobicContact CE1-CH2 3.64Å; F883-W891 HydrophobicContact CE1-CZ2 4.33Å; F883-W891 HydrophobicContact CE2-CH2 4.02Å; F883-W891 HydrophobicContact CE2-CZ3 4.32Å; F883-W891 AromaticContact CG-CH2 3.62Å; F883-W891 HydrophobicContact CG-CH2 3.62Å; F883-W891 AromaticContact CG-CZ3 3.77Å; F883-W891 HydrophobicContact CG-CZ3 3.77Å; F883-W891 AromaticContact CZ-CH2 3.92Å; F883-W891 HydrophobicContact CZ-CH2 3.92Å
884	S	92.3	Very high	95.3	Very high	27 Å²	27	12 Å²	12	19%	0.189	7%	0.065	C	C	.	.			trans	-61.7	153.1	-176.4	69.5	0	0	0	0	112.5	L886 I887 K888	S884-L886 PolarHBondContact O-N 3.43Å; S884-I887 PolarHBondContact O-N 3.41Å; S884-I887 WeakPolarHBondContact OG-CG1 3.12Å; S884-I887 PolarHBondContact OG-N 2.96Å; S884-K888 PolarHBondContact O-N 2.82Å
885	P	89.5	Confident	95	Very high	23 Å²	23	13.5 Å²	13.5	15%	0.149	7%	0.073	C	C	.	.	H	α-helix	trans	-55.6	-36.5	176	-28.1	35.7	0	0	0	113.6	Y325 K888 S889 Y896	Y325-P885 HydrophobicContact CG-CG 4.5Å; P885-K888 PolarHBondContact O-N 2.86Å; P885-S889 WeakPolarHBondContact O-CB 3.36Å; P885-S889 PolarHBondContact O-N 3.05Å; P885-Y896 VanDerWaalsContact CA-OH 3.27Å; P885-Y896 WeakPolarHBondContact CA-OH 3.49Å; P885-Y896 WeakPolarHBondContact CB-OH 3.32Å
886	L	89.9	Confident	94.7	Very high	25 Å²	25	12.3 Å²	12.3	13%	0.131	7%	0.068	C	C	.	.	H	α-helix	trans	-61.1	-46	174.9	178	63.8	0	0	0	111.6	Y334 S884 S889 H890	Y334-L886 HydrophobicContact CD2-CD1 3.92Å; S884-L886 PolarHBondContact O-N 3.43Å; L886-S889 PolarHBondContact O-N 2.79Å; L886-S889 PolarHBondContact O-OG 3.46Å; L886-H890 PolarHBondContact O-CD2 2.97Å; L886-H890 PolarHBondContact O-N 3.18Å
887	I	93.3	Very high	94.4	Very high	21 Å²	21	14.1 Å²	14.1	11%	0.108	8%	0.08	C	C	.	.	H	α-helix	trans	-64.9	-45.2	177.8	-69.3	170.8	0	0	0	110.2	P351 F883 S884 S889 H890 W891	P351-I887 HydrophobicContact CB-CG1 4.47Å; F883-I887 HydrophobicContact CB-CB 4.49Å; F883-I887 HydrophobicContact CB-CG2 4.24Å; F883-I887 HydrophobicContact CD1-CD1 4.14Å; F883-I887 HydrophobicContact CD1-CG2 4.07Å; F883-I887 HydrophobicContact CG-CG2 4.48Å; S884-I887 PolarHBondContact O-N 3.41Å; S884-I887 WeakPolarHBondContact OG-CG1 3.12Å; S884-I887 PolarHBondContact OG-N 2.96Å; I887-S889 VanDerWaalsContact C-N 3.28Å; I887-S889 PolarHBondContact O-N 3.45Å; I887-H890 PolarHBondContact O-N 3.21Å; I887-W891 HydrophobicContact CG2-CD2 3.67Å; I887-W891 HydrophobicContact CG2-CE3 4.05Å; I887-W891 HydrophobicContact CG2-CG 4.3Å; I887-W891 HydrophobicContact CG2-CH2 3.73Å; I887-W891 HydrophobicContact CG2-CZ2 3.29Å; I887-W891 HydrophobicContact CG2-CZ3 4.08Å; I887-W891 VanDerWaalsContact O-CG 3.26Å; I887-W891 PolarHBondContact O-N 3.35Å; I887-W891 VanDerWaalsContact O-N 3.08Å
888	K	95.6	Very high	94	Very high	14 Å²	14	18 Å²	18	6%	0.061	10%	0.098	C	C	.	.	H	α-helix	trans	-61.8	-33.9	178.1	-69.1	-175.9	-178.2	-177.5	0	112.4	V878 L879 S881 F883 S884 P885 W891 L892 Y896	V878-K888 HydrophobicContact CG1-CG 4.25Å; V878-K888 WeakPolarHBondContact O-CE 3.13Å; V878-K888 PolarHBondContact O-NZ 3.2Å; L879-K888 PolarHBondContact O-NZ 3.41Å; S881-K888 VanDerWaalsContact O-CE 3.24Å; S881-K888 WeakPolarHBondContact O-CE 3.48Å; S881-K888 PolarHBondContact O-NZ 2.97Å; F883-K888 HydrophobicContact CB-CG 4.4Å; F883-K888 WeakPolarHBondContact O-CE 3.47Å; S884-K888 PolarHBondContact O-N 2.82Å; P885-K888 PolarHBondContact O-N 2.86Å; K888-W891 PolarHBondContact O-N 3.18Å; K888-L892 PolarHBondContact O-N 2.99Å; K888-Y896 HydrophobicContact CB-CD1 4.33Å; K888-Y896 HydrophobicContact CB-CD2 4.35Å; K888-Y896 HydrophobicContact CB-CE1 3.79Å; K888-Y896 HydrophobicContact CB-CE2 3.85Å; K888-Y896 HydrophobicContact CD-CE2 3.92Å
889	S	93.7	Very high	93.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.1	-36	177	75.9	0	0	0	0	112.9	Y334 P885 L886 I887 G893	Y334-S889 WeakPolarHBondContact CE2-OG 3.09Å; P885-S889 WeakPolarHBondContact O-CB 3.36Å; P885-S889 PolarHBondContact O-N 3.05Å; L886-S889 PolarHBondContact O-N 2.79Å; L886-S889 PolarHBondContact O-OG 3.46Å; I887-S889 VanDerWaalsContact C-N 3.28Å; I887-S889 PolarHBondContact O-N 3.45Å; S889-G893 CarbonylContact O-C 3.44Å; S889-G893 WeakPolarHBondContact O-CA 3.33Å; S889-G893 PolarHBondContact O-N 3.46Å
890	H	93.7	Very high	93.4	Very high	5 Å²	5	17.4 Å²	17.4	2%	0.023	10%	0.097	C	C	.	.	H	α-helix	trans	-66.4	-42.2	170.2	-69.7	-70.7	0	0	0	111.3	H347 P348 I349 P351 L886 I887 R908	H347-H890 AromaticContact CE1-CE1 3.62Å; H347-H890 AromaticContact CE1-CG 3.86Å; H347-H890 AromaticContact CE1-ND1 3.26Å; H347-H890 PolarHBondContact CE1-ND1 3.28Å; H347-H890 VanDerWaalsContact CE1-ND1 3.26Å; H347-H890 AromaticContact ND1-ND1 3.79Å; P348-H890 PolarHBondContact O-ND1 3.14Å; I349-H890 CarbonylContact O-C 3.44Å; P351-H890 HydrophobicContact CB-CB 4.4Å; L886-H890 PolarHBondContact O-CD2 2.97Å; L886-H890 PolarHBondContact O-N 3.18Å; I887-H890 PolarHBondContact O-N 3.21Å; H890-R908 PolarHBondContact O-NH1 2.97Å
891	W	96.6	Very high	93.2	Very high	8 Å²	8	17 Å²	17	3%	0.03	10%	0.095	C	C	.	.	H	α-helix	trans	-72.2	-42.4	-174.1	-70.8	3.2	0	0	0	114.5	R487 V489 N612 V878 F883 I887 K888	R487-W891 HydrophobicContact CB-CB 4.45Å; R487-W891 HydrophobicContact CB-CD2 4.27Å; R487-W891 HydrophobicContact CB-CE3 4.27Å; R487-W891 HydrophobicContact CB-CG 4.39Å; R487-W891 HydrophobicContact CG-CB 3.78Å; R487-W891 HydrophobicContact CG-CD2 3.83Å; R487-W891 HydrophobicContact CG-CE3 4.33Å; R487-W891 HydrophobicContact CG-CG 3.58Å; V489-W891 HydrophobicContact CG2-CZ3 4.03Å; N612-W891 HydrophobicContact CB-CH2 4.18Å; N612-W891 VanDerWaalsContact CG-CH2 3.49Å; N612-W891 WeakPolarHBondContact OD1-CH2 3.49Å; N612-W891 WeakPolarHBondContact OD1-CZ2 3.13Å; V878-W891 HydrophobicContact CG1-CE3 3.7Å; V878-W891 HydrophobicContact CG1-CZ3 4.34Å; V878-W891 HydrophobicContact CG2-CE3 4.25Å; F883-W891 HydrophobicContact CB-CH2 4.36Å; F883-W891 HydrophobicContact CB-CZ3 4.15Å; F883-W891 AromaticContact CD1-CH2 3.49Å; F883-W891 HydrophobicContact CD1-CH2 3.49Å; F883-W891 VanDerWaalsContact CD1-CH2 3.49Å; F883-W891 HydrophobicContact CD1-CZ2 4.21Å; F883-W891 HydrophobicContact CD1-CZ3 4.12Å; F883-W891 AromaticContact CD2-CH2 3.87Å; F883-W891 HydrophobicContact CD2-CH2 3.87Å; F883-W891 AromaticContact CD2-CZ3 3.86Å; F883-W891 HydrophobicContact CD2-CZ3 3.86Å; F883-W891 AromaticContact CE1-CH2 3.64Å; F883-W891 HydrophobicContact CE1-CH2 3.64Å; F883-W891 HydrophobicContact CE1-CZ2 4.33Å; F883-W891 HydrophobicContact CE2-CH2 4.02Å; F883-W891 HydrophobicContact CE2-CZ3 4.32Å; F883-W891 AromaticContact CG-CH2 3.62Å; F883-W891 HydrophobicContact CG-CH2 3.62Å; F883-W891 AromaticContact CG-CZ3 3.77Å; F883-W891 HydrophobicContact CG-CZ3 3.77Å; F883-W891 AromaticContact CZ-CH2 3.92Å; F883-W891 HydrophobicContact CZ-CH2 3.92Å; I887-W891 HydrophobicContact CG2-CD2 3.67Å; I887-W891 HydrophobicContact CG2-CE3 4.05Å; I887-W891 HydrophobicContact CG2-CG 4.3Å; I887-W891 HydrophobicContact CG2-CH2 3.73Å; I887-W891 HydrophobicContact CG2-CZ2 3.29Å; I887-W891 HydrophobicContact CG2-CZ3 4.08Å; I887-W891 VanDerWaalsContact O-CG 3.26Å; I887-W891 PolarHBondContact O-N 3.35Å; I887-W891 VanDerWaalsContact O-N 3.08Å; K888-W891 PolarHBondContact O-N 3.18Å
892	L	95.5	Very high	92.8	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.042	10%	0.101	C	C	.	.	H	α-helix	trans	-114.3	-8.7	-173.8	-61.2	-177.4	0	0	0	113.4	R875 V878 L879 K888 Y896 R908	R875-L892 HydrophobicContact CG-CD2 4.37Å; V878-L892 HydrophobicContact CB-CD1 4.16Å; V878-L892 HydrophobicContact CB-CD2 4.41Å; V878-L892 HydrophobicContact CB-CG 4.48Å; V878-L892 HydrophobicContact CG1-CD1 3.61Å; V878-L892 HydrophobicContact CG1-CD2 4.21Å; V878-L892 HydrophobicContact CG1-CG 3.81Å; L879-L892 HydrophobicContact CD2-CD1 3.62Å; L879-L892 HydrophobicContact CG-CD1 4.05Å; K888-L892 PolarHBondContact O-N 2.99Å; L892-Y896 HydrophobicContact CB-CG 4.25Å; L892-Y896 HydrophobicContact CD1-CD2 4.28Å; L892-Y896 HydrophobicContact CD1-CG 4.48Å; L892-R908 VanDerWaalsContact C-CD 3.46Å
893	G	91.7	Very high	92.6	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	10%	0.1	C	C	.	.			trans	103.2	154.3	-175.7	0	0	0	0	0	111.6	S889 N895 Y896 R908	S889-G893 CarbonylContact O-C 3.44Å; S889-G893 WeakPolarHBondContact O-CA 3.33Å; S889-G893 PolarHBondContact O-N 3.46Å; G893-N895 PolarHBondContact O-N 2.97Å; G893-N895 VanDerWaalsContact O-N 3.14Å; G893-Y896 WeakPolarHBondContact O-CB 3.31Å; G893-Y896 WeakPolarHBondContact O-CD1 3.45Å; G893-Y896 PolarHBondContact O-N 3.18Å; G893-Y896 VanDerWaalsContact O-N 3.14Å; G893-R908 VanDerWaalsContact CA-CD 3.45Å
894	P	90.5	Very high	92.5	Very high	14 Å²	14	18.8 Å²	18.8	9%	0.091	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.6	-175.8	26.1	-35.5	0	0	0	114	Y334 L344	Y334-P894 PolarHBondContact OH-O 3.44Å; L344-P894 HydrophobicContact CD1-CG 3.11Å
895	N	90.8	Very high	92.6	Very high	31 Å²	31	19.4 Å²	19.4	17%	0.166	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.5	179.4	-60.8	-25.1	0	0	0	113.6	P303 G893 T897 Q898 G903	P303-N895 WeakPolarHBondContact CG-ND2 3.42Å; G893-N895 PolarHBondContact O-N 2.97Å; G893-N895 VanDerWaalsContact O-N 3.14Å; N895-T897 PolarHBondContact O-N 3.33Å; N895-Q898 HydrophobicContact CB-CG 4.26Å; N895-Q898 VanDerWaalsContact O-CB 3.3Å; N895-Q898 WeakPolarHBondContact O-CB 3.49Å; N895-Q898 WeakPolarHBondContact O-CG 3.46Å; N895-Q898 PolarHBondContact O-N 3.42Å; N895-G903 WeakPolarHBondContact O-CA 3.45Å
896	Y	93	Very high	92.8	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.039	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.6	-172.8	84.7	-85	0	0	0	114.7	L879 P885 K888 L892 G893 Q898	L879-Y896 HydrophobicContact CD2-CD2 3.91Å; L879-Y896 HydrophobicContact CD2-CE2 4.49Å; P885-Y896 VanDerWaalsContact CA-OH 3.27Å; P885-Y896 WeakPolarHBondContact CA-OH 3.49Å; P885-Y896 WeakPolarHBondContact CB-OH 3.32Å; K888-Y896 HydrophobicContact CB-CD1 4.33Å; K888-Y896 HydrophobicContact CB-CD2 4.35Å; K888-Y896 HydrophobicContact CB-CE1 3.79Å; K888-Y896 HydrophobicContact CB-CE2 3.85Å; K888-Y896 HydrophobicContact CD-CE2 3.92Å; L892-Y896 HydrophobicContact CB-CG 4.25Å; L892-Y896 HydrophobicContact CD1-CD2 4.28Å; L892-Y896 HydrophobicContact CD1-CG 4.48Å; G893-Y896 WeakPolarHBondContact O-CB 3.31Å; G893-Y896 WeakPolarHBondContact O-CD1 3.45Å; G893-Y896 PolarHBondContact O-N 3.18Å; G893-Y896 VanDerWaalsContact O-N 3.14Å; Y896-Q898 VanDerWaalsContact C-N 3.32Å
897	T	91.2	Very high	93	Very high	49 Å²	49	21.6 Å²	21.6	30%	0.301	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.2	176.5	57.1	0	0	0	0	113.7	Y323 N895	Y323-T897 HydrophobicContact CD2-CG2 4.41Å; Y323-T897 HydrophobicContact CE2-CG2 4.04Å; N895-T897 PolarHBondContact O-N 3.33Å
898	Q	92.1	Very high	93.1	Very high	82 Å²	82	21.2 Å²	21.2	38%	0.383	12%	0.115	S	C	.	.	S	Bend	trans	-72.2	156.2	175.6	-62.7	-62.7	-25	0	0	111	N895 Y896 M902 G903	N895-Q898 HydrophobicContact CB-CG 4.26Å; N895-Q898 VanDerWaalsContact O-CB 3.3Å; N895-Q898 WeakPolarHBondContact O-CB 3.49Å; N895-Q898 WeakPolarHBondContact O-CG 3.46Å; N895-Q898 PolarHBondContact O-N 3.42Å; Y896-Q898 VanDerWaalsContact C-N 3.32Å; Q898-M902 HydrophobicContact CB-CB 3.9Å; Q898-G903 WeakPolarHBondContact O-CA 3.32Å
899	E	91.6	Very high	93.1	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.079	11%	0.114	C	C	.	.	S	Bend	trans	-79.9	158.7	177.1	-68.5	-175	-144.1	0	0	112.2	C273 T274 R277 Y297 F920	C273-E899 HydrophobicContact CB-CG 4.34Å; C273-E899 WeakPolarHBondContact SG-CG 3.5Å; T274-E899 VanDerWaalsContact CA-OE2 3.26Å; T274-E899 WeakPolarHBondContact CA-OE2 3.49Å; T274-E899 VanDerWaalsContact CB-OE2 3.23Å; T274-E899 WeakPolarHBondContact CB-OE2 3.44Å; T274-E899 WeakPolarHBondContact CG2-OE2 3.29Å; T274-E899 PolarHBondContact N-OE1 3.48Å; T274-E899 PolarHBondContact OG1-OE2 2.95Å; R277-E899 IonicContact CZ-OE1 3.14Å; R277-E899 IonicContact CZ-OE2 3.9Å; R277-E899 IonicContact NE-OE1 3.49Å; R277-E899 PolarHBondContact NE-OE1 3.43Å; R277-E899 VanDerWaalsContact NE-OE1 3.07Å; R277-E899 IonicContact NE-OE2 4Å; R277-E899 PolarHBondContact NE-OE2 3.32Å; R277-E899 IonicContact NH2-OE1 3.09Å; R277-E899 IonicContact NH2-OE2 3.35Å; R277-E899 PolarHBondContact NH2-OE2 2.76Å; Y297-E899 HydrophobicContact CD1-CB 3.85Å; Y297-E899 HydrophobicContact CD2-CB 4.06Å; Y297-E899 HydrophobicContact CE1-CB 4.07Å; Y297-E899 HydrophobicContact CE2-CB 4.24Å; Y297-E899 HydrophobicContact CG-CB 3.87Å; E899-F920 HydrophobicContact CB-CE2 3.86Å; E899-F920 HydrophobicContact CB-CZ 4.28Å
900	G	92.2	Very high	93.3	Very high	10 Å²	10	21 Å²	21	10%	0.103	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	58.1	-140.8	171.9	0	0	0	0	0	113.9	M902 G903 V916	G900-M902 VanDerWaalsContact C-N 3.31Å; G900-M902 PolarHBondContact O-N 3.11Å; G900-G903 PolarHBondContact O-N 3.24Å; G900-V916 VanDerWaalsContact C-CG1 3.48Å; G900-V916 WeakPolarHBondContact O-CG1 3.43Å
901	V	93	Very high	93.5	Very high	4 Å²	4	21 Å²	21	2%	0.024	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-67.3	-33.6	-174.9	179.2	0	0	0	0	111.3	V226 Y297 I300 G903 N904 N913 A917	V226-V901 HydrophobicContact CG2-CB 4.38Å; V226-V901 HydrophobicContact CG2-CG1 3.8Å; V226-V901 HydrophobicContact CG2-CG2 3.77Å; Y297-V901 PolarHBondContact O-N 3.33Å; I300-V901 HydrophobicContact CG1-CG1 4.33Å; V901-G903 PolarHBondContact O-N 3.32Å; V901-N904 PolarHBondContact O-N 3.22Å; V901-N913 HydrophobicContact CG1-CB 3.89Å; V901-A917 HydrophobicContact CG2-CB 3.69Å
902	M	89.8	Confident	93.5	Very high	29 Å²	29	20.6 Å²	20.6	14%	0.143	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-60.9	-28.2	177.6	-67.9	-173.3	73.1	0	0	113.1	Q296 Y297 Q898 G900 N904	Q296-M902 HydrophobicContact CG-SD 3.78Å; Y297-M902 HydrophobicContact CD1-SD 3.9Å; Y297-M902 HydrophobicContact CE1-SD 4.38Å; Q898-M902 HydrophobicContact CB-CB 3.9Å; G900-M902 VanDerWaalsContact C-N 3.31Å; G900-M902 PolarHBondContact O-N 3.11Å; M902-N904 VanDerWaalsContact C-N 3.27Å; M902-N904 PolarHBondContact O-N 2.74Å
903	G	91.9	Very high	93.5	Very high	2 Å²	2	21 Å²	21	2%	0.021	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-83.8	7.9	175.8	0	0	0	0	0	114.9	R875 N895 Q898 G900 V901	R875-G903 PolarHBondContact NH2-O 2.76Å; N895-G903 WeakPolarHBondContact O-CA 3.45Å; Q898-G903 WeakPolarHBondContact O-CA 3.32Å; G900-G903 PolarHBondContact O-N 3.24Å; V901-G903 PolarHBondContact O-N 3.32Å
904	N	94.9	Very high	93.8	Very high	14 Å²	14	21.4 Å²	21.4	8%	0.075	12%	0.117	C	C	.	.			trans	-125.9	129.9	-179.2	-175.5	61.8	0	0	0	112.1	V901 M902 S909 L911 N913 V916	V901-N904 PolarHBondContact O-N 3.22Å; M902-N904 VanDerWaalsContact C-N 3.27Å; M902-N904 PolarHBondContact O-N 2.74Å; N904-S909 PolarHBondContact OD1-OG 2.77Å; N904-L911 PolarHBondContact ND2-O 3.37Å; N904-N913 PolarHBondContact ND2-OD1 3.38Å; N904-V916 HydrophobicContact CB-CB 4.45Å; N904-V916 HydrophobicContact CB-CG1 4.21Å; N904-V916 HydrophobicContact CB-CG2 3.87Å
905	D	93.5	Very high	94.1	Very high	39 Å²	39	20.8 Å²	20.8	21%	0.209	11%	0.113	C	C	.	.			trans	-118.9	104.8	171.4	178.2	-1	0	0	0	108.7	T907 R908 S909	D905-T907 PolarHBondContact O-N 3.25Å; D905-T907 VanDerWaalsContact O-N 3.16Å; D905-T907 VanDerWaalsContact OD1-CB 3.31Å; D905-T907 WeakPolarHBondContact OD1-CB 3.47Å; D905-T907 WeakPolarHBondContact OD1-CG2 3.25Å; D905-T907 PolarHBondContact OD1-N 3.05Å; D905-T907 PolarHBondContact OD1-OG1 2.9Å; D905-T907 PolarHBondContact OD2-OG1 3.23Å; D905-T907 VanDerWaalsContact OD2-OG1 3.14Å; D905-R908 HydrophobicContact CB-CB 4.43Å; D905-R908 HydrophobicContact CB-CG 4.48Å; D905-R908 PolarHBondContact O-N 3.03Å; D905-R908 VanDerWaalsContact OD2-CD 3.31Å; D905-R908 WeakPolarHBondContact OD2-CD 3.34Å; D905-R908 WeakPolarHBondContact OD2-CG 3.28Å; D905-R908 IonicContact OD2-NE 3.85Å; D905-R908 PolarHBondContact OD2-NE 3.32Å; D905-R908 VanDerWaalsContact OD2-NE 3.14Å; D905-S909 PolarHBondContact O-N 3.44Å; D905-S909 PolarHBondContact O-OG 3.09Å; D905-S909 VanDerWaalsContact O-OG 3.11Å
906	I	94.5	Very high	94.4	Very high	24 Å²	24	19.9 Å²	19.9	12%	0.123	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-27.6	-179.9	-167.7	175.9	0	0	0	112.2	E474 V478 R908 N910	E474-I906 HydrophobicContact CB-CD1 4.21Å; E474-I906 HydrophobicContact CG-CD1 3.66Å; V478-I906 HydrophobicContact CB-CD1 4.47Å; V478-I906 HydrophobicContact CB-CG1 4.39Å; V478-I906 HydrophobicContact CG1-CD1 4.38Å; V478-I906 HydrophobicContact CG1-CG1 4.28Å; V478-I906 HydrophobicContact CG2-CG2 4.48Å; I906-R908 PolarHBondContact O-N 2.89Å; I906-R908 VanDerWaalsContact O-N 3.11Å; I906-N910 VanDerWaalsContact O-CA 3.32Å; I906-N910 WeakPolarHBondContact O-CA 3.3Å; I906-N910 PolarHBondContact O-N 2.82Å
907	T	94	Very high	94.6	Very high	71 Å²	71	19.4 Å²	19.4	44%	0.436	11%	0.107	S	C	.	.	H	α-helix	trans	-68.2	-9.9	176.8	77.8	0	0	0	0	113	V478 R481 D905	V478-T907 HydrophobicContact CG2-CG2 4.15Å; R481-T907 VanDerWaalsContact CZ-O 3.27Å; R481-T907 PolarHBondContact NE-O 2.77Å; R481-T907 PolarHBondContact NH2-O 2.81Å; D905-T907 PolarHBondContact O-N 3.25Å; D905-T907 VanDerWaalsContact O-N 3.16Å; D905-T907 VanDerWaalsContact OD1-CB 3.31Å; D905-T907 WeakPolarHBondContact OD1-CB 3.47Å; D905-T907 WeakPolarHBondContact OD1-CG2 3.25Å; D905-T907 PolarHBondContact OD1-N 3.05Å; D905-T907 PolarHBondContact OD1-OG1 2.9Å; D905-T907 PolarHBondContact OD2-OG1 3.23Å; D905-T907 VanDerWaalsContact OD2-OG1 3.14Å
908	R	94.4	Very high	94.9	Very high	13 Å²	13	17.7 Å²	17.7	5%	0.049	10%	0.095	C	C	.	.	H	α-helix	trans	-119.3	-42.7	178.3	-64.6	-179.2	-170.1	-97.7	-7.2	113.1	H347 P348 R481 H890 L892 G893 D905 I906	H347-R908 PolarHBondContact O-NH2 2.83Å; P348-R908 PolarHBondContact O-NH1 3.04Å; R481-R908 PolarHBondContact NE-O 3.12Å; H890-R908 PolarHBondContact O-NH1 2.97Å; L892-R908 VanDerWaalsContact C-CD 3.46Å; G893-R908 VanDerWaalsContact CA-CD 3.45Å; D905-R908 HydrophobicContact CB-CB 4.43Å; D905-R908 HydrophobicContact CB-CG 4.48Å; D905-R908 PolarHBondContact O-N 3.03Å; D905-R908 VanDerWaalsContact OD2-CD 3.31Å; D905-R908 WeakPolarHBondContact OD2-CD 3.34Å; D905-R908 WeakPolarHBondContact OD2-CG 3.28Å; D905-R908 IonicContact OD2-NE 3.85Å; D905-R908 PolarHBondContact OD2-NE 3.32Å; D905-R908 VanDerWaalsContact OD2-NE 3.14Å; I906-R908 PolarHBondContact O-N 2.89Å; I906-R908 VanDerWaalsContact O-N 3.11Å
909	S	96.2	Very high	95.2	Very high	5 Å²	5	15.4 Å²	15.4	4%	0.035	8%	0.083	C	C	.	.	H	α-helix	trans	-90.4	-18.6	-176.2	69.2	0	0	0	0	114.1	I486 N904 D905 L911	I486-S909 WeakPolarHBondContact CG2-O 3.46Å; N904-S909 PolarHBondContact OD1-OG 2.77Å; D905-S909 PolarHBondContact O-N 3.44Å; D905-S909 PolarHBondContact O-OG 3.09Å; D905-S909 VanDerWaalsContact O-OG 3.11Å; S909-L911 PolarHBondContact O-N 3.49Å; S909-L911 WeakPolarHBondContact OG-CB 3.41Å; S909-L911 PolarHBondContact OG-N 3.34Å; S909-L911 VanDerWaalsContact OG-N 3.1Å
910	N	97.8	Very high	95.4	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.082	C	C	.	.			trans	53	15.4	-165.5	-156.2	24.5	0	0	0	114.6	Q475 V478 R481 D482 I486 C871 I906 P912	Q475-N910 PolarHBondContact NE2-O 3.28Å; V478-N910 WeakPolarHBondContact CG1-OD1 3.2Å; R481-N910 HydrophobicContact CG-CB 3.68Å; D482-N910 WeakPolarHBondContact CA-ND2 3.39Å; I486-N910 HydrophobicContact CG2-CB 3.57Å; C871-N910 HydrophobicContact CB-CB 4.42Å; I906-N910 VanDerWaalsContact O-CA 3.32Å; I906-N910 WeakPolarHBondContact O-CA 3.3Å; I906-N910 PolarHBondContact O-N 2.82Å; N910-P912 WeakPolarHBondContact O-CD 3.24Å
911	L	97.7	Very high	95.6	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.021	8%	0.08	C	C	.	.			trans	-92.8	116.6	179.9	-175.9	62.6	0	0	0	108.4	T868 E872 R875 N904 S909 N913 R915 V916	T868-L911 HydrophobicContact CG2-CD1 3.99Å; E872-L911 HydrophobicContact CB-CD1 3.8Å; E872-L911 HydrophobicContact CG-CD1 4.49Å; R875-L911 HydrophobicContact CB-CD2 4.49Å; R875-L911 VanDerWaalsContact CD-CD2 3.47Å; N904-L911 PolarHBondContact ND2-O 3.37Å; S909-L911 PolarHBondContact O-N 3.49Å; S909-L911 WeakPolarHBondContact OG-CB 3.41Å; S909-L911 PolarHBondContact OG-N 3.34Å; S909-L911 VanDerWaalsContact OG-N 3.1Å; L911-N913 PolarHBondContact O-N 3.31Å; L911-R915 HydrophobicContact CD1-CB 4Å; L911-R915 HydrophobicContact CD1-CG 3.87Å; L911-R915 HydrophobicContact CG-CB 4.49Å; L911-V916 HydrophobicContact CD2-CG2 3.47Å; L911-V916 VanDerWaalsContact CD2-CG2 3.47Å; L911-V916 HydrophobicContact CG-CG2 3.82Å
912	P	97.2	Very high	95.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.			trans	-51	135.3	173.3	-32.4	41.1	0	0	0	112.4	E471 E474 Q475 T868 N910 I914 R915 V916	E471-P912 HydrophobicContact CB-CB 4.2Å; E471-P912 HydrophobicContact CB-CG 4.02Å; E471-P912 HydrophobicContact CG-CB 4.21Å; E471-P912 HydrophobicContact CG-CG 4.5Å; E471-P912 WeakPolarHBondContact O-CG 3.44Å; E474-P912 HydrophobicContact CB-CB 4.15Å; E474-P912 HydrophobicContact CB-CG 4.33Å; E474-P912 HydrophobicContact CG-CB 4.49Å; E474-P912 WeakPolarHBondContact OE2-CB 3.47Å; Q475-P912 HydrophobicContact CG-CG 3.48Å; Q475-P912 VanDerWaalsContact CG-CG 3.48Å; T868-P912 HydrophobicContact CG2-CG 4.2Å; N910-P912 WeakPolarHBondContact O-CD 3.24Å; P912-I914 HydrophobicContact CB-CB 4.44Å; P912-I914 PolarHBondContact O-N 3.16Å; P912-R915 WeakPolarHBondContact O-CB 3.35Å; P912-R915 PolarHBondContact O-N 2.54Å; P912-V916 PolarHBondContact O-N 3.29Å
913	N	96	Very high	96.1	Very high	18 Å²	18	14.6 Å²	14.6	10%	0.096	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-27	174	-75.4	-19.3	0	0	0	111.3	V226 E474 V901 N904 L911 R915 V916 A917	V226-N913 HydrophobicContact CG1-CB 4.28Å; V226-N913 HydrophobicContact CG2-CB 3.95Å; E474-N913 WeakPolarHBondContact OE1-CB 3.31Å; E474-N913 PolarHBondContact OE1-N 3.47Å; E474-N913 PolarHBondContact OE2-N 3.35Å; V901-N913 HydrophobicContact CG1-CB 3.89Å; N904-N913 PolarHBondContact ND2-OD1 3.38Å; L911-N913 PolarHBondContact O-N 3.31Å; N913-R915 VanDerWaalsContact C-N 3.33Å; N913-R915 PolarHBondContact O-N 2.86Å; N913-V916 PolarHBondContact O-N 2.93Å; N913-A917 VanDerWaalsContact O-CB 3.26Å; N913-A917 WeakPolarHBondContact O-CB 3.36Å; N913-A917 PolarHBondContact O-N 3.15Å
914	I	96.9	Very high	96.3	Very high	9 Å²	9	14.6 Å²	14.6	5%	0.046	8%	0.075	C	C	.	.	H	α-helix	trans	-55.6	-47.2	171.7	-66	172.4	0	0	0	111.4	V226 F228 N467 R470 E471 E474 P912 A917 Y918	V226-I914 HydrophobicContact CG1-CB 4.42Å; V226-I914 HydrophobicContact CG1-CG1 3.72Å; F228-I914 HydrophobicContact CB-CB 4.41Å; F228-I914 HydrophobicContact CB-CD1 4.38Å; F228-I914 HydrophobicContact CB-CG1 4.1Å; F228-I914 HydrophobicContact CB-CG2 3.63Å; F228-I914 HydrophobicContact CD1-CG2 4.34Å; F228-I914 HydrophobicContact CD2-CG2 4.29Å; F228-I914 HydrophobicContact CG-CG2 3.86Å; N467-I914 HydrophobicContact CB-CG2 4.17Å; R470-I914 HydrophobicContact CB-CD1 3.62Å; E471-I914 HydrophobicContact CG-CB 3.98Å; E471-I914 HydrophobicContact CG-CG2 3.71Å; E474-I914 WeakPolarHBondContact OE2-CG1 3.41Å; P912-I914 HydrophobicContact CB-CB 4.44Å; P912-I914 PolarHBondContact O-N 3.16Å; I914-A917 PolarHBondContact O-N 3.07Å; I914-Y918 WeakPolarHBondContact O-CB 3.32Å; I914-Y918 PolarHBondContact O-N 2.92Å
915	R	98	Very high	96.3	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-64.3	-45.9	180	-179.2	60.2	64.8	87.9	-1.2	110.8	E471 T868 D869 E872 L911 P912 N913 Y918 R919	E471-R915 IonicContact OE1-CZ 2.87Å; E471-R915 IonicContact OE1-NE 2.8Å; E471-R915 PolarHBondContact OE1-NE 2.81Å; E471-R915 IonicContact OE1-NH2 2.8Å; E471-R915 IonicContact OE2-CZ 3.88Å; E471-R915 IonicContact OE2-NE 3.91Å; E471-R915 IonicContact OE2-NH2 3.03Å; E471-R915 PolarHBondContact OE2-NH2 3.44Å; T868-R915 HydrophobicContact CG2-CB 3.91Å; T868-R915 HydrophobicContact CG2-CG 4.02Å; T868-R915 VanDerWaalsContact CG2-NH2 3.32Å; D869-R915 IonicContact OD1-CZ 3.53Å; D869-R915 VanDerWaalsContact OD1-CZ 3.29Å; D869-R915 IonicContact OD1-NH1 2.76Å; D869-R915 PolarHBondContact OD1-NH1 3.35Å; D869-R915 IonicContact OD1-NH2 3.34Å; D869-R915 PolarHBondContact OD1-NH2 2.94Å; E872-R915 IonicContact OE2-CZ 3.41Å; E872-R915 IonicContact OE2-NH1 2.69Å; E872-R915 PolarHBondContact OE2-NH1 3.47Å; L911-R915 HydrophobicContact CD1-CB 4Å; L911-R915 HydrophobicContact CD1-CG 3.87Å; L911-R915 HydrophobicContact CG-CB 4.49Å; P912-R915 WeakPolarHBondContact O-CB 3.35Å; P912-R915 PolarHBondContact O-N 2.54Å; N913-R915 VanDerWaalsContact C-N 3.33Å; N913-R915 PolarHBondContact O-N 2.86Å; R915-Y918 PolarHBondContact O-N 2.83Å; R915-R919 WeakPolarHBondContact O-CG 3.2Å; R915-R919 PolarHBondContact O-N 3.11Å
916	V	97	Very high	96.4	Very high	11 Å²	11	16.1 Å²	16.1	7%	0.067	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-44.6	-179.3	-178.8	0	0	0	0	111.2	G900 N904 L911 P912 N913 Y918 R919 F920	G900-V916 VanDerWaalsContact C-CG1 3.48Å; G900-V916 WeakPolarHBondContact O-CG1 3.43Å; N904-V916 HydrophobicContact CB-CB 4.45Å; N904-V916 HydrophobicContact CB-CG1 4.21Å; N904-V916 HydrophobicContact CB-CG2 3.87Å; L911-V916 HydrophobicContact CD2-CG2 3.47Å; L911-V916 VanDerWaalsContact CD2-CG2 3.47Å; L911-V916 HydrophobicContact CG-CG2 3.82Å; P912-V916 PolarHBondContact O-N 3.29Å; N913-V916 PolarHBondContact O-N 2.93Å; V916-Y918 PolarHBondContact O-N 3.27Å; V916-R919 PolarHBondContact O-N 3.48Å; V916-F920 WeakPolarHBondContact O-CB 3.44Å; V916-F920 PolarHBondContact O-N 3.2Å
917	A	96.1	Very high	96.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-47.3	175.6	0	0	0	0	0	111	V226 F228 V901 N913 I914 R919 F920 E921	V226-A917 HydrophobicContact CB-CB 4.14Å; V226-A917 HydrophobicContact CG2-CB 4.29Å; F228-A917 HydrophobicContact CD1-CB 4.44Å; F228-A917 HydrophobicContact CE1-CB 3.64Å; F228-A917 HydrophobicContact CZ-CB 4.27Å; V901-A917 HydrophobicContact CG2-CB 3.69Å; N913-A917 VanDerWaalsContact O-CB 3.26Å; N913-A917 WeakPolarHBondContact O-CB 3.36Å; N913-A917 PolarHBondContact O-N 3.15Å; I914-A917 PolarHBondContact O-N 3.07Å; A917-R919 PolarHBondContact O-N 2.82Å; A917-F920 PolarHBondContact O-N 3.36Å; A917-E921 VanDerWaalsContact O-CB 3.24Å; A917-E921 WeakPolarHBondContact O-CB 3.33Å; A917-E921 VanDerWaalsContact O-CG 3.24Å; A917-E921 WeakPolarHBondContact O-CG 3.44Å; A917-E921 PolarHBondContact O-N 3.09Å
918	Y	97.7	Very high	96.4	Very high	13 Å²	13	14 Å²	14	5%	0.051	6%	0.064	C	C	.	.	H	α-helix	trans	-57.4	-47.1	176.7	168.8	-92.5	0	0	0	112.7	K459 F460 H463 I914 R915 V916 T922	K459-Y918 HydrophobicContact CD-CE2 4.18Å; K459-Y918 HydrophobicContact CG-CE2 4.16Å; F460-Y918 WeakPolarHBondContact CA-OH 3.15Å; F460-Y918 HydrophobicContact CB-CE1 4.35Å; F460-Y918 WeakPolarHBondContact CB-OH 3.49Å; F460-Y918 HydrophobicContact CD2-CD1 4.24Å; F460-Y918 AromaticContact CD2-CE1 3.59Å; F460-Y918 HydrophobicContact CD2-CE1 3.59Å; F460-Y918 HydrophobicContact CE2-CE1 4.44Å; F460-Y918 HydrophobicContact CG-CE1 4.45Å; F460-Y918 PolarHBondContact N-OH 3.23Å; H463-Y918 HydrophobicContact CB-CD2 3.75Å; H463-Y918 HydrophobicContact CB-CE2 3.54Å; H463-Y918 HydrophobicContact CB-CG 4.39Å; H463-Y918 AromaticContact CD2-CG 3.96Å; H463-Y918 AromaticContact CE1-CD2 3.94Å; H463-Y918 AromaticContact CE1-CG 3.75Å; H463-Y918 AromaticContact CG-CD2 3.45Å; H463-Y918 VanDerWaalsContact CG-CD2 3.45Å; H463-Y918 AromaticContact CG-CE2 3.78Å; H463-Y918 AromaticContact CG-CG 3.72Å; H463-Y918 AromaticContact ND1-CD2 3.32Å; H463-Y918 VanDerWaalsContact ND1-CD2 3.32Å; H463-Y918 WeakPolarHBondContact ND1-CD2 3.02Å; H463-Y918 AromaticContact ND1-CG 3.6Å; H463-Y918 AromaticContact NE2-CG 3.98Å; I914-Y918 WeakPolarHBondContact O-CB 3.32Å; I914-Y918 PolarHBondContact O-N 2.92Å; R915-Y918 PolarHBondContact O-N 2.83Å; V916-Y918 PolarHBondContact O-N 3.27Å; Y918-T922 VanDerWaalsContact O-CB 3.26Å; Y918-T922 WeakPolarHBondContact O-CB 3.41Å; Y918-T922 PolarHBondContact O-N 3.46Å; Y918-T922 PolarHBondContact O-OG1 3.1Å
919	R	98	Very high	96.3	Very high	35 Å²	35	14.7 Å²	14.7	13%	0.132	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-47.8	179.2	-67.1	-59.1	-172.5	-168	1.9	111.3	L829 A830 E872 R915 V916 A917 T922 L923	L829-R919 PolarHBondContact O-NH1 2.86Å; L829-R919 PolarHBondContact O-NH2 3.12Å; A830-R919 PolarHBondContact O-NH1 2.91Å; E872-R919 IonicContact OE1-CZ 2.75Å; E872-R919 IonicContact OE1-NE 3.5Å; E872-R919 PolarHBondContact OE1-NE 3.19Å; E872-R919 IonicContact OE1-NH2 2.66Å; E872-R919 PolarHBondContact OE1-NH2 2.99Å; E872-R919 IonicContact OE2-CZ 3.31Å; E872-R919 IonicContact OE2-NE 3.16Å; E872-R919 IonicContact OE2-NH2 2.8Å; E872-R919 PolarHBondContact OE2-NH2 3.3Å; R915-R919 WeakPolarHBondContact O-CG 3.2Å; R915-R919 PolarHBondContact O-N 3.11Å; V916-R919 PolarHBondContact O-N 3.48Å; A917-R919 PolarHBondContact O-N 2.82Å; R919-T922 PolarHBondContact O-N 3.23Å; R919-L923 WeakPolarHBondContact O-CB 3.45Å; R919-L923 PolarHBondContact O-N 2.77Å
920	F	96.4	Very high	96.2	Very high	13 Å²	13	14.4 Å²	14.4	6%	0.057	7%	0.066	C	C	.	.	H	α-helix	trans	-64.6	-48.2	-179.3	-176.8	-107.2	0	0	0	111.9	T274 Y297 K298 E899 V916 A917 T922 L923 T924	T274-F920 HydrophobicContact CG2-CE2 4Å; Y297-F920 AromaticContact CD2-CZ 3.96Å; Y297-F920 HydrophobicContact CD2-CZ 3.96Å; Y297-F920 HydrophobicContact CG-CZ 4.14Å; K298-F920 HydrophobicContact CG-CD1 4.27Å; K298-F920 HydrophobicContact CG-CE1 4.37Å; E899-F920 HydrophobicContact CB-CE2 3.86Å; E899-F920 HydrophobicContact CB-CZ 4.28Å; V916-F920 WeakPolarHBondContact O-CB 3.44Å; V916-F920 PolarHBondContact O-N 3.2Å; A917-F920 PolarHBondContact O-N 3.36Å; F920-T922 VanDerWaalsContact C-N 3.29Å; F920-T922 PolarHBondContact O-N 3.38Å; F920-L923 PolarHBondContact O-N 2.92Å; F920-T924 HydrophobicContact CD1-CG2 4.37Å; F920-T924 HydrophobicContact CD2-CG2 4.32Å; F920-T924 HydrophobicContact CE1-CG2 4.01Å; F920-T924 HydrophobicContact CE2-CG2 3.94Å; F920-T924 HydrophobicContact CZ-CG2 3.79Å; F920-T924 WeakPolarHBondContact O-CB 3.43Å; F920-T924 WeakPolarHBondContact O-CG2 3.29Å; F920-T924 PolarHBondContact O-N 2.89Å; F920-T924 PolarHBondContact O-OG1 3.05Å
921	E	95.7	Very high	96	Very high	16 Å²	16	14.3 Å²	14.3	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-60.9	-38.1	176.7	-73.8	178.5	-162.4	0	0	111.9	R230 K298 A917 T924 Q925	R230-E921 WeakPolarHBondContact CD-OE2 3.41Å; R230-E921 IonicContact CZ-OE1 2.66Å; R230-E921 IonicContact CZ-OE2 2.81Å; R230-E921 IonicContact NE-OE1 2.66Å; R230-E921 PolarHBondContact NE-OE1 3.21Å; R230-E921 IonicContact NE-OE2 3.05Å; R230-E921 PolarHBondContact NE-OE2 2.95Å; R230-E921 IonicContact NH2-OE1 3.72Å; R230-E921 PolarHBondContact NH2-OE1 3.31Å; K298-E921 HydrophobicContact CD-CG 4.14Å; K298-E921 HydrophobicContact CG-CG 4.29Å; A917-E921 VanDerWaalsContact O-CB 3.24Å; A917-E921 WeakPolarHBondContact O-CB 3.33Å; A917-E921 VanDerWaalsContact O-CG 3.24Å; A917-E921 WeakPolarHBondContact O-CG 3.44Å; A917-E921 PolarHBondContact O-N 3.09Å; E921-T924 VanDerWaalsContact CA-OG1 3.24Å; E921-T924 WeakPolarHBondContact CA-OG1 3.49Å; E921-T924 PolarHBondContact O-OG1 3Å; E921-Q925 VanDerWaalsContact O-CB 3.3Å; E921-Q925 WeakPolarHBondContact O-CB 3.46Å; E921-Q925 VanDerWaalsContact O-CD 3.29Å; E921-Q925 WeakPolarHBondContact O-CG 3.21Å; E921-Q925 PolarHBondContact O-N 3.32Å
922	T	97.2	Very high	95.6	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-71	-43.2	178.8	-59.3	0	0	0	0	111.8	L456 K459 Y918 R919 F920 Q925 E926	L456-T922 HydrophobicContact CD2-CG2 3.38Å; K459-T922 HydrophobicContact CD-CG2 3.99Å; K459-T922 PolarHBondContact NZ-OG1 2.9Å; Y918-T922 VanDerWaalsContact O-CB 3.26Å; Y918-T922 WeakPolarHBondContact O-CB 3.41Å; Y918-T922 PolarHBondContact O-N 3.46Å; Y918-T922 PolarHBondContact O-OG1 3.1Å; R919-T922 PolarHBondContact O-N 3.23Å; F920-T922 VanDerWaalsContact C-N 3.29Å; F920-T922 PolarHBondContact O-N 3.38Å; T922-Q925 PolarHBondContact O-N 3.33Å; T922-E926 WeakPolarHBondContact O-CG 3.21Å; T922-E926 PolarHBondContact O-N 2.8Å; T922-E926 VanDerWaalsContact O-N 3.11Å
923	L	97.7	Very high	95.3	Very high	9 Å²	9	18.1 Å²	18.1	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-62.7	-47.1	176.3	177.3	62.8	0	0	0	112	T274 Y800 Q803 R919 F920 Q925 E926 L927	T274-L923 HydrophobicContact CG2-CD2 4.44Å; Y800-L923 HydrophobicContact CE1-CD1 4.29Å; Y800-L923 HydrophobicContact CE2-CD1 4.47Å; Y800-L923 VanDerWaalsContact OH-CA 3.31Å; Y800-L923 WeakPolarHBondContact OH-CA 3.42Å; Y800-L923 PolarHBondContact OH-N 3Å; Q803-L923 HydrophobicContact CG-CD1 4.46Å; Q803-L923 HydrophobicContact CG-CD2 3.71Å; R919-L923 WeakPolarHBondContact O-CB 3.45Å; R919-L923 PolarHBondContact O-N 2.77Å; F920-L923 PolarHBondContact O-N 2.92Å; L923-Q925 VanDerWaalsContact C-N 3.34Å; L923-Q925 PolarHBondContact O-N 3.03Å; L923-E926 PolarHBondContact O-N 3.49Å; L923-L927 HydrophobicContact CD1-CD1 4.18Å; L923-L927 HydrophobicContact CD1-CG 4.31Å; L923-L927 HydrophobicContact CG-CD1 4.03Å; L923-L927 WeakPolarHBondContact O-CG 3.34Å; L923-L927 PolarHBondContact O-N 3.45Å
924	T	95.4	Very high	95.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-41	178.2	46.7	0	0	0	0	111.7	T274 Y278 E294 F920 E921 E926 L927 R928	T274-T924 HydrophobicContact CG2-CG2 3.87Å; Y278-T924 HydrophobicContact CE2-CG2 3.93Å; Y278-T924 WeakPolarHBondContact OH-CA 3.49Å; Y278-T924 WeakPolarHBondContact OH-CB 3.44Å; Y278-T924 WeakPolarHBondContact OH-CG2 3.36Å; Y278-T924 PolarHBondContact OH-O 3.4Å; E294-T924 HydrophobicContact CG-CG2 4.5Å; F920-T924 HydrophobicContact CD1-CG2 4.37Å; F920-T924 HydrophobicContact CD2-CG2 4.32Å; F920-T924 HydrophobicContact CE1-CG2 4.01Å; F920-T924 HydrophobicContact CE2-CG2 3.94Å; F920-T924 HydrophobicContact CZ-CG2 3.79Å; F920-T924 WeakPolarHBondContact O-CB 3.43Å; F920-T924 WeakPolarHBondContact O-CG2 3.29Å; F920-T924 PolarHBondContact O-N 2.89Å; F920-T924 PolarHBondContact O-OG1 3.05Å; E921-T924 VanDerWaalsContact CA-OG1 3.24Å; E921-T924 WeakPolarHBondContact CA-OG1 3.49Å; E921-T924 PolarHBondContact O-OG1 3Å; T924-E926 PolarHBondContact O-N 3.2Å; T924-L927 PolarHBondContact O-N 3.29Å; T924-R928 WeakPolarHBondContact O-CB 3.04Å; T924-R928 WeakPolarHBondContact O-CG 3.36Å; T924-R928 PolarHBondContact O-N 3.38Å
925	Q	94.2	Very high	94.7	Very high	83 Å²	83	18.3 Å²	18.3	39%	0.388	9%	0.088	S	C	.	.	H	α-helix	trans	-61.6	-42.6	174.2	-76.1	167.4	5	0	0	113.2	E921 T922 L923 R928 L929	E921-Q925 VanDerWaalsContact O-CB 3.3Å; E921-Q925 WeakPolarHBondContact O-CB 3.46Å; E921-Q925 VanDerWaalsContact O-CD 3.29Å; E921-Q925 WeakPolarHBondContact O-CG 3.21Å; E921-Q925 PolarHBondContact O-N 3.32Å; T922-Q925 PolarHBondContact O-N 3.33Å; L923-Q925 VanDerWaalsContact C-N 3.34Å; L923-Q925 PolarHBondContact O-N 3.03Å; Q925-R928 PolarHBondContact O-N 2.79Å; Q925-L929 WeakPolarHBondContact O-CB 3.46Å; Q925-L929 PolarHBondContact O-N 2.83Å
926	E	96.3	Very high	94.2	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	10%	0.104	C	C	.	.	H	α-helix	trans	-66	-42.5	175.9	-67.7	-68.8	138.8	0	0	111.5	R452 Y455 L456 Y797 Y800 T922 L923 T924 L929 L930	R452-E926 IonicContact CZ-OE1 3.96Å; R452-E926 IonicContact CZ-OE2 2.92Å; R452-E926 IonicContact NE-OE1 3.74Å; R452-E926 PolarHBondContact NE-OE1 3.25Å; R452-E926 IonicContact NE-OE2 2.81Å; R452-E926 PolarHBondContact NE-OE2 2.96Å; R452-E926 IonicContact NH2-OE1 3.06Å; R452-E926 PolarHBondContact NH2-OE1 2.94Å; R452-E926 IonicContact NH2-OE2 3.71Å; Y455-E926 WeakPolarHBondContact CD1-OE1 3.49Å; Y455-E926 VanDerWaalsContact CE1-OE1 3.24Å; Y455-E926 WeakPolarHBondContact CE1-OE1 3.34Å; L456-E926 HydrophobicContact CD2-CG 4.02Å; Y797-E926 WeakPolarHBondContact CE2-OE2 3.26Å; Y797-E926 PolarHBondContact OH-OE2 3.32Å; Y800-E926 HydrophobicContact CE1-CB 4.21Å; Y800-E926 HydrophobicContact CE1-CG 3.94Å; T922-E926 WeakPolarHBondContact O-CG 3.21Å; T922-E926 PolarHBondContact O-N 2.8Å; T922-E926 VanDerWaalsContact O-N 3.11Å; L923-E926 PolarHBondContact O-N 3.49Å; T924-E926 PolarHBondContact O-N 3.2Å; E926-L929 WeakPolarHBondContact O-CB 3.48Å; E926-L929 PolarHBondContact O-N 3.01Å; E926-L930 WeakPolarHBondContact O-CG 3.29Å; E926-L930 PolarHBondContact O-N 3.01Å
927	L	95.6	Very high	93.6	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-64.7	-41.2	176.4	-68.9	170.4	0	0	0	111.9	L257 T274 T275 Y278 I801 L923 T924 L929 L930 L931	L257-L927 HydrophobicContact CD1-CD2 4.46Å; T274-L927 HydrophobicContact CG2-CD1 4.05Å; T275-L927 HydrophobicContact CG2-CD2 4.17Å; Y278-L927 HydrophobicContact CD1-CB 3.39Å; Y278-L927 HydrophobicContact CD1-CD1 4.4Å; Y278-L927 HydrophobicContact CD1-CG 4.48Å; Y278-L927 HydrophobicContact CD2-CD1 4.12Å; Y278-L927 HydrophobicContact CE1-CB 3.57Å; Y278-L927 HydrophobicContact CG-CB 3.84Å; Y278-L927 HydrophobicContact CG-CD1 4Å; I801-L927 HydrophobicContact CB-CD2 4.09Å; L923-L927 HydrophobicContact CD1-CD1 4.18Å; L923-L927 HydrophobicContact CD1-CG 4.31Å; L923-L927 HydrophobicContact CG-CD1 4.03Å; L923-L927 WeakPolarHBondContact O-CG 3.34Å; L923-L927 PolarHBondContact O-N 3.45Å; T924-L927 PolarHBondContact O-N 3.29Å; L927-L929 VanDerWaalsContact C-N 3.34Å; L927-L929 PolarHBondContact O-N 3.11Å; L927-L930 PolarHBondContact O-N 2.93Å; L927-L931 VanDerWaalsContact O-CB 3.3Å; L927-L931 WeakPolarHBondContact O-CB 3.46Å; L927-L931 PolarHBondContact O-N 3.18Å
928	R	92.8	Very high	93	Very high	48 Å²	48	27.6 Å²	27.6	18%	0.181	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-42.7	174.6	-78.6	-165.7	168.3	146.1	-12.1	111.8	Y278 D291 E294 T924 Q925 L930 L931 N932	Y278-R928 HydrophobicContact CE1-CB 4.28Å; Y278-R928 HydrophobicContact CE1-CG 3.45Å; Y278-R928 VanDerWaalsContact CE1-CG 3.45Å; Y278-R928 WeakPolarHBondContact OH-CG 3.35Å; D291-R928 IonicContact OD1-CZ 3.56Å; D291-R928 IonicContact OD1-NH2 2.65Å; D291-R928 PolarHBondContact OD1-NH2 3.46Å; E294-R928 VanDerWaalsContact CD-NH1 3.27Å; E294-R928 IonicContact OE1-CZ 3.47Å; E294-R928 IonicContact OE1-NE 2.91Å; E294-R928 PolarHBondContact OE1-NE 3.33Å; E294-R928 IonicContact OE1-NH1 3.17Å; E294-R928 PolarHBondContact OE1-NH1 3.3Å; E294-R928 IonicContact OE1-NH2 2.92Å; E294-R928 PolarHBondContact OE1-NH2 3.33Å; E294-R928 IonicContact OE2-CZ 3.5Å; E294-R928 IonicContact OE2-NH1 3.11Å; E294-R928 PolarHBondContact OE2-NH1 3.34Å; E294-R928 IonicContact OE2-NH2 3.57Å; E294-R928 PolarHBondContact OE2-NH2 2.91Å; T924-R928 WeakPolarHBondContact O-CB 3.04Å; T924-R928 WeakPolarHBondContact O-CG 3.36Å; T924-R928 PolarHBondContact O-N 3.38Å; Q925-R928 PolarHBondContact O-N 2.79Å; R928-L930 VanDerWaalsContact C-N 3.32Å; R928-L930 PolarHBondContact O-N 2.86Å; R928-L931 PolarHBondContact O-N 3.36Å; R928-N932 VanDerWaalsContact O-CB 3.27Å; R928-N932 WeakPolarHBondContact O-CB 3.22Å; R928-N932 PolarHBondContact O-N 2.95Å; R928-N932 PolarHBondContact O-ND2 3.02Å
929	L	92.7	Very high	92.1	Very high	26 Å²	26	31.8 Å²	31.8	14%	0.136	16%	0.162	C	C	.	.	H	α-helix	trans	-55.8	-49.2	177.2	168	63.2	0	0	0	111	L239 L246 Q925 E926 L927 S933	L239-L929 HydrophobicContact CD2-CD1 3.29Å; L246-L929 HydrophobicContact CD1-CD1 3.95Å; L246-L929 HydrophobicContact CD1-CG 4.14Å; L246-L929 HydrophobicContact CD2-CD1 3.71Å; L246-L929 HydrophobicContact CG-CD1 4.5Å; Q925-L929 WeakPolarHBondContact O-CB 3.46Å; Q925-L929 PolarHBondContact O-N 2.83Å; E926-L929 WeakPolarHBondContact O-CB 3.48Å; E926-L929 PolarHBondContact O-N 3.01Å; L927-L929 VanDerWaalsContact C-N 3.34Å; L927-L929 PolarHBondContact O-N 3.11Å; L929-S933 WeakPolarHBondContact O-CB 3.46Å; L929-S933 PolarHBondContact O-N 3.42Å
930	L	94.1	Very high	90.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-45.3	179.8	-58.7	178.6	0	0	0	111.7	S250 L253 I254 F448 Y797 I801 E926 L927 R928 S933 V934	S250-L930 WeakPolarHBondContact CB-O 3.43Å; S250-L930 WeakPolarHBondContact OG-CA 3.4Å; S250-L930 WeakPolarHBondContact OG-CD2 3.42Å; L253-L930 HydrophobicContact CB-CD1 4.23Å; L253-L930 HydrophobicContact CD1-CD1 4.21Å; L253-L930 HydrophobicContact CD1-CD2 3.76Å; I254-L930 HydrophobicContact CD1-CB 4.18Å; I254-L930 HydrophobicContact CG1-CB 4.33Å; F448-L930 HydrophobicContact CE1-CD2 4.27Å; F448-L930 HydrophobicContact CZ-CD2 4.31Å; Y797-L930 HydrophobicContact CE1-CD1 4.14Å; I801-L930 HydrophobicContact CD1-CD1 3.71Å; E926-L930 WeakPolarHBondContact O-CG 3.29Å; E926-L930 PolarHBondContact O-N 3.01Å; L927-L930 PolarHBondContact O-N 2.93Å; R928-L930 VanDerWaalsContact C-N 3.32Å; R928-L930 PolarHBondContact O-N 2.86Å; L930-S933 WeakPolarHBondContact O-CB 3.41Å; L930-S933 PolarHBondContact O-N 3.44Å; L930-V934 PolarHBondContact O-N 3.49Å; L930-V934 VanDerWaalsContact O-N 3.12Å
931	L	92.7	Very high	88.8	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-49.2	-178.3	-179.9	63.6	0	0	0	112.3	Y278 V281 L282 V287 L290 L927 R928 S933 V934 L935	Y278-L931 HydrophobicContact CD1-CD2 4.21Å; V281-L931 HydrophobicContact CB-CD1 4.46Å; V281-L931 HydrophobicContact CB-CD2 3.88Å; V281-L931 HydrophobicContact CG1-CD1 4.46Å; V281-L931 HydrophobicContact CG1-CD2 3.84Å; V281-L931 HydrophobicContact CG2-CD2 4.47Å; L282-L931 HydrophobicContact CD2-CD1 3.45Å; L282-L931 VanDerWaalsContact CD2-CD1 3.45Å; L282-L931 HydrophobicContact CG-CD1 3.85Å; V287-L931 HydrophobicContact CG2-CD2 4.25Å; L290-L931 HydrophobicContact CD1-CD2 4.07Å; L927-L931 VanDerWaalsContact O-CB 3.3Å; L927-L931 WeakPolarHBondContact O-CB 3.46Å; L927-L931 PolarHBondContact O-N 3.18Å; R928-L931 PolarHBondContact O-N 3.36Å; L931-S933 VanDerWaalsContact C-N 3.27Å; L931-S933 PolarHBondContact O-N 3.09Å; L931-V934 PolarHBondContact O-N 2.84Å; L931-L935 HydrophobicContact CD1-CD1 4.17Å; L931-L935 HydrophobicContact CD1-CG 4.25Å; L931-L935 HydrophobicContact CG-CD1 4.01Å; L931-L935 HydrophobicContact CG-CG 4.45Å; L931-L935 WeakPolarHBondContact O-CG 3.41Å; L931-L935 PolarHBondContact O-N 2.61Å
932	N	90.6	Very high	86.6	Confident	77 Å²	77	40.6 Å²	40.6	41%	0.412	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-39.4	-179.9	-72.7	-12.4	0	0	0	111.5	R928 L935 A936	R928-N932 VanDerWaalsContact O-CB 3.27Å; R928-N932 WeakPolarHBondContact O-CB 3.22Å; R928-N932 PolarHBondContact O-N 2.95Å; R928-N932 PolarHBondContact O-ND2 3.02Å; N932-L935 PolarHBondContact O-N 3.15Å; N932-A936 VanDerWaalsContact O-CB 3.3Å; N932-A936 WeakPolarHBondContact O-CB 3.29Å; N932-A936 PolarHBondContact O-N 3.15Å
933	S	90.9	Very high	83.6	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-47.6	174.6	162.7	0	0	0	0	111.9	L246 H247 S250 L929 L930 L931 L935 A936 S937	L246-S933 PolarHBondContact O-OG 3.15Å; H247-S933 WeakPolarHBondContact CA-OG 3.44Å; H247-S933 PolarHBondContact CD2-OG 3.3Å; H247-S933 VanDerWaalsContact CD2-OG 3.3Å; S250-S933 VanDerWaalsContact CB-OG 3.24Å; S250-S933 WeakPolarHBondContact CB-OG 3.43Å; S250-S933 WeakPolarHBondContact OG-CB 3.45Å; S250-S933 PolarHBondContact OG-OG 3.08Å; S250-S933 VanDerWaalsContact OG-OG 3.05Å; L929-S933 WeakPolarHBondContact O-CB 3.46Å; L929-S933 PolarHBondContact O-N 3.42Å; L930-S933 WeakPolarHBondContact O-CB 3.41Å; L930-S933 PolarHBondContact O-N 3.44Å; L931-S933 VanDerWaalsContact C-N 3.27Å; L931-S933 PolarHBondContact O-N 3.09Å; S933-L935 PolarHBondContact O-N 3.36Å; S933-A936 PolarHBondContact O-N 3.45Å; S933-S937 PolarHBondContact O-N 2.88Å
934	V	91.5	Very high	80.3	Confident	6 Å²	6	50.2 Å²	50.2	4%	0.036	31%	0.306	C	S	.	.	H	α-helix	trans	-65.7	-40.3	177.1	174.3	0	0	0	0	112.1	E251 I254 L282 L930 L931 S937 R938	E251-V934 HydrophobicContact CG-CG2 4.2Å; I254-V934 HydrophobicContact CB-CG2 4.32Å; I254-V934 HydrophobicContact CG1-CG2 3.89Å; L282-V934 HydrophobicContact CD2-CG1 4.05Å; L930-V934 PolarHBondContact O-N 3.49Å; L930-V934 VanDerWaalsContact O-N 3.12Å; L931-V934 PolarHBondContact O-N 2.84Å; V934-S937 PolarHBondContact O-N 3Å; V934-R938 WeakPolarHBondContact O-CG 3.47Å; V934-R938 PolarHBondContact O-N 3.19Å; V934-R938 VanDerWaalsContact O-N 3.15Å
935	L	89.1	Confident	77.2	Confident	26 Å²	26	57 Å²	57	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-39	177.8	-67.8	176	0	0	0	111.9	V281 V287 L931 N932 S933 R938 T939	V281-L935 HydrophobicContact CG1-CD1 4.46Å; V287-L935 HydrophobicContact CG2-CD1 3.63Å; L931-L935 HydrophobicContact CD1-CD1 4.17Å; L931-L935 HydrophobicContact CD1-CG 4.25Å; L931-L935 HydrophobicContact CG-CD1 4.01Å; L931-L935 HydrophobicContact CG-CG 4.45Å; L931-L935 WeakPolarHBondContact O-CG 3.41Å; L931-L935 PolarHBondContact O-N 2.61Å; N932-L935 PolarHBondContact O-N 3.15Å; S933-L935 PolarHBondContact O-N 3.36Å; L935-R938 PolarHBondContact O-N 2.99Å; L935-T939 PolarHBondContact O-N 3.42Å; L935-T939 VanDerWaalsContact O-N 3.15Å; L935-T939 PolarHBondContact O-OG1 3.25Å
936	A	86.9	Confident	74.3	Confident	41 Å²	41	56.2 Å²	56.2	34%	0.339	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-37.4	175.8	0	0	0	0	0	112.9	N932 S933 R938 T939 S940	N932-A936 VanDerWaalsContact O-CB 3.3Å; N932-A936 WeakPolarHBondContact O-CB 3.29Å; N932-A936 PolarHBondContact O-N 3.15Å; S933-A936 PolarHBondContact O-N 3.45Å; A936-R938 VanDerWaalsContact C-N 3.33Å; A936-R938 PolarHBondContact O-N 3.34Å; A936-T939 PolarHBondContact O-N 3.24Å; A936-T939 PolarHBondContact O-OG1 2.79Å; A936-S940 PolarHBondContact O-N 3.21Å; A936-S940 VanDerWaalsContact O-N 3.16Å; A936-S940 PolarHBondContact O-OG 2.72Å
937	S	84.6	Confident	71.3	Confident	28 Å²	28	61.9 Å²	61.9	20%	0.196	40%	0.404	C	S	.	.	H	α-helix	trans	-59.6	-43.2	171.9	179.7	0	0	0	0	111.4	E251 S933 V934 T939 S940 G941	E251-S937 PolarHBondContact OE1-OG 2.78Å; S933-S937 PolarHBondContact O-N 2.88Å; V934-S937 PolarHBondContact O-N 3Å; S937-T939 PolarHBondContact O-N 3.43Å; S937-S940 PolarHBondContact O-OG 3.32Å; S937-S940 VanDerWaalsContact O-OG 3.07Å; S937-G941 PolarHBondContact O-N 3.27Å
938	R	82.4	Confident	68.2	Low	139 Å²	139	68.9 Å²	68.9	53%	0.525	44%	0.442	S	S	.	.	H	α-helix	trans	-66.8	-36.5	179.1	-70.8	177.7	-178.7	-173.2	1	113.7	L282 V934 L935 A936	L282-R938 PolarHBondContact O-NH1 3.25Å; L282-R938 VanDerWaalsContact O-NH1 3.1Å; V934-R938 WeakPolarHBondContact O-CG 3.47Å; V934-R938 PolarHBondContact O-N 3.19Å; V934-R938 VanDerWaalsContact O-N 3.15Å; L935-R938 PolarHBondContact O-N 2.99Å; A936-R938 VanDerWaalsContact C-N 3.33Å; A936-R938 PolarHBondContact O-N 3.34Å
939	T	78.5	Confident	65.4	Low	100 Å²	100	73.1 Å²	73.1	61%	0.613	47%	0.473	S	S	*	.	H	α-helix	trans	-74.2	-38.9	-179.8	53.9	0	0	0	0	112.2	L935 A936 S937 G941 S942	L935-T939 PolarHBondContact O-N 3.42Å; L935-T939 VanDerWaalsContact O-N 3.15Å; L935-T939 PolarHBondContact O-OG1 3.25Å; A936-T939 PolarHBondContact O-N 3.24Å; A936-T939 PolarHBondContact O-OG1 2.79Å; S937-T939 PolarHBondContact O-N 3.43Å; T939-G941 VanDerWaalsContact C-N 3.33Å; T939-G941 PolarHBondContact O-N 3.05Å; T939-S942 PolarHBondContact O-OG 2.75Å
940	S	68.5	Low	62.4	Low	84 Å²	84	77.2 Å²	77.2	59%	0.587	50%	0.499	S	S	*	.	H	α-helix	trans	-69.4	-26.5	178.3	52.9	0	0	0	0	113.7	A936 S937 S942	A936-S940 PolarHBondContact O-N 3.21Å; A936-S940 VanDerWaalsContact O-N 3.16Å; A936-S940 PolarHBondContact O-OG 2.72Å; S937-S940 PolarHBondContact O-OG 3.32Å; S937-S940 VanDerWaalsContact O-OG 3.07Å; S940-S942 PolarHBondContact O-N 3.32Å
941	G	58.1	Low	59.5	Low	67 Å²	67	86.6 Å²	86.6	69%	0.691	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.6	178.3	0	0	0	0	0	117	S937 T939	S937-G941 PolarHBondContact O-N 3.27Å; T939-G941 VanDerWaalsContact C-N 3.33Å; T939-G941 PolarHBondContact O-N 3.05Å
942	S	47.9	Very low	56.6	Low	98 Å²	98	93.9 Å²	93.9	69%	0.685	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	5.9	-173.7	78	0	0	0	0	116	T939 S940	T939-S942 PolarHBondContact O-OG 2.75Å; S940-S942 PolarHBondContact O-N 3.32Å
943	V	35.8	Very low	53.8	Low	117 Å²	117	93.9 Å²	93.9	71%	0.709	59%	0.589	S	S	*	*	S	Bend	trans	-109.6	104.1	-177.5	-173.7	0	0	0	0	111.6
944	S	28.5	Very low	51.1	Low	99 Å²	99	100.1 Å²	100.1	69%	0.692	63%	0.629	S	S	*	*			trans	99.7	103.3	164.6	-46.4	0	0	0	0	118.3
945	P	30	Very low	48.4	Very low	143 Å²	143	108.7 Å²	108.7	93%	0.929	67%	0.666	S	S	*	*	S	Bend	trans	-85.9	97	148.7	31.7	-22.2	0	0	0	108.6
946	G	32.6	Very low	45.7	Very low	68 Å²	68	116.6 Å²	116.6	70%	0.701	70%	0.7	S	S	*	*			trans	153.4	80.6	171.1	0	0	0	0	0	115.5
947	S	33.6	Very low	43.3	Very low	121 Å²	121	121.5 Å²	121.5	85%	0.846	73%	0.725	S	S	*	*			trans	-176.3	132.2	131.5	-158.8	0	0	0	0	110.1
948	N	30.5	Very low	40.9	Very low	151 Å²	151	127.9 Å²	127.9	81%	0.807	75%	0.752	S	S	*	*			trans	-53.1	139.9	-178.9	-60.4	-53.2	0	0	0	113.4
949	T	33.6	Very low	38.7	Very low	136 Å²	136	127.6 Å²	127.6	83%	0.834	77%	0.765	S	S	*	*			trans	-164	106	138.9	-65.5	0	0	0	0	111.5
950	V	31	Very low	36.6	Very low	112 Å²	112	127.4 Å²	127.4	68%	0.679	77%	0.768	S	S	*	*			trans	58.5	96.4	145.8	-168.9	0	0	0	0	119.6	L952	V950-L952 HydrophobicContact CG1-CD1 4.13Å; V950-L952 HydrophobicContact CG1-CG 3.89Å
951	M	31.8	Very low	35	Very low	197 Å²	197	129.6 Å²	129.6	97%	0.97	78%	0.778	S	S	*	*			trans	-79.7	110.2	155.5	-147.8	-170.9	-162.1	0	0	108.8
952	L	32.8	Very low	33.9	Very low	156 Å²	156	134.2 Å²	134.2	82%	0.817	79%	0.787	S	S	*	*			trans	-91.4	102	170.7	-93.5	156.8	0	0	0	109.8	V950	V950-L952 HydrophobicContact CG1-CD1 4.13Å; V950-L952 HydrophobicContact CG1-CG 3.89Å
953	S	30.5	Very low	33.3	Very low	76 Å²	76	134 Å²	134	53%	0.531	79%	0.786	S	S	.	*			trans	-57.8	144.9	162.5	55.1	0	0	0	0	111.9	K955	S953-K955 PolarHBondContact O-N 3.22Å; S953-K955 VanDerWaalsContact O-N 3.17Å
954	P	34.9	Very low	33.4	Very low	137 Å²	137	133.3 Å²	133.3	89%	0.89	79%	0.786	S	S	*	*			trans	-75.8	106.8	174.9	30.3	-30.8	0	0	0	110
955	K	35	Very low	33.7	Very low	187 Å²	187	139 Å²	139	81%	0.813	79%	0.793	S	S	*	*			trans	-96.9	127.2	171.4	-87.5	-173.6	178.8	177.1	0	111.4	S953	S953-K955 PolarHBondContact O-N 3.22Å; S953-K955 VanDerWaalsContact O-N 3.17Å
956	K	33.2	Very low	34.1	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	78%	0.781	S	S	*	*			trans	-44.9	137.9	164	-65.3	172.2	174	178.3	0	112.6
957	T	35.6	Very low	34.4	Very low	143 Å²	143	141.5 Å²	141.5	88%	0.877	78%	0.78	S	S	*	*			trans	-116.3	116.9	156.5	41.5	0	0	0	0	109.9
958	H	33.4	Very low	34.6	Very low	162 Å²	162	143 Å²	143	75%	0.75	77%	0.774	S	S	*	*			trans	-79.9	176.3	166.1	-98	-80.6	0	0	0	110.9
959	T	36.7	Very low	34.8	Very low	133 Å²	133	143.1 Å²	143.1	82%	0.816	77%	0.774	S	S	*	*			trans	88.1	139.9	164.2	77.2	0	0	0	0	116.1
960	S	35.5	Very low	34.8	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	78%	0.776	S	S	*	*			cis	-170.6	137.1	-28.5	47.8	0	0	0	0	105.9
961	T	33.5	Very low	35.2	Very low	131 Å²	131	154.5 Å²	154.5	80%	0.804	80%	0.803	S	S	*	*			trans	37.6	111.4	150.3	55.1	0	0	0	0	119.7
962	D	36.2	Very low	35.4	Very low	163 Å²	163	152.4 Å²	152.4	87%	0.872	79%	0.794	S	S	*	*				-156.2	161.6	122.2	-132.8	-28.5	0	0	0	112.8
963	S	35.7	Very low	35.5	Very low	94 Å²	94	152.2 Å²	152.2	66%	0.657	79%	0.793	S	S	*	*			trans	-92.3	157.8	-145.5	59.6	0	0	0	0	117.4
964	S	36.6	Very low	35.8	Very low	103 Å²	103	156.4 Å²	156.4	72%	0.72	81%	0.807	S	S	*	*			trans	89.5	131.6	142.1	82.6	0	0	0	0	120.3
965	R	34.8	Very low	35.8	Very low	219 Å²	219	157.6 Å²	157.6	83%	0.826	80%	0.803	S	S	*	*			trans	97.3	112.4	143.6	-84.2	-177.4	164.1	172.1	-2.4	120.6
966	I	38.8	Very low	35.9	Very low	132 Å²	132	155.8 Å²	155.8	68%	0.677	80%	0.802	S	S	*	*			trans	89	93.2	132.4	-60.2	163.4	0	0	0	113.7
967	D	38.7	Very low	36.1	Very low	130 Å²	130	153.3 Å²	153.3	70%	0.695	80%	0.8	S	S	*	*				51.1	108.8	86.2	-81.9	-31.4	0	0	0	113.8
968	H	37.6	Very low	36.1	Very low	153 Å²	153	154.1 Å²	154.1	71%	0.708	79%	0.794	S	S	*	*				154.4	132.7	112.8	-84.7	-53.6	0	0	0	114.1
969	L	35.7	Very low	36.3	Very low	153 Å²	153	153.5 Å²	153.5	80%	0.801	80%	0.798	S	S	*	*			trans	73.7	106.1	146.8	-61.2	157.7	0	0	0	115.6
970	K	32.8	Very low	36.3	Very low	206 Å²	206	155.2 Å²	155.2	90%	0.896	80%	0.796	S	S	*	*				35.7	88.7	64.1	-89.6	-168	179.7	-177.7	0	113.2
971	K	39.2	Very low	36.3	Very low	282 Å²	282	160.5 Å²	160.5	100%	1.226	81%	0.808	S	S	*	*			trans	-142.8	0	134.5	-129.4	-179.3	-173	-178.9	0	108.6

Retrieved 971 of 971 residues in 817.3 ms (Link to these results)

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