A0A096NYE7_PAPAN Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A096NYE7, Species PAPAN (Papio anubis, Olive baboon), Gene ANO1, Length 986 aa.

						>A0A096NYE7_PAPAN|A0A096NYE7|ANO1
MRVNEKYSTLPAEDRSVHIINICAIEDIGYLPSEGTLLNSLSVDPDAECKYGLYFRDGRRKVDYILVYHHKRSSGSRTLVRRVQHSDTTSGARSVKQDHPLPGKGAPLDTGSAEPPMDYHEDDKRFRREEYEGNLLEAGLELERDEDTKIHGVGFVKIHAPWNVLCREAEFLKLKMPTKKMYHINETRGLLKKINSVLQKLTDPIQPKVAEHRPQTMKRLSYPFSREKQHLFDLSDKDSFFDSKTRSTIVYEILKRTTCTKAKYSMGITSLLANGVYAAAYPLHDGDYEGENVEFNDRKLLYEEWACYGVFYKYQPIDLVRKYFGEKIGLYFAWLGVYTQMLIPASIVGIIVFLYGCATVDENIPSMEMCDQRQNITMCPLCDKTCSYWKMSSACATARASHLFDNPATVFFSVFMALWAATFMEHWKRKQMRLNYRWDLTGFEEEEEAVKDHPRAEYEARVLEKSLKKESKNKEKRRHIPEESTNKWKQRVKTAMAGVKLTDKVKLTWRDRFPAYLTNLVSIIFMIAVTFAIVLGVIIYRISMAAALAMNSSPSVRSNIRVTVTATAVIINLVVIILLDEVYGCIARWLTKIEVPKTEKSFEERLIFKAFLLKFVNSYTPIFYVAFFKGRFVGRPGDYVYIFRSFRMEECAPGGCLMELCIQLSIIMLGKQLIQNNLFEIGIPKMKKLIRYLKLKRQSPPDHEECVKRKQRYEVDYNLEPFAGLTPEYMEMIIQFGFVTLFVASFPLAPLFALLNNIIEIRLDAKKFVTELRRPVAVRAKDIGIWYNILRGIGKLAVIINAFVISFTSDFIPRLVYLYMYSKNGTMHGFVNHTLSSFNVSDFQNGTAPNDPLDLGYEVQICRYKDYREPPWSENKYDISKDFWAVLAARLAFVIVFQNLVMFMSDFVDWVIPDIPKDISQQIHKEKVLMVELFMREEQDKQQLLETWMEKERQKDEPPCNHHNPKACPDSLSSPAPSHSYHGGVL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	31.7	Very low	29.6	Very low	242 Å²	242	158.9 Å²	158.9	100%	1.192	80%	0.804	S	S	*	*				0	130.6	0	-84.3	173.9	162.3	0	0	108.4
2	R	29.1	Very low	29.6	Very low	238 Å²	238	153.1 Å²	153.1	90%	0.898	80%	0.798	S	S	*	*			trans	50.8	113	166.8	-62.5	-178.2	-178	174.3	1.2	118
3	V	29.1	Very low	29.6	Very low	125 Å²	125	156 Å²	156	76%	0.758	81%	0.805	S	S	*	*				74.7	126.3	66.2	167.6	0	0	0	0	110.5
4	N	28	Very low	29.4	Very low	118 Å²	118	152.7 Å²	152.7	63%	0.631	79%	0.79	S	S	*	*			cis	-160.7	163.5	7.5	-123.7	19.7	0	0	0	113.2
5	E	32.6	Very low	29.2	Very low	130 Å²	130	156.1 Å²	156.1	61%	0.607	79%	0.788	S	S	*	*			trans	33.1	156	130.4	-61.9	-171.8	153.5	0	0	122.9
6	K	29	Very low	28.9	Very low	156 Å²	156	153.4 Å²	153.4	68%	0.678	79%	0.788	S	S	*	*			cis	-162.3	162.7	4.9	-123.2	161.4	-170	149.6	0	112.3
7	Y	28.8	Very low	28.7	Very low	211 Å²	211	151.6 Å²	151.6	83%	0.827	79%	0.786	S	S	*	*			trans	-34.3	156.5	167.9	-71.2	-101	0	0	0	121.1	T9	Y7-T9 HydrophobicContact CD1-CG2 4.49Å
8	S	24	Very low	28.5	Very low	123 Å²	123	152.3 Å²	152.3	86%	0.86	79%	0.785	S	S	*	*			trans	-148.9	160.5	131	54.4	0	0	0	0	111.5
9	T	27.1	Very low	28.4	Very low	119 Å²	119	153.5 Å²	153.5	73%	0.73	79%	0.79	S	S	*	*			trans	-126.9	151.3	-154.6	46.7	0	0	0	0	115.5	Y7	Y7-T9 HydrophobicContact CD1-CG2 4.49Å
10	L	30.1	Very low	28.4	Very low	156 Å²	156	152.5 Å²	152.5	82%	0.817	79%	0.785	S	S	*	*			trans	4	149	142.8	-77.2	172.5	0	0	0	119.6
11	P	36.7	Very low	28.1	Very low	130 Å²	130	152 Å²	152	84%	0.844	78%	0.784	S	S	*	*				-148	-171.8	62.7	41.1	-20.7	0	0	0	117.7
12	A	29.1	Very low	27.9	Very low	89 Å²	89	146.8 Å²	146.8	74%	0.736	76%	0.76	S	S	*	*			trans	-131.5	153.1	178.5	0	0	0	0	0	111.1
13	E	29.1	Very low	27.7	Very low	191 Å²	191	141.4 Å²	141.4	89%	0.893	76%	0.757	S	S	*	*			trans	157.9	152.9	163.3	-96.4	-178.3	-178.6	0	0	107.9
14	D	27.2	Very low	27.5	Very low	110 Å²	110	139 Å²	139	59%	0.588	75%	0.751	S	S	*	*			cis	-162.2	166.4	-19.3	-164.3	9.2	0	0	0	109.4
15	R	27.2	Very low	27.4	Very low	203 Å²	203	140.2 Å²	140.2	77%	0.766	76%	0.756	S	S	*	*			trans	65.2	128.5	156	-75.6	163.1	-151.2	-149	2.9	125.1
16	S	23	Very low	27.1	Very low	113 Å²	113	142 Å²	142	79%	0.79	76%	0.764	S	S	*	*			trans	75.2	155.1	132.5	78.3	0	0	0	0	119.5
17	V	25.6	Very low	27	Very low	124 Å²	124	141.4 Å²	141.4	75%	0.752	77%	0.768	S	S	*	*			cis	-160.2	158.8	-17.9	126.7	0	0	0	0	108.1
18	H	24.9	Very low	26.9	Very low	164 Å²	164	139.9 Å²	139.9	76%	0.759	77%	0.773	S	S	*	*			trans	-4.1	144.4	169.6	-65.4	-77.2	0	0	0	122.2
19	I	26.8	Very low	27	Very low	174 Å²	174	137.6 Å²	137.6	89%	0.892	77%	0.768	S	S	*	*				-169.8	163.7	118.7	-96	154.1	0	0	0	111.9
20	I	28.3	Very low	26.9	Very low	134 Å²	134	142.5 Å²	142.5	69%	0.687	78%	0.775	S	S	*	*			trans	-112.2	138.5	-165.9	-61.8	157.2	0	0	0	112	I22	I20-I22 HydrophobicContact CG2-CD1 4.49Å
21	N	23	Very low	26.7	Very low	142 Å²	142	143.1 Å²	143.1	76%	0.759	78%	0.778	S	S	*	*			trans	168	136.5	140.1	-91.8	-16.4	0	0	0	108.8
22	I	26.4	Very low	26.5	Very low	133 Å²	133	141.5 Å²	141.5	68%	0.682	77%	0.767	S	S	*	*			cis	82.1	115.5	44.7	-62.7	177.1	0	0	0	113.3	I20	I20-I22 HydrophobicContact CG2-CD1 4.49Å
23	C	25.5	Very low	26.4	Very low	124 Å²	124	143 Å²	143	84%	0.838	77%	0.772	S	S	*	*			trans	63.7	156.7	164.3	-69.6	0	0	0	0	118.3
24	A	24.8	Very low	26.3	Very low	76 Å²	76	143.1 Å²	143.1	63%	0.628	77%	0.773	S	S	*	*			cis	-171.1	153	-22.7	0	0	0	0	0	109.9
25	I	26.9	Very low	26.3	Very low	143 Å²	143	141.3 Å²	141.3	73%	0.733	78%	0.78	S	S	*	*			trans	64.7	144.2	141.2	-68.7	168.4	0	0	0	121.3
26	E	26.6	Very low	26.3	Very low	166 Å²	166	137.4 Å²	137.4	78%	0.776	78%	0.779	S	S	*	*			trans	77	108.8	159.6	-84.4	149.8	-142.4	0	0	122.6
27	D	26.2	Very low	26.8	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	78%	0.777	S	S	*	*				46.7	129.9	119.7	-64.5	3.6	0	0	0	122.6
28	I	27.4	Very low	27.1	Very low	179 Å²	179	140.6 Å²	140.6	92%	0.918	78%	0.782	S	S	*	*				171.4	145.2	118.6	-87.7	155.4	0	0	0	109.4
29	G	25.2	Very low	27.3	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	79%	0.788	S	S	*	*			trans	132.3	68.2	152.5	0	0	0	0	0	118.2
30	Y	25.7	Very low	27.7	Very low	223 Å²	223	137.1 Å²	137.1	88%	0.875	78%	0.778	S	S	*	*			trans	-71.5	144.2	159.8	-119.4	-99.8	0	0	0	110.8
31	L	25.5	Very low	28.1	Very low	169 Å²	169	138.5 Å²	138.5	89%	0.885	79%	0.786	S	S	*	*			trans	-157.2	134.1	142.4	-107	173.1	0	0	0	109.5
32	P	32.3	Very low	28.5	Very low	95 Å²	95	137.5 Å²	137.5	62%	0.617	79%	0.79	S	S	*	*			trans	-100.7	163.9	-173.1	38.8	-33	0	0	0	113
33	S	26.2	Very low	28.7	Very low	120 Å²	120	137 Å²	137	84%	0.839	79%	0.793	S	S	*	*			trans	-130.2	101.2	158.2	62.9	0	0	0	0	109.7
34	E	27.2	Very low	28.9	Very low	195 Å²	195	134.3 Å²	134.3	91%	0.911	77%	0.77	S	S	*	*			trans	-71.2	143.9	168.7	-70.6	-174.8	123.6	0	0	110.7
35	G	26.8	Very low	29.4	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	78%	0.776	S	S	*	*			trans	-151.5	42.3	-175.7	0	0	0	0	0	112.6
36	T	27.3	Very low	30	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	77%	0.765	S	S	*	*			trans	52.7	95.2	156.7	-41.8	0	0	0	0	118.5	L38	T36-L38 PolarHBondContact O-N 3.08Å
37	L	33.7	Very low	30.3	Very low	142 Å²	142	129 Å²	129	74%	0.743	75%	0.754	S	S	*	*				34.2	89.3	114.1	-84.4	158.6	0	0	0	117.7
38	L	32.8	Very low	30.7	Very low	162 Å²	162	130.9 Å²	130.9	85%	0.848	76%	0.758	S	S	*	*			trans	-166.4	76.1	142.2	-110.4	167.3	0	0	0	110.7	T36	T36-L38 PolarHBondContact O-N 3.08Å
39	N	28.8	Very low	31.4	Very low	167 Å²	167	124 Å²	124	89%	0.893	73%	0.725	S	S	*	*			trans	-173.2	48.2	157.5	-97.4	-21.6	0	0	0	111.4
40	S	35.6	Very low	32.7	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	71%	0.712	S	S	*	*			trans	-105	71.7	174.4	59.5	0	0	0	0	110.7
41	L	35.3	Very low	34.2	Very low	164 Å²	164	121.9 Å²	121.9	86%	0.859	70%	0.696	S	S	*	*	S	Bend	trans	-156.5	124.1	165.9	-103.1	155.4	0	0	0	108.9
42	S	32.3	Very low	35.9	Very low	120 Å²	120	114.2 Å²	114.2	84%	0.839	66%	0.658	S	S	*	*			trans	56.1	69.3	-175.5	58	0	0	0	0	116.7	D44	S42-D44 PolarHBondContact O-N 3.05Å
43	V	30.2	Very low	38	Very low	123 Å²	123	111.2 Å²	111.2	75%	0.745	64%	0.637	S	S	*	*			trans	-70.5	115.8	141.8	177.6	0	0	0	0	106.3
44	D	30.8	Very low	40.7	Very low	68 Å²	68	108.4 Å²	108.4	36%	0.364	61%	0.608	S	S	.	*			trans	-63.8	121.7	174	-167	-7.4	0	0	0	108.2	S42 D46 A47 K708	S42-D44 PolarHBondContact O-N 3.05Å; D44-D46 PolarHBondContact O-N 3.37Å; D44-A47 WeakPolarHBondContact O-CB 3.5Å; D44-A47 PolarHBondContact O-N 2.94Å; D44-K708 IonicContact OD1-NZ 3.31Å; D44-K708 PolarHBondContact OD1-NZ 2.99Å; D44-K708 WeakPolarHBondContact OD2-CE 3.39Å; D44-K708 IonicContact OD2-NZ 2.75Å; D44-K708 PolarHBondContact OD2-NZ 3.1Å
45	P	35.6	Very low	43.5	Very low	117 Å²	117	99.2 Å²	99.2	76%	0.76	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-13.8	-178.9	24.6	-34.3	0	0	0	113.2	A47	P45-A47 VanDerWaalsContact C-N 3.28Å; P45-A47 PolarHBondContact O-N 3.14Å
46	D	39	Very low	45.9	Very low	92 Å²	92	103.3 Å²	103.3	49%	0.492	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.1	-15.2	170.1	-70.7	-24	0	0	0	114	D44 E48 C49 K708	D44-D46 PolarHBondContact O-N 3.37Å; D46-E48 PolarHBondContact O-N 3.49Å; D46-C49 WeakPolarHBondContact O-CB 3.46Å; D46-C49 PolarHBondContact O-N 2.93Å; D46-K708 IonicContact OD2-NZ 3.91Å; D46-K708 PolarHBondContact OD2-NZ 3.34Å
47	A	33.1	Very low	48.3	Very low	65 Å²	65	100.8 Å²	100.8	54%	0.537	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-31.6	-169.7	0	0	0	0	0	114.4	D44 P45	D44-A47 WeakPolarHBondContact O-CB 3.5Å; D44-A47 PolarHBondContact O-N 2.94Å; P45-A47 VanDerWaalsContact C-N 3.28Å; P45-A47 PolarHBondContact O-N 3.14Å
48	E	34.8	Very low	50.2	Low	184 Å²	184	95.2 Å²	95.2	86%	0.86	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-4.4	176.4	-66	-169.3	150.2	0	0	113.3	D46 K50	D46-E48 PolarHBondContact O-N 3.49Å; E48-K50 PolarHBondContact O-N 3.23Å
49	C	41.4	Very low	52.3	Low	34 Å²	34	98 Å²	98	23%	0.23	52%	0.516	C	S	.	.	S	Bend	trans	-75.5	99.5	-174.7	-165.5	0	0	0	0	110.8	D46 Y51	D46-C49 WeakPolarHBondContact O-CB 3.46Å; D46-C49 PolarHBondContact O-N 2.93Å; C49-Y51 VanDerWaalsContact O-CA 3.29Å; C49-Y51 WeakPolarHBondContact O-CA 3.47Å; C49-Y51 PolarHBondContact O-N 3.43Å
50	K	51.6	Low	54.9	Low	113 Å²	113	94.2 Å²	94.2	49%	0.491	49%	0.49	S	S	.	.			trans	-41.2	98.7	178.5	-73.6	-176.4	178.1	178.9	0	111.9	E48 G52 L53 Y54	E48-K50 PolarHBondContact O-N 3.23Å; K50-G52 PolarHBondContact O-N 2.95Å; K50-L53 PolarHBondContact O-N 2.95Å; K50-Y54 HydrophobicContact CB-CD2 3.57Å; K50-Y54 HydrophobicContact CB-CE2 3.99Å; K50-Y54 HydrophobicContact CB-CG 4.46Å; K50-Y54 HydrophobicContact CD-CD2 4.01Å; K50-Y54 HydrophobicContact CD-CE2 3.72Å; K50-Y54 HydrophobicContact CG-CD2 4.44Å
51	Y	57	Low	57.2	Low	140 Å²	140	92.3 Å²	92.3	55%	0.549	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.6	95.3	-153.8	-57.7	-76	0	0	0	115	C49 L53 R712	C49-Y51 VanDerWaalsContact O-CA 3.29Å; C49-Y51 WeakPolarHBondContact O-CA 3.47Å; C49-Y51 PolarHBondContact O-N 3.43Å; Y51-L53 PolarHBondContact O-N 3.29Å; Y51-R712 WeakPolarHBondContact O-CG 3.04Å
52	G	62.8	Low	59.7	Low	7 Å²	7	84.8 Å²	84.8	7%	0.072	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	10.4	168.5	0	0	0	0	0	117.7	K50	K50-G52 PolarHBondContact O-N 2.95Å
53	L	76	Confident	62.5	Low	33 Å²	33	79.2 Å²	79.2	17%	0.173	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.5	172.8	-71.7	169.5	0	0	0	112	K50 Y51 V62 H284 D285 R712	K50-L53 PolarHBondContact O-N 2.95Å; Y51-L53 PolarHBondContact O-N 3.29Å; L53-V62 PolarHBondContact O-N 3.26Å; L53-H284 WeakPolarHBondContact CD2-O 3.28Å; L53-D285 VanDerWaalsContact CD1-O 3.3Å; L53-D285 WeakPolarHBondContact CD1-O 3.43Å; L53-R712 HydrophobicContact CD2-CG 4.47Å; L53-R712 HydrophobicContact CG-CG 4.25Å
54	Y	82.6	Confident	65.4	Low	60 Å²	60	73.5 Å²	73.5	24%	0.235	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-118.9	163.9	177.3	-63.8	-98	0	0	0	109.6	K50 R60 K61	K50-Y54 HydrophobicContact CB-CD2 3.57Å; K50-Y54 HydrophobicContact CB-CE2 3.99Å; K50-Y54 HydrophobicContact CB-CG 4.46Å; K50-Y54 HydrophobicContact CD-CD2 4.01Å; K50-Y54 HydrophobicContact CD-CE2 3.72Å; K50-Y54 HydrophobicContact CG-CD2 4.44Å; Y54-R60 CarbonylContact C-O 3.58Å; Y54-R60 WeakPolarHBondContact CA-O 3.42Å; Y54-K61 HydrophobicContact CD1-CB 4.13Å; Y54-K61 HydrophobicContact CE1-CB 3.92Å
55	F	85	Confident	68.3	Low	2 Å²	2	70.3 Å²	70.3	1%	0.009	34%	0.339	C	S	.	.			trans	-63.1	169.9	167.5	-80.8	40.9	0	0	0	109.7	D57 G58 R60 V62 E143 K157 H159	F55-D57 PolarHBondContact O-N 3.44Å; F55-G58 PolarHBondContact O-N 3.34Å; F55-R60 HydrophobicContact CB-CB 4.13Å; F55-R60 HydrophobicContact CD1-CB 4.19Å; F55-R60 WeakPolarHBondContact CD1-O 3.03Å; F55-R60 HydrophobicContact CD2-CB 4.47Å; F55-R60 HydrophobicContact CG-CB 4.02Å; F55-R60 PolarHBondContact N-O 3.34Å; F55-V62 HydrophobicContact CD1-CG2 3.79Å; F55-V62 HydrophobicContact CE1-CG2 4Å; F55-E143 WeakPolarHBondContact CA-OE2 3.41Å; F55-E143 WeakPolarHBondContact CB-OE2 3.44Å; F55-E143 HydrophobicContact CD2-CB 3.74Å; F55-E143 HydrophobicContact CD2-CG 4.46Å; F55-E143 WeakPolarHBondContact CD2-OE2 3.32Å; F55-E143 HydrophobicContact CE2-CB 3.55Å; F55-E143 HydrophobicContact CG-CB 4.43Å; F55-E143 HydrophobicContact CZ-CB 4.09Å; F55-K157 HydrophobicContact CD1-CB 4.44Å; F55-K157 HydrophobicContact CE1-CB 3.86Å; F55-K157 HydrophobicContact CZ-CB 4.18Å; F55-H159 HydrophobicContact CD1-CB 4.43Å; F55-H159 HydrophobicContact CE1-CB 3.6Å; F55-H159 HydrophobicContact CE2-CB 4.38Å; F55-H159 HydrophobicContact CZ-CB 3.58Å
56	R	78.1	Confident	71	Confident	158 Å²	158	64.7 Å²	64.7	60%	0.596	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.4	-179.8	-70.6	174.6	-176.5	-154.1	1.3	114.3	E143 D145	R56-E143 WeakPolarHBondContact CG-OE1 3.45Å; R56-E143 PolarHBondContact N-OE2 3.23Å; R56-E143 IonicContact NE-OE1 2.73Å; R56-D145 IonicContact CZ-OD1 3.61Å; R56-D145 IonicContact NE-OD2 2.75Å; R56-D145 IonicContact NH2-OD1 3.54Å; R56-D145 PolarHBondContact NH2-OD1 3.08Å; R56-D145 IonicContact NH2-OD2 2.71Å
57	D	77.3	Confident	73.5	Confident	68 Å²	68	60.3 Å²	60.3	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.1	174.8	64.8	22.9	0	0	0	115.4	F55 R59 R60	F55-D57 PolarHBondContact O-N 3.44Å; D57-R59 PolarHBondContact O-N 2.92Å; D57-R59 VanDerWaalsContact O-N 3.09Å; D57-R59 PolarHBondContact OD1-N 2.93Å; D57-R60 PolarHBondContact OD1-N 3.25Å; D57-R60 IonicContact OD2-CZ 3.64Å; D57-R60 IonicContact OD2-NE 2.72Å; D57-R60 PolarHBondContact OD2-NE 3.36Å; D57-R60 IonicContact OD2-NH2 2.69Å; D57-R60 PolarHBondContact OD2-NH2 2.92Å
58	G	73.6	Confident	76.1	Confident	26 Å²	26	57.6 Å²	57.6	27%	0.268	26%	0.255	S	S	.	.	S	Bend	trans	67	2.5	-178.5	0	0	0	0	0	115.9	F55	F55-G58 PolarHBondContact O-N 3.34Å
59	R	77.3	Confident	78.5	Confident	219 Å²	219	53.6 Å²	53.6	83%	0.826	24%	0.236	S	C	*	.	S	Bend	trans	-106.3	-44.5	-176	-65.9	-177	-177.1	-166.3	0.1	112.6	D57	D57-R59 PolarHBondContact O-N 2.92Å; D57-R59 VanDerWaalsContact O-N 3.09Å; D57-R59 PolarHBondContact OD1-N 2.93Å
60	R	82.9	Confident	80.1	Confident	89 Å²	89	53.5 Å²	53.5	34%	0.336	23%	0.232	S	C	.	.	S	Bend	trans	-87.4	115.1	-176.1	-72.9	175.1	-73.8	173.5	-0.4	111.3	Y54 F55 D57 E141	Y54-R60 CarbonylContact C-O 3.58Å; Y54-R60 WeakPolarHBondContact CA-O 3.42Å; F55-R60 HydrophobicContact CB-CB 4.13Å; F55-R60 HydrophobicContact CD1-CB 4.19Å; F55-R60 WeakPolarHBondContact CD1-O 3.03Å; F55-R60 HydrophobicContact CD2-CB 4.47Å; F55-R60 HydrophobicContact CG-CB 4.02Å; F55-R60 PolarHBondContact N-O 3.34Å; D57-R60 PolarHBondContact OD1-N 3.25Å; D57-R60 IonicContact OD2-CZ 3.64Å; D57-R60 IonicContact OD2-NE 2.72Å; D57-R60 PolarHBondContact OD2-NE 3.36Å; D57-R60 IonicContact OD2-NH2 2.69Å; D57-R60 PolarHBondContact OD2-NH2 2.92Å; R60-E141 WeakPolarHBondContact CD-OE2 3.42Å; R60-E141 IonicContact CZ-OE2 3.7Å; R60-E141 IonicContact NE-OE2 3.9Å; R60-E141 IonicContact NH1-OE2 2.65Å; R60-E141 PolarHBondContact NH1-OE2 2.91Å
61	K	84.8	Confident	80.6	Confident	56 Å²	56	55.4 Å²	55.4	24%	0.243	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-69.9	135.1	177	-176	170.2	179.3	169.2	0	111.2	Y54 D63 H159 D285	Y54-K61 HydrophobicContact CD1-CB 4.13Å; Y54-K61 HydrophobicContact CE1-CB 3.92Å; K61-D63 PolarHBondContact O-N 2.83Å; K61-H159 PolarHBondContact O-ND1 3.23Å; K61-D285 IonicContact NZ-OD1 2.75Å; K61-D285 PolarHBondContact NZ-OD1 3.37Å
62	V	88.1	Confident	80.2	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.042	24%	0.243	C	C	.	.			trans	-74.7	118.2	174.3	-176.4	0	0	0	0	109.5	L53 F55 I65 K157 L283	L53-V62 PolarHBondContact O-N 3.26Å; F55-V62 HydrophobicContact CD1-CG2 3.79Å; F55-V62 HydrophobicContact CE1-CG2 4Å; V62-I65 HydrophobicContact CG1-CD1 3.77Å; V62-I65 HydrophobicContact CG1-CG1 4.29Å; V62-K157 HydrophobicContact CG1-CB 4.1Å; V62-K157 HydrophobicContact CG2-CB 4.15Å; V62-K157 HydrophobicContact CG2-CD 4.3Å; V62-K157 HydrophobicContact CG2-CG 4.36Å; V62-L283 HydrophobicContact CB-CD1 3.99Å; V62-L283 HydrophobicContact CG1-CD1 3.7Å
63	D	89.6	Confident	79.1	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.016	28%	0.276	C	S	.	.			trans	-92.9	-29.3	-179.9	-67.1	-52	0	0	0	112.5	K61 I158 H159 A160 R246 S247 V250	K61-D63 PolarHBondContact O-N 2.83Å; D63-I158 PolarHBondContact N-O 3.01Å; D63-H159 IonicContact OD2-ND1 2.74Å; D63-A160 PolarHBondContact OD2-N 2.91Å; D63-R246 WeakPolarHBondContact OD1-CB 3.48Å; D63-R246 IonicContact OD1-CZ 3.71Å; D63-R246 IonicContact OD1-NE 2.65Å; D63-R246 PolarHBondContact OD1-NE 3.25Å; D63-R246 IonicContact OD1-NH2 3.39Å; D63-R246 PolarHBondContact OD1-NH2 3.39Å; D63-R246 IonicContact OD2-CZ 3.11Å; D63-R246 IonicContact OD2-NE 3.47Å; D63-R246 IonicContact OD2-NH2 3.63Å; D63-R246 PolarHBondContact OD2-NH2 3.33Å; D63-S247 PolarHBondContact O-OG 3.34Å; D63-V250 HydrophobicContact CB-CG2 3.94Å
64	Y	92.1	Very high	77.2	Confident	3 Å²	3	66 Å²	66	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153.1	-176.2	-141.5	-89.7	0	0	0	111.9	L66 I158 V250 Y251 L254 A280 P282 V776	Y64-L66 HydrophobicContact CD1-CD2 4.45Å; Y64-I158 PolarHBondContact N-O 3.34Å; Y64-I158 PolarHBondContact O-N 2.88Å; Y64-V250 HydrophobicContact CD2-CG1 4.37Å; Y64-V250 HydrophobicContact CG-CG1 4.12Å; Y64-Y251 HydrophobicContact CE2-CD2 4.26Å; Y64-Y251 AromaticContact CZ-CD2 3.92Å; Y64-Y251 WeakPolarHBondContact OH-CD2 3.29Å; Y64-L254 HydrophobicContact CD1-CD1 3.7Å; Y64-L254 HydrophobicContact CE1-CD1 3.84Å; Y64-L254 HydrophobicContact CG-CD1 4.15Å; Y64-A280 VanDerWaalsContact CE1-C 3.46Å; Y64-A280 HydrophobicContact CE1-CB 3.99Å; Y64-A280 PolarHBondContact OH-O 2.72Å; Y64-P282 HydrophobicContact CD2-CB 4.15Å; Y64-P282 HydrophobicContact CE2-CB 4.17Å; Y64-P282 HydrophobicContact CE2-CG 4.35Å; Y64-V776 HydrophobicContact CE2-CG2 3.96Å; Y64-V776 VanDerWaalsContact OH-CG2 3.25Å; Y64-V776 WeakPolarHBondContact OH-CG2 3.44Å
65	I	92.3	Very high	75	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.2	175.6	-65.9	-66.8	0	0	0	110.2	V62 V67 F155 V156 K157 A280 Y281 L283 Y713	V62-I65 HydrophobicContact CG1-CD1 3.77Å; V62-I65 HydrophobicContact CG1-CG1 4.29Å; I65-V67 HydrophobicContact CG2-CG2 3.75Å; I65-F155 HydrophobicContact CG2-CD1 3.96Å; I65-V156 WeakPolarHBondContact CA-O 3.33Å; I65-K157 HydrophobicContact CD1-CB 4.32Å; I65-K157 HydrophobicContact CD1-CG 3.89Å; I65-A280 WeakPolarHBondContact O-CA 3.46Å; I65-Y281 HydrophobicContact CB-CE2 4.4Å; I65-Y281 HydrophobicContact CG2-CE1 4.28Å; I65-Y281 HydrophobicContact CG2-CE2 4.5Å; I65-Y281 PolarHBondContact N-O 2.99Å; I65-Y281 PolarHBondContact O-N 3.13Å; I65-L283 HydrophobicContact CD1-CD1 4.19Å; I65-L283 HydrophobicContact CG1-CD1 3.91Å; I65-L283 HydrophobicContact CG1-CD2 3.9Å; I65-L283 HydrophobicContact CG1-CG 3.81Å; I65-Y713 HydrophobicContact CD1-CG 4.37Å
66	L	91.9	Very high	72.3	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	144	160.2	-53.5	177.9	0	0	0	109.6	Y64 Y131 L135 F155 V156 I158 L254 I268 Y277 A280	Y64-L66 HydrophobicContact CD1-CD2 4.45Å; L66-Y131 HydrophobicContact CD1-CE1 4.42Å; L66-L135 HydrophobicContact CD1-CD1 4.49Å; L66-F155 WeakPolarHBondContact O-CA 3.42Å; L66-V156 HydrophobicContact CB-CB 4.21Å; L66-V156 PolarHBondContact N-O 3.2Å; L66-V156 PolarHBondContact O-N 3.45Å; L66-I158 HydrophobicContact CD1-CD1 3.98Å; L66-I158 HydrophobicContact CG-CD1 3.89Å; L66-L254 HydrophobicContact CD1-CD2 4.42Å; L66-L254 HydrophobicContact CD2-CD1 4.48Å; L66-I268 HydrophobicContact CD2-CD1 4.23Å; L66-Y277 HydrophobicContact CB-CD1 3.99Å; L66-Y277 HydrophobicContact CB-CE1 3.96Å; L66-Y277 HydrophobicContact CD1-CE1 4.03Å; L66-Y277 HydrophobicContact CD1-CE2 4.24Å; L66-A280 HydrophobicContact CD2-CB 3.55Å
67	V	90.4	Very high	70.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.1	179.5	-171	0	0	0	0	109.3	I65 V153 F155 Y277 A278 A279 Y281 Y717	I65-V67 HydrophobicContact CG2-CG2 3.75Å; V67-V153 HydrophobicContact CG1-CG1 3.34Å; V67-F155 HydrophobicContact CG1-CD1 4.39Å; V67-F155 HydrophobicContact CG1-CE1 4.15Å; V67-F155 HydrophobicContact CG1-CZ 4.38Å; V67-F155 HydrophobicContact CG2-CD1 3.73Å; V67-F155 HydrophobicContact CG2-CE1 3.74Å; V67-Y277 CarbonylContact O-C 3.49Å; V67-Y277 WeakPolarHBondContact O-CA 3.41Å; V67-A278 PolarHBondContact O-N 2.96Å; V67-A279 HydrophobicContact CB-CB 4.22Å; V67-A279 HydrophobicContact CG2-CB 4.26Å; V67-A279 PolarHBondContact N-O 3.13Å; V67-A279 PolarHBondContact O-N 2.94Å; V67-Y281 HydrophobicContact CG2-CE1 3.72Å; V67-Y717 HydrophobicContact CB-CE2 4.24Å; V67-Y717 HydrophobicContact CG1-CD2 4.23Å; V67-Y717 HydrophobicContact CG1-CE2 3.77Å; V67-Y717 HydrophobicContact CG2-CD2 4.05Å; V67-Y717 HydrophobicContact CG2-CE2 4.21Å
68	Y	89.1	Confident	68	Low	7 Å²	7	78.4 Å²	78.4	3%	0.027	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.5	174.3	59.5	-82	0	0	0	111.3	H70 E146 V153 G154 V156 Y277	Y68-H70 HydrophobicContact CD2-CB 4.28Å; Y68-H70 HydrophobicContact CE2-CB 4.2Å; Y68-E146 WeakPolarHBondContact OH-CG 3.49Å; Y68-E146 PolarHBondContact OH-OE1 3.01Å; Y68-V153 WeakPolarHBondContact O-CA 3.44Å; Y68-G154 WeakPolarHBondContact CD1-O 3.28Å; Y68-G154 PolarHBondContact N-O 2.6Å; Y68-G154 PolarHBondContact O-N 2.74Å; Y68-V156 HydrophobicContact CD1-CG2 4.15Å; Y68-V156 HydrophobicContact CE1-CG2 3.67Å; Y68-Y277 HydrophobicContact CD1-CE1 4.35Å
69	H	84.2	Confident	65.8	Low	101 Å²	101	85 Å²	85	47%	0.468	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.3	167.9	-72	-65.4	0	0	0	110.1	G152	H69-G152 WeakPolarHBondContact CA-O 3.5Å; H69-G152 PolarHBondContact ND1-O 3.12Å
70	H	76.5	Confident	63.6	Low	31 Å²	31	80.6 Å²	80.6	14%	0.144	43%	0.431	C	S	.	.			trans	-138.7	142.1	172.2	74.4	-92.4	0	0	0	109.3	Y68 G152 G154	Y68-H70 HydrophobicContact CD2-CB 4.28Å; Y68-H70 HydrophobicContact CE2-CB 4.2Å; H70-G152 PolarHBondContact N-O 2.93Å; H70-G152 CarbonylContact O-C 3.56Å; H70-G152 WeakPolarHBondContact O-CA 3.43Å; H70-G154 PolarHBondContact ND1-N 3.22Å
71	K	61.4	Low	60.9	Low	153 Å²	153	87.3 Å²	87.3	67%	0.665	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-85.5	125.9	164.7	-65.9	176.8	-165.9	155.6	0	107.7	D118	K71-D118 IonicContact NZ-OD1 3.36Å; K71-D118 IonicContact NZ-OD2 2.82Å; K71-D118 PolarHBondContact NZ-OD2 3.22Å
72	R	48.5	Very low	58.2	Low	162 Å²	162	95.2 Å²	95.2	61%	0.611	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-68	132.6	161.1	-89.1	-171.7	169.6	-179.2	-4.9	108.4	S74 D147	R72-S74 PolarHBondContact O-N 3.48Å; R72-D147 IonicContact CZ-OD1 2.72Å; R72-D147 IonicContact NH1-OD1 3.35Å; R72-D147 IonicContact NH2-OD1 3.48Å; R72-D147 PolarHBondContact NH2-OD1 3.37Å
73	S	39.8	Very low	55.3	Low	110 Å²	110	101 Å²	101	77%	0.769	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-61.8	120.4	165.8	175	0	0	0	0	108.7	G75	S73-G75 PolarHBondContact O-N 3.16Å
74	S	36.9	Very low	52.4	Low	132 Å²	132	108.7 Å²	108.7	92%	0.923	56%	0.556	S	S	*	*	S	Bend	trans	-72.2	93.8	173.9	-70.8	0	0	0	0	109.9	R72	R72-S74 PolarHBondContact O-N 3.48Å
75	G	35.7	Very low	49.4	Very low	67 Å²	67	117.4 Å²	117.4	69%	0.691	60%	0.596	S	S	*	*			trans	111.8	77.4	164	0	0	0	0	0	115.6	S73	S73-G75 PolarHBondContact O-N 3.16Å
76	S	28.3	Very low	46.1	Very low	111 Å²	111	122 Å²	122	78%	0.776	63%	0.628	S	S	*	*			trans	-113.1	94.4	140.6	-167.5	0	0	0	0	108.2	T78	S76-T78 PolarHBondContact O-N 3.36Å
77	R	34.3	Very low	43	Very low	240 Å²	240	129.3 Å²	129.3	91%	0.906	67%	0.667	S	S	*	*			trans	-69.8	108	166.4	-93.8	180	161.2	172	-6	106.9	L79	R77-L79 PolarHBondContact O-N 3.37Å
78	T	29.9	Very low	39.8	Very low	130 Å²	130	135.1 Å²	135.1	80%	0.798	70%	0.703	S	S	*	*			trans	-58.9	99.6	171.9	13	0	0	0	0	109.6	S76 V80	S76-T78 PolarHBondContact O-N 3.36Å; T78-V80 PolarHBondContact O-N 3.14Å
79	L	28.5	Very low	36.8	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	74%	0.741	S	S	*	*			trans	-79.7	92.6	179.6	-151.6	140.8	0	0	0	108.3	R77 R81	R77-L79 PolarHBondContact O-N 3.37Å; L79-R81 PolarHBondContact O-N 3.29Å; L79-R81 VanDerWaalsContact O-N 3.07Å
80	V	30.3	Very low	34	Very low	128 Å²	128	141.8 Å²	141.8	78%	0.776	76%	0.756	S	S	*	*			trans	-60.6	112	178.7	176	0	0	0	0	109	T78 R82	T78-V80 PolarHBondContact O-N 3.14Å; V80-R82 PolarHBondContact O-N 3.37Å
81	R	26.2	Very low	31.6	Very low	229 Å²	229	143.5 Å²	143.5	86%	0.864	78%	0.783	S	S	*	*			trans	-71.5	86.4	-178.8	-172.6	179.1	-174.3	169.5	1.4	110.5	L79 V83	L79-R81 PolarHBondContact O-N 3.29Å; L79-R81 VanDerWaalsContact O-N 3.07Å; R81-V83 PolarHBondContact O-N 2.85Å
82	R	27.9	Very low	29.8	Very low	223 Å²	223	141 Å²	141	84%	0.842	79%	0.791	S	S	*	*			trans	-76.7	119.4	170	-142.6	178.5	-157.9	170.8	5.8	108.9	V80	V80-R82 PolarHBondContact O-N 3.37Å
83	V	28.4	Very low	28.8	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	80%	0.802	S	S	*	*			trans	-81.1	120.3	173.5	174.6	0	0	0	0	108.5	R81	R81-V83 PolarHBondContact O-N 2.85Å
84	Q	28.1	Very low	28.1	Very low	164 Å²	164	143.5 Å²	143.5	77%	0.766	80%	0.798	S	S	*	*			trans	-156.3	162.2	160.7	-117.2	161.1	-14.3	0	0	110.6
85	H	28.3	Very low	27.7	Very low	186 Å²	186	142.4 Å²	142.4	86%	0.861	79%	0.785	S	S	*	*			trans	-66.7	154.6	-150.2	-81.4	-86.2	0	0	0	117.1
86	S	23.7	Very low	27.3	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	78%	0.784	S	S	*	*			trans	-62.7	139.8	159.9	50.1	0	0	0	0	112.1
87	D	25.9	Very low	27.2	Very low	154 Å²	154	150.2 Å²	150.2	82%	0.824	79%	0.789	S	S	*	*				-160.3	162.2	129.8	-97.2	-23.3	0	0	0	111.3
88	T	25.1	Very low	26.6	Very low	122 Å²	122	143.8 Å²	143.8	75%	0.748	77%	0.773	S	S	*	*			trans	-32.6	153.6	176.4	34.4	0	0	0	0	117.1
89	T	26.1	Very low	26.5	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	77%	0.774	S	S	*	*			cis	-165.9	178.3	36.6	-16.7	0	0	0	0	113
90	S	24.5	Very low	27.3	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	76%	0.762	S	S	*	*			trans	-87.4	161.3	-174.6	53.9	0	0	0	0	118
91	G	25	Very low	27.1	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	77%	0.765	S	S	*	*			trans	110	119.5	157.8	0	0	0	0	0	113.8
92	A	25.2	Very low	27.5	Very low	100 Å²	100	139 Å²	139	83%	0.826	76%	0.762	S	S	*	*				57.7	130.8	65.2	0	0	0	0	0	112
93	R	26.2	Very low	27.4	Very low	227 Å²	227	131.9 Å²	131.9	86%	0.857	76%	0.757	S	S	*	*			cis	-171	177.2	20.7	-144	175.5	-168.3	166.1	1.5	109.5
94	S	25.1	Very low	27.2	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	77%	0.767	S	S	*	*			trans	80	146	141.2	-77.5	0	0	0	0	121
95	V	28.6	Very low	27.1	Very low	108 Å²	108	132.7 Å²	132.7	66%	0.655	77%	0.772	S	S	*	*			cis	-172.1	168	-15.2	74.8	0	0	0	0	112.7
96	K	27.3	Very low	27	Very low	152 Å²	152	128.5 Å²	128.5	66%	0.661	77%	0.77	S	S	*	*			trans	79.5	146.4	155.1	-76.7	171.8	-171.5	-177.6	0	117.5	D98	K96-D98 WeakPolarHBondContact CG-OD1 3.49Å
97	Q	26.1	Very low	27.4	Very low	190 Å²	190	129.1 Å²	129.1	89%	0.888	77%	0.771	S	S	*	*			cis	-142.1	155	38.4	-154.8	163.7	11	0	0	118.8
98	D	23.3	Very low	27.5	Very low	105 Å²	105	129.2 Å²	129.2	56%	0.561	77%	0.771	S	S	*	*			trans	-140	149.8	-159	15	-93.9	0	0	0	111.3	K96	K96-D98 WeakPolarHBondContact CG-OD1 3.49Å
99	H	27.1	Very low	27.4	Very low	175 Å²	175	131.3 Å²	131.3	81%	0.81	78%	0.777	S	S	*	*			cis	-142.1	-70.8	-7.7	-164.4	6.6	0	0	0	117.6
100	P	44.8	Very low	27.4	Very low	93 Å²	93	131.5 Å²	131.5	60%	0.604	78%	0.778	S	S	*	*			trans	-146.4	173.4	-144.4	40.9	-19.3	0	0	0	119.8
101	L	25.5	Very low	27.5	Very low	160 Å²	160	129.4 Å²	129.4	84%	0.838	78%	0.775	S	S	*	*				178.5	161	114.7	-90	176.3	0	0	0	111.1
102	P	35.9	Very low	27.5	Very low	123 Å²	123	132 Å²	132	80%	0.799	78%	0.783	S	S	*	*				-131.9	177.3	-124.3	44	-29.9	0	0	0	116.8
103	G	24.4	Very low	27.6	Very low	73 Å²	73	132 Å²	132	75%	0.753	78%	0.782	S	S	*	*			trans	-176.8	112.3	164.2	0	0	0	0	0	117.3
104	K	25.1	Very low	27.7	Very low	224 Å²	224	129 Å²	129	97%	0.974	78%	0.778	S	S	*	*			trans	56.1	106.9	158.8	-75.8	178.5	173.1	175.1	0	120.1
105	G	26.1	Very low	28.1	Very low	85 Å²	85	129.6 Å²	129.6	88%	0.876	78%	0.779	S	S	*	*			trans	176.1	125.5	159.5	0	0	0	0	0	110.5
106	A	25.5	Very low	28.4	Very low	98 Å²	98	130.5 Å²	130.5	81%	0.81	79%	0.787	S	S	*	*			trans	-136.6	178.6	-173.6	0	0	0	0	0	109.6
107	P	32.5	Very low	29	Very low	109 Å²	109	129.4 Å²	129.4	71%	0.708	79%	0.787	S	S	*	*				-135	-177.4	-57.7	39.1	-25	0	0	0	113.5
108	L	27.2	Very low	30.2	Very low	156 Å²	156	123.6 Å²	123.6	82%	0.817	76%	0.761	S	S	*	*			trans	75.8	96.2	153.7	-85	145.9	0	0	0	119.3
109	D	23.7	Very low	31.9	Very low	165 Å²	165	127.2 Å²	127.2	88%	0.882	77%	0.768	S	S	*	*			trans	-56	139.5	158.1	-71.9	-60.9	0	0	0	112.3
110	T	26.8	Very low	33.7	Very low	138 Å²	138	125.8 Å²	125.8	85%	0.847	76%	0.762	S	S	*	*			trans	-133.5	122.5	166.5	-25.4	0	0	0	0	110
111	G	25.2	Very low	34.9	Very low	71 Å²	71	123.8 Å²	123.8	73%	0.732	74%	0.744	S	S	*	*			trans	70.4	116.4	156.6	0	0	0	0	0	117.5	A113	G111-A113 PolarHBondContact O-N 3.07Å
112	S	26.2	Very low	37.3	Very low	123 Å²	123	120.2 Å²	120.2	86%	0.86	73%	0.726	S	S	*	*			trans	-57.8	104.5	156.2	50.1	0	0	0	0	110.1	E114	S112-E114 PolarHBondContact O-N 3.21Å
113	A	26.3	Very low	39.4	Very low	98 Å²	98	117.1 Å²	117.1	81%	0.81	70%	0.703	S	S	*	*			trans	-73.1	115.1	170.3	0	0	0	0	0	109.3	G111	G111-A113 PolarHBondContact O-N 3.07Å
114	E	28	Very low	42.1	Very low	166 Å²	166	116.2 Å²	116.2	78%	0.776	68%	0.678	S	S	*	*			trans	-58.8	145.7	168.6	-64.3	-176.4	142.8	0	0	110.3	S112	S112-E114 PolarHBondContact O-N 3.21Å
115	P	35.4	Very low	44.8	Very low	109 Å²	109	112 Å²	112	71%	0.708	66%	0.656	S	S	*	*			trans	-63.2	144.9	169.9	28.6	-34	0	0	0	109.9	M117	P115-M117 PolarHBondContact O-N 3.44Å; P115-M117 VanDerWaalsContact O-N 3.08Å
116	P	34.1	Very low	47.6	Very low	127 Å²	127	113.6 Å²	113.6	83%	0.825	64%	0.639	S	S	*	*			trans	-64.1	114.7	-175.2	25.1	-33.7	0	0	0	111.4	D118	P116-D118 PolarHBondContact O-N 3.34Å
117	M	39.1	Very low	50.2	Low	130 Å²	130	111.5 Å²	111.5	64%	0.64	61%	0.611	S	S	*	*			trans	-57	129.4	176.9	-79.2	-78.3	-73.9	0	0	112	P115 Y119	P115-M117 PolarHBondContact O-N 3.44Å; P115-M117 VanDerWaalsContact O-N 3.08Å; M117-Y119 HydrophobicContact CB-CD2 3.86Å; M117-Y119 HydrophobicContact CB-CE2 4.03Å; M117-Y119 PolarHBondContact O-N 2.84Å
118	D	52.3	Low	52.8	Low	67 Å²	67	107.2 Å²	107.2	36%	0.358	58%	0.58	S	S	.	*			trans	-79.8	48.4	-171.4	-149.7	-9.3	0	0	0	112.7	K71 P116 H120 E121 D122	K71-D118 IonicContact NZ-OD1 3.36Å; K71-D118 IonicContact NZ-OD2 2.82Å; K71-D118 PolarHBondContact NZ-OD2 3.22Å; P116-D118 PolarHBondContact O-N 3.34Å; D118-H120 PolarHBondContact O-N 2.88Å; D118-E121 PolarHBondContact O-N 2.85Å; D118-D122 PolarHBondContact O-N 2.83Å; D118-D122 VanDerWaalsContact O-N 3.12Å
119	Y	59.3	Low	55.7	Low	181 Å²	181	103.4 Å²	103.4	71%	0.71	56%	0.558	S	S	*	*	H	α-helix	trans	-46.8	-31.2	-174.7	-98.6	-89.1	0	0	0	114.5	M117 D123	M117-Y119 HydrophobicContact CB-CD2 3.86Å; M117-Y119 HydrophobicContact CB-CE2 4.03Å; M117-Y119 PolarHBondContact O-N 2.84Å; Y119-D123 VanDerWaalsContact O-CB 3.3Å; Y119-D123 WeakPolarHBondContact O-CB 3.4Å; Y119-D123 PolarHBondContact O-N 3.43Å; Y119-D123 VanDerWaalsContact O-N 3.11Å
120	H	64.7	Low	58.7	Low	145 Å²	145	96.3 Å²	96.3	67%	0.671	52%	0.52	S	S	*	.	H	α-helix	trans	-78.3	-33.2	179.3	-89.6	-61.9	0	0	0	113.9	D118 K124	D118-H120 PolarHBondContact O-N 2.88Å; H120-K124 VanDerWaalsContact O-CG 3.28Å; H120-K124 WeakPolarHBondContact O-CG 3.39Å; H120-K124 PolarHBondContact O-N 3.27Å
121	E	70.1	Confident	61.6	Low	51 Å²	51	89.7 Å²	89.7	24%	0.238	48%	0.479	C	S	.	.	H	α-helix	trans	-78.9	-33.9	174.4	-68.8	-57	141.8	0	0	111.3	D118 K124 R125	D118-E121 PolarHBondContact O-N 2.85Å; E121-K124 PolarHBondContact O-N 2.89Å; E121-K124 IonicContact OE1-NZ 3.32Å; E121-K124 PolarHBondContact OE1-NZ 2.89Å; E121-K124 IonicContact OE2-NZ 3.93Å; E121-R125 WeakPolarHBondContact O-CB 3.11Å; E121-R125 PolarHBondContact O-N 3.4Å
122	D	75.5	Confident	64.7	Low	86 Å²	86	86.6 Å²	86.6	46%	0.46	45%	0.446	S	S	.	.	H	α-helix	trans	-65.6	-41.4	172.8	-72.1	-31.5	0	0	0	112.1	D118 R125 F126	D118-D122 PolarHBondContact O-N 2.83Å; D118-D122 VanDerWaalsContact O-N 3.12Å; D122-R125 PolarHBondContact O-N 3.38Å; D122-F126 WeakPolarHBondContact O-CB 3.42Å; D122-F126 PolarHBondContact O-N 2.97Å
123	D	78.8	Confident	67.7	Low	58 Å²	58	82 Å²	82	31%	0.31	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-40.7	172.6	170	60.3	0	0	0	112.3	Y119 R127	Y119-D123 VanDerWaalsContact O-CB 3.3Å; Y119-D123 WeakPolarHBondContact O-CB 3.4Å; Y119-D123 PolarHBondContact O-N 3.43Å; Y119-D123 VanDerWaalsContact O-N 3.11Å; D123-R127 VanDerWaalsContact O-CG 3.22Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 3.26Å; D123-R127 VanDerWaalsContact O-N 3.08Å; D123-R127 IonicContact OD1-CZ 2.69Å; D123-R127 IonicContact OD1-NE 3.8Å; D123-R127 PolarHBondContact OD1-NE 3.07Å; D123-R127 IonicContact OD1-NH2 2.87Å; D123-R127 PolarHBondContact OD1-NH2 3.21Å; D123-R127 IonicContact OD2-CZ 2.71Å; D123-R127 IonicContact OD2-NE 2.82Å; D123-R127 PolarHBondContact OD2-NE 3.32Å; D123-R127 IonicContact OD2-NH1 2.83Å; D123-R127 IonicContact OD2-NH2 2.9Å; D123-R127 PolarHBondContact OD2-NH2 2.88Å
124	K	81.8	Confident	70.8	Confident	54 Å²	54	78.4 Å²	78.4	24%	0.235	39%	0.385	C	S	.	.	H	α-helix	trans	-62.7	-44	172	-72.8	171.4	-170.6	174.7	0	111.6	H120 E121 R127 R128 V276	H120-K124 VanDerWaalsContact O-CG 3.28Å; H120-K124 WeakPolarHBondContact O-CG 3.39Å; H120-K124 PolarHBondContact O-N 3.27Å; E121-K124 PolarHBondContact O-N 2.89Å; E121-K124 IonicContact OE1-NZ 3.32Å; E121-K124 PolarHBondContact OE1-NZ 2.89Å; E121-K124 IonicContact OE2-NZ 3.93Å; K124-R127 PolarHBondContact O-N 3.15Å; K124-R128 WeakPolarHBondContact O-CG 3.36Å; K124-R128 PolarHBondContact O-N 3.23Å; K124-V276 HydrophobicContact CG-CG2 4.27Å
125	R	82.5	Confident	73.7	Confident	135 Å²	135	70.5 Å²	70.5	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-48.6	179.5	-179.2	-178.1	176	170.5	3.2	111.1	E121 D122 R127 R128 E129	E121-R125 WeakPolarHBondContact O-CB 3.11Å; E121-R125 PolarHBondContact O-N 3.4Å; D122-R125 PolarHBondContact O-N 3.38Å; R125-R127 VanDerWaalsContact C-N 3.3Å; R125-R127 PolarHBondContact O-N 2.95Å; R125-R128 WeakPolarHBondContact O-CB 3.5Å; R125-R128 PolarHBondContact O-N 2.86Å; R125-R128 VanDerWaalsContact O-N 3.11Å; R125-E129 IonicContact CZ-OE1 3.57Å; R125-E129 IonicContact NE-OE1 2.77Å; R125-E129 PolarHBondContact NE-OE1 2.7Å; R125-E129 IonicContact NH2-OE1 3.52Å; R125-E129 PolarHBondContact NH2-OE1 2.9Å; R125-E129 PolarHBondContact O-N 3.49Å
126	F	83.8	Confident	76.4	Confident	118 Å²	118	70 Å²	70	52%	0.518	34%	0.339	S	S	.	.	H	α-helix	trans	-56.5	-44.3	176.4	180	-94.7	0	0	0	111.6	D122 R128 E129 E130	D122-F126 WeakPolarHBondContact O-CB 3.42Å; D122-F126 PolarHBondContact O-N 2.97Å; F126-R128 PolarHBondContact O-N 2.82Å; F126-E129 PolarHBondContact O-N 3.14Å; F126-E130 WeakPolarHBondContact O-CB 3.33Å; F126-E130 PolarHBondContact O-N 2.97Å
127	R	81.6	Confident	79	Confident	55 Å²	55	71.5 Å²	71.5	21%	0.208	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-36.5	176	-69.1	172.1	-164.2	-165	8.5	113.3	D123 K124 R125 Y131 V276	D123-R127 VanDerWaalsContact O-CG 3.22Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 3.26Å; D123-R127 VanDerWaalsContact O-N 3.08Å; D123-R127 IonicContact OD1-CZ 2.69Å; D123-R127 IonicContact OD1-NE 3.8Å; D123-R127 PolarHBondContact OD1-NE 3.07Å; D123-R127 IonicContact OD1-NH2 2.87Å; D123-R127 PolarHBondContact OD1-NH2 3.21Å; D123-R127 IonicContact OD2-CZ 2.71Å; D123-R127 IonicContact OD2-NE 2.82Å; D123-R127 PolarHBondContact OD2-NE 3.32Å; D123-R127 IonicContact OD2-NH1 2.83Å; D123-R127 IonicContact OD2-NH2 2.9Å; D123-R127 PolarHBondContact OD2-NH2 2.88Å; K124-R127 PolarHBondContact O-N 3.15Å; R125-R127 VanDerWaalsContact C-N 3.3Å; R125-R127 PolarHBondContact O-N 2.95Å; R127-Y131 VanDerWaalsContact O-CB 3.24Å; R127-Y131 WeakPolarHBondContact O-CB 3.43Å; R127-Y131 PolarHBondContact O-N 3.46Å; R127-V276 HydrophobicContact CB-CG1 4.44Å
128	R	86.5	Confident	81.3	Confident	19 Å²	19	66.2 Å²	66.2	7%	0.072	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-48.4	172.4	-72.6	-170.4	-65.2	-103.4	0.5	111.3	K124 R125 F126 E130 Y131 E132 V276 Y277	K124-R128 WeakPolarHBondContact O-CG 3.36Å; K124-R128 PolarHBondContact O-N 3.23Å; R125-R128 WeakPolarHBondContact O-CB 3.5Å; R125-R128 PolarHBondContact O-N 2.86Å; R125-R128 VanDerWaalsContact O-N 3.11Å; F126-R128 PolarHBondContact O-N 2.82Å; R128-E130 VanDerWaalsContact C-N 3.34Å; R128-E130 PolarHBondContact O-N 3.46Å; R128-Y131 PolarHBondContact O-N 3.14Å; R128-E132 WeakPolarHBondContact O-CB 3.32Å; R128-E132 WeakPolarHBondContact O-CG 3.44Å; R128-E132 PolarHBondContact O-N 2.91Å; R128-V276 HydrophobicContact CG-CG1 3.44Å; R128-V276 VanDerWaalsContact CG-CG1 3.44Å; R128-V276 PolarHBondContact NH1-O 3.46Å; R128-V276 VanDerWaalsContact NH1-O 3.15Å; R128-Y277 HydrophobicContact CG-CE1 4.06Å; R128-Y277 HydrophobicContact CG-CE2 4.36Å
129	E	87.4	Confident	83.1	Confident	76 Å²	76	64.3 Å²	64.3	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-64.6	-37.4	-179.2	-70.8	175.1	-177.7	0	0	111.8	R125 F126 G133	R125-E129 IonicContact CZ-OE1 3.57Å; R125-E129 IonicContact NE-OE1 2.77Å; R125-E129 PolarHBondContact NE-OE1 2.7Å; R125-E129 IonicContact NH2-OE1 3.52Å; R125-E129 PolarHBondContact NH2-OE1 2.9Å; R125-E129 PolarHBondContact O-N 3.49Å; F126-E129 PolarHBondContact O-N 3.14Å; E129-G133 PolarHBondContact O-N 2.9Å
130	E	86.6	Confident	84.7	Confident	15 Å²	15	55.9 Å²	55.9	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-49	170.3	-168.1	-162.9	155.6	0	0	111.7	F126 R128 G133 N134 C259 T260 K261 A262	F126-E130 WeakPolarHBondContact O-CB 3.33Å; F126-E130 PolarHBondContact O-N 2.97Å; R128-E130 VanDerWaalsContact C-N 3.34Å; R128-E130 PolarHBondContact O-N 3.46Å; E130-G133 PolarHBondContact O-N 3.4Å; E130-N134 VanDerWaalsContact O-CG 3.25Å; E130-N134 PolarHBondContact O-N 3.34Å; E130-N134 PolarHBondContact O-OD1 3.25Å; E130-C259 WeakPolarHBondContact OE1-CA 3.38Å; E130-T260 PolarHBondContact OE1-N 3.08Å; E130-K261 HydrophobicContact CG-CD 4.42Å; E130-K261 PolarHBondContact OE1-N 3.15Å; E130-A262 PolarHBondContact OE2-N 3.09Å
131	Y	88.8	Confident	86	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-43.7	-177.7	-175.7	-104.4	0	0	0	112.3	L66 R127 R128 N134 L135 L254 T257 I268 L271 Y277	L66-Y131 HydrophobicContact CD1-CE1 4.42Å; R127-Y131 VanDerWaalsContact O-CB 3.24Å; R127-Y131 WeakPolarHBondContact O-CB 3.43Å; R127-Y131 PolarHBondContact O-N 3.46Å; R128-Y131 PolarHBondContact O-N 3.14Å; Y131-N134 PolarHBondContact O-N 2.99Å; Y131-L135 HydrophobicContact CD1-CD1 3.94Å; Y131-L135 HydrophobicContact CD1-CG 4.42Å; Y131-L135 HydrophobicContact CE1-CD1 3.57Å; Y131-L135 HydrophobicContact CE1-CD2 4.42Å; Y131-L135 HydrophobicContact CE1-CG 4.09Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 3.4Å; Y131-L254 HydrophobicContact CE1-CD2 4.09Å; Y131-L254 WeakPolarHBondContact OH-CA 3.4Å; Y131-L254 VanDerWaalsContact OH-CD2 3.28Å; Y131-L254 WeakPolarHBondContact OH-CD2 3.24Å; Y131-L254 PolarHBondContact OH-O 3.49Å; Y131-T257 PolarHBondContact OH-OG1 3.01Å; Y131-I268 HydrophobicContact CE1-CD1 4.04Å; Y131-L271 HydrophobicContact CD1-CD1 3.91Å; Y131-L271 HydrophobicContact CD2-CD1 3.49Å; Y131-L271 VanDerWaalsContact CD2-CD1 3.49Å; Y131-L271 HydrophobicContact CE1-CD1 4.29Å; Y131-L271 HydrophobicContact CE2-CD1 3.92Å; Y131-L271 HydrophobicContact CG-CD1 3.49Å; Y131-L271 VanDerWaalsContact CG-CD1 3.49Å; Y131-Y277 AromaticContact CD1-CE2 3.81Å; Y131-Y277 HydrophobicContact CD1-CE2 3.81Å; Y131-Y277 HydrophobicContact CE1-CE2 4.21Å
132	E	90.3	Very high	87	Confident	5 Å²	5	51.1 Å²	51.1	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-68	-35.4	176.5	-72.2	169.7	-148.7	0	0	111.9	R128 L135 L136 L142 R144 Y277	R128-E132 WeakPolarHBondContact O-CB 3.32Å; R128-E132 WeakPolarHBondContact O-CG 3.44Å; R128-E132 PolarHBondContact O-N 2.91Å; E132-L135 PolarHBondContact O-N 3.2Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.21Å; E132-L142 HydrophobicContact CB-CD1 3.77Å; E132-L142 HydrophobicContact CG-CD1 4.07Å; E132-R144 IonicContact OE2-CZ 2.79Å; E132-R144 IonicContact OE2-NE 3.11Å; E132-R144 PolarHBondContact OE2-NE 3.34Å; E132-R144 IonicContact OE2-NH2 2.61Å; E132-R144 PolarHBondContact OE2-NH2 2.96Å; E132-Y277 WeakPolarHBondContact CG-OH 3.36Å; E132-Y277 PolarHBondContact OE1-OH 2.69Å
133	G	89.3	Confident	87.7	Confident	27 Å²	27	48.3 Å²	48.3	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-57.2	-48	167.9	0	0	0	0	0	112.2	E129 E130 L135 L136 E137	E129-G133 PolarHBondContact O-N 2.9Å; E130-G133 PolarHBondContact O-N 3.4Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.08Å; G133-L136 WeakPolarHBondContact O-CB 3.41Å; G133-L136 PolarHBondContact O-N 3.13Å; G133-E137 WeakPolarHBondContact O-CG 3.32Å; G133-E137 PolarHBondContact O-N 2.83Å
134	N	89.8	Confident	88	Confident	23 Å²	23	51 Å²	51	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-26.5	178.1	-61.6	-3.6	0	0	0	112.7	E130 Y131 A138 T258	E130-N134 VanDerWaalsContact O-CG 3.25Å; E130-N134 PolarHBondContact O-N 3.34Å; E130-N134 PolarHBondContact O-OD1 3.25Å; Y131-N134 PolarHBondContact O-N 2.99Å; N134-A138 WeakPolarHBondContact O-CB 3.33Å; N134-A138 PolarHBondContact O-N 3.47Å; N134-T258 PolarHBondContact ND2-O 2.78Å
135	L	90.4	Very high	87.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.5	-39.4	172.2	-70	173.1	0	0	0	112.3	L66 Y131 E132 G133 A138 G139 L140 L142 I253 L254 T257	L66-L135 HydrophobicContact CD1-CD1 4.49Å; Y131-L135 HydrophobicContact CD1-CD1 3.94Å; Y131-L135 HydrophobicContact CD1-CG 4.42Å; Y131-L135 HydrophobicContact CE1-CD1 3.57Å; Y131-L135 HydrophobicContact CE1-CD2 4.42Å; Y131-L135 HydrophobicContact CE1-CG 4.09Å; Y131-L135 WeakPolarHBondContact O-CG 3.39Å; Y131-L135 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.2Å; G133-L135 VanDerWaalsContact C-N 3.27Å; G133-L135 PolarHBondContact O-N 3.08Å; L135-A138 WeakPolarHBondContact O-CB 3.42Å; L135-A138 PolarHBondContact O-N 3.05Å; L135-G139 PolarHBondContact O-N 2.91Å; L135-L140 HydrophobicContact CB-CD1 4.48Å; L135-L140 HydrophobicContact CD2-CD1 3.83Å; L135-L140 PolarHBondContact O-N 3.41Å; L135-L140 VanDerWaalsContact O-N 3.08Å; L135-L142 HydrophobicContact CB-CD1 4.26Å; L135-L142 HydrophobicContact CD1-CD2 4.47Å; L135-I253 HydrophobicContact CD2-CG2 4.48Å; L135-L254 HydrophobicContact CD1-CD2 3.83Å; L135-L254 HydrophobicContact CD2-CD2 3.71Å; L135-L254 HydrophobicContact CG-CD2 4.45Å; L135-T257 HydrophobicContact CD2-CG2 3.96Å
136	L	91.4	Very high	87.4	Confident	99 Å²	99	46.5 Å²	46.5	52%	0.518	23%	0.23	S	C	.	.	H	α-helix	trans	-63.9	-42.8	172.3	-65.9	166	0	0	0	110.6	E132 G133 A138 G139 L142	E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.21Å; G133-L136 WeakPolarHBondContact O-CB 3.41Å; G133-L136 PolarHBondContact O-N 3.13Å; L136-A138 VanDerWaalsContact C-N 3.28Å; L136-A138 PolarHBondContact O-N 2.92Å; L136-G139 WeakPolarHBondContact O-CA 3.48Å; L136-G139 PolarHBondContact O-N 3.13Å; L136-L142 HydrophobicContact CD1-CD1 4.47Å; L136-L142 HydrophobicContact CD2-CB 4.27Å; L136-L142 HydrophobicContact CD2-CD1 4.09Å; L136-L142 HydrophobicContact CD2-CG 3.98Å; L136-L142 HydrophobicContact CG-CD1 3.91Å; L136-L142 HydrophobicContact CG-CG 4.34Å
137	E	89.6	Confident	86.3	Confident	157 Å²	157	46.6 Å²	46.6	73%	0.734	24%	0.236	S	C	*	.	H	α-helix	trans	-61.9	-32.9	173.1	-71.5	-179.4	-170.8	0	0	112.7	G133 G139	G133-E137 WeakPolarHBondContact O-CG 3.32Å; G133-E137 PolarHBondContact O-N 2.83Å; E137-G139 PolarHBondContact O-N 3.05Å
138	A	87.1	Confident	85.3	Confident	19 Å²	19	44.8 Å²	44.8	16%	0.157	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.7	172.1	0	0	0	0	0	113.5	N134 L135 L136 R167 I253 T257	N134-A138 WeakPolarHBondContact O-CB 3.33Å; N134-A138 PolarHBondContact O-N 3.47Å; L135-A138 WeakPolarHBondContact O-CB 3.42Å; L135-A138 PolarHBondContact O-N 3.05Å; L136-A138 VanDerWaalsContact C-N 3.28Å; L136-A138 PolarHBondContact O-N 2.92Å; A138-R167 PolarHBondContact O-NH1 3.4Å; A138-R167 PolarHBondContact O-NH2 3.46Å; A138-I253 HydrophobicContact CB-CG2 4.18Å; A138-T257 HydrophobicContact CB-CG2 4.17Å
139	G	89.3	Confident	84.1	Confident	28 Å²	28	49.3 Å²	49.3	29%	0.289	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	12.8	178.4	0	0	0	0	0	115.1	L135 L136 E137 P161 V164	L135-G139 PolarHBondContact O-N 2.91Å; L136-G139 WeakPolarHBondContact O-CA 3.48Å; L136-G139 PolarHBondContact O-N 3.13Å; E137-G139 PolarHBondContact O-N 3.05Å; G139-P161 WeakPolarHBondContact O-CD 3.45Å; G139-P161 WeakPolarHBondContact O-CG 3.39Å; G139-V164 WeakPolarHBondContact O-CG2 3.43Å
140	L	92.8	Very high	82.8	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.244	C	C	.	.			trans	-79.7	150.6	172.1	-69.5	173.9	0	0	0	110.9	L135 I158 A160 V250 I253	L135-L140 HydrophobicContact CB-CD1 4.48Å; L135-L140 HydrophobicContact CD2-CD1 3.83Å; L135-L140 PolarHBondContact O-N 3.41Å; L135-L140 VanDerWaalsContact O-N 3.08Å; L140-I158 HydrophobicContact CB-CG2 4.29Å; L140-I158 HydrophobicContact CD1-CG2 4.06Å; L140-I158 HydrophobicContact CD2-CG2 4.22Å; L140-I158 HydrophobicContact CG-CG2 4.44Å; L140-A160 HydrophobicContact CD2-CB 3.9Å; L140-V250 HydrophobicContact CD2-CG2 4.3Å; L140-I253 HydrophobicContact CD1-CB 4.28Å; L140-I253 HydrophobicContact CD1-CD1 4.3Å; L140-I253 HydrophobicContact CD1-CG2 3.72Å; L140-I253 HydrophobicContact CD2-CD1 3.84Å; L140-I253 HydrophobicContact CG-CD1 4.21Å; L140-I253 HydrophobicContact CG-CG2 4.35Å
141	E	92.4	Very high	81.6	Confident	59 Å²	59	55.1 Å²	55.1	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.1	175.2	-65	178.9	-153	0	0	110.1	R60 I158 H159	R60-E141 WeakPolarHBondContact CD-OE2 3.42Å; R60-E141 IonicContact CZ-OE2 3.7Å; R60-E141 IonicContact NE-OE2 3.9Å; R60-E141 IonicContact NH1-OE2 2.65Å; R60-E141 PolarHBondContact NH1-OE2 2.91Å; E141-I158 WeakPolarHBondContact O-CA 3.5Å; E141-H159 HydrophobicContact CB-CB 4.27Å; E141-H159 PolarHBondContact N-O 3.4Å; E141-H159 PolarHBondContact O-N 3.18Å; E141-H159 IonicContact OE2-CD2 2.68Å
142	L	92	Very high	80.7	Confident	37 Å²	37	56.5 Å²	56.5	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.6	-174.2	-55.2	179.1	0	0	0	111.1	E132 L135 L136 V156 K157 I158	E132-L142 HydrophobicContact CB-CD1 3.77Å; E132-L142 HydrophobicContact CG-CD1 4.07Å; L135-L142 HydrophobicContact CB-CD1 4.26Å; L135-L142 HydrophobicContact CD1-CD2 4.47Å; L136-L142 HydrophobicContact CD1-CD1 4.47Å; L136-L142 HydrophobicContact CD2-CB 4.27Å; L136-L142 HydrophobicContact CD2-CD1 4.09Å; L136-L142 HydrophobicContact CD2-CG 3.98Å; L136-L142 HydrophobicContact CG-CD1 3.91Å; L136-L142 HydrophobicContact CG-CG 4.34Å; L142-V156 HydrophobicContact CB-CG1 4.23Å; L142-V156 HydrophobicContact CD2-CG1 4.25Å; L142-K157 WeakPolarHBondContact CA-O 3.47Å; L142-I158 HydrophobicContact CD2-CB 4.3Å; L142-I158 HydrophobicContact CD2-CD1 4.2Å; L142-I158 HydrophobicContact CD2-CG1 3.73Å; L142-I158 HydrophobicContact CD2-CG2 4.16Å
143	E	89.3	Confident	80.3	Confident	28 Å²	28	56.5 Å²	56.5	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.3	168.1	-172.9	-165.5	112.3	0	0	108.9	F55 R56 V156 K157	F55-E143 WeakPolarHBondContact CA-OE2 3.41Å; F55-E143 WeakPolarHBondContact CB-OE2 3.44Å; F55-E143 HydrophobicContact CD2-CB 3.74Å; F55-E143 HydrophobicContact CD2-CG 4.46Å; F55-E143 WeakPolarHBondContact CD2-OE2 3.32Å; F55-E143 HydrophobicContact CE2-CB 3.55Å; F55-E143 HydrophobicContact CG-CB 4.43Å; F55-E143 HydrophobicContact CZ-CB 4.09Å; R56-E143 WeakPolarHBondContact CG-OE1 3.45Å; R56-E143 PolarHBondContact N-OE2 3.23Å; R56-E143 IonicContact NE-OE1 2.73Å; E143-V156 WeakPolarHBondContact O-CA 3.44Å; E143-K157 HydrophobicContact CB-CB 4.27Å; E143-K157 HydrophobicContact CB-CD 4.44Å; E143-K157 PolarHBondContact N-O 2.8Å; E143-K157 PolarHBondContact O-N 2.71Å; E143-K157 WeakPolarHBondContact OE1-CD 3.33Å; E143-K157 WeakPolarHBondContact OE1-CE 3.46Å; E143-K157 IonicContact OE1-NZ 3.96Å; E143-K157 PolarHBondContact OE1-NZ 3.24Å
144	R	85.5	Confident	80	Confident	114 Å²	114	55.2 Å²	55.2	43%	0.43	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.5	175.9	-65.2	-173.9	-178.5	162.6	1.9	110.4	E132 V156	E132-R144 IonicContact OE2-CZ 2.79Å; E132-R144 IonicContact OE2-NE 3.11Å; E132-R144 PolarHBondContact OE2-NE 3.34Å; E132-R144 IonicContact OE2-NH2 2.61Å; E132-R144 PolarHBondContact OE2-NH2 2.96Å; R144-V156 HydrophobicContact CG-CG1 4.45Å; R144-V156 HydrophobicContact CG-CG2 4.36Å
145	D	80.3	Confident	80	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	103.8	173.7	-132.5	-29	0	0	0	109.1	R56 T148 F155 K157 Y713	R56-D145 IonicContact CZ-OD1 3.61Å; R56-D145 IonicContact NE-OD2 2.75Å; R56-D145 IonicContact NH2-OD1 3.54Å; R56-D145 PolarHBondContact NH2-OD1 3.08Å; R56-D145 IonicContact NH2-OD2 2.71Å; D145-T148 HydrophobicContact CB-CG2 4.24Å; D145-F155 PolarHBondContact N-O 2.7Å; D145-F155 PolarHBondContact O-N 2.75Å; D145-K157 WeakPolarHBondContact OD2-CE 3.3Å; D145-K157 IonicContact OD2-NZ 3.56Å; D145-K157 PolarHBondContact OD2-NZ 2.89Å; D145-Y713 PolarHBondContact OD2-OH 2.97Å
146	E	70.8	Confident	80	Confident	88 Å²	88	54.1 Å²	54.1	41%	0.411	27%	0.274	S	S	.	.			trans	-103.9	-16.5	-179.9	-62.3	-165.7	146.2	0	0	112.8	Y68 T148	Y68-E146 WeakPolarHBondContact OH-CG 3.49Å; Y68-E146 PolarHBondContact OH-OE1 3.01Å; E146-T148 PolarHBondContact O-N 3.29Å; E146-T148 VanDerWaalsContact O-N 3.16Å
147	D	60.7	Low	80	Confident	120 Å²	120	49.6 Å²	49.6	64%	0.642	25%	0.251	S	S	*	.			trans	-86.7	44.5	177.3	-70.4	-57.4	0	0	0	112.3	R72	R72-D147 IonicContact CZ-OD1 2.72Å; R72-D147 IonicContact NH1-OD1 3.35Å; R72-D147 IonicContact NH2-OD1 3.48Å; R72-D147 PolarHBondContact NH2-OD1 3.37Å
148	T	61.6	Low	80.2	Confident	18 Å²	18	42.1 Å²	42.1	11%	0.11	22%	0.216	C	C	.	.			trans	-89.2	159.6	-178.3	73.3	0	0	0	0	113	D145 E146 I150 V153 F155 Y713	D145-T148 HydrophobicContact CB-CG2 4.24Å; E146-T148 PolarHBondContact O-N 3.29Å; E146-T148 VanDerWaalsContact O-N 3.16Å; T148-I150 PolarHBondContact O-N 3.46Å; T148-I150 VanDerWaalsContact O-N 3.11Å; T148-V153 PolarHBondContact OG1-O 2.87Å; T148-F155 HydrophobicContact CG2-CD2 3.53Å; T148-F155 HydrophobicContact CG2-CE2 4.02Å; T148-F155 HydrophobicContact CG2-CG 4.47Å; T148-Y713 HydrophobicContact CG2-CE2 4.4Å
149	K	61.6	Low	80.5	Confident	114 Å²	114	42.2 Å²	42.2	50%	0.496	21%	0.213	S	C	.	.	S	Bend	trans	-71.4	-5.5	-176.4	-61.1	-168.2	173	-158.8	0	113.4	K708 E714	K149-K708 PolarHBondContact NZ-O 2.79Å; K149-E714 WeakPolarHBondContact CB-OE1 3.37Å; K149-E714 PolarHBondContact N-OE1 2.94Å
150	I	60.1	Low	80.6	Confident	39 Å²	39	40.9 Å²	40.9	20%	0.2	20%	0.199	C	C	.	.	S	Bend	trans	-101.9	99.5	179.3	-48.9	-177.6	0	0	0	108.4	T148 G152 V153 F155 Y717	T148-I150 PolarHBondContact O-N 3.46Å; T148-I150 VanDerWaalsContact O-N 3.11Å; I150-G152 PolarHBondContact O-N 3.36Å; I150-V153 HydrophobicContact CB-CB 4.24Å; I150-V153 HydrophobicContact CB-CG2 4.14Å; I150-V153 HydrophobicContact CG2-CB 4.21Å; I150-V153 HydrophobicContact CG2-CG2 3.56Å; I150-V153 WeakPolarHBondContact O-CB 3.39Å; I150-V153 PolarHBondContact O-N 3.07Å; I150-V153 VanDerWaalsContact O-N 3.14Å; I150-F155 HydrophobicContact CD1-CZ 4.31Å; I150-Y717 HydrophobicContact CD1-CD1 3.79Å; I150-Y717 HydrophobicContact CD1-CE1 4.43Å
151	H	60.6	Low	80.6	Confident	174 Å²	174	41.6 Å²	41.6	81%	0.806	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	127	-177.1	-63.3	-60.7	0	0	0	112.9
152	G	69.4	Low	80.4	Confident	29 Å²	29	41.9 Å²	41.9	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	22.4	177.3	0	0	0	0	0	115.1	H69 H70 I150	H69-G152 WeakPolarHBondContact CA-O 3.5Å; H69-G152 PolarHBondContact ND1-O 3.12Å; H70-G152 PolarHBondContact N-O 2.93Å; H70-G152 CarbonylContact O-C 3.56Å; H70-G152 WeakPolarHBondContact O-CA 3.43Å; I150-G152 PolarHBondContact O-N 3.36Å
153	V	82.1	Confident	80.3	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	173.8	-173.5	0	0	0	0	109.7	V67 Y68 T148 I150 F155	V67-V153 HydrophobicContact CG1-CG1 3.34Å; Y68-V153 WeakPolarHBondContact O-CA 3.44Å; T148-V153 PolarHBondContact OG1-O 2.87Å; I150-V153 HydrophobicContact CB-CB 4.24Å; I150-V153 HydrophobicContact CB-CG2 4.14Å; I150-V153 HydrophobicContact CG2-CB 4.21Å; I150-V153 HydrophobicContact CG2-CG2 3.56Å; I150-V153 WeakPolarHBondContact O-CB 3.39Å; I150-V153 PolarHBondContact O-N 3.07Å; I150-V153 VanDerWaalsContact O-N 3.14Å; V153-F155 HydrophobicContact CB-CE2 4.18Å; V153-F155 HydrophobicContact CG1-CD2 4.06Å; V153-F155 HydrophobicContact CG1-CE2 3.51Å; V153-F155 HydrophobicContact CG1-CZ 3.87Å
154	G	84.4	Confident	80.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.2	168.8	0	0	0	0	0	110.7	Y68 H70	Y68-G154 WeakPolarHBondContact CD1-O 3.28Å; Y68-G154 PolarHBondContact N-O 2.6Å; Y68-G154 PolarHBondContact O-N 2.74Å; H70-G154 PolarHBondContact ND1-N 3.22Å
155	F	88.8	Confident	80.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139.4	178	-68	-100.4	0	0	0	109.8	I65 L66 V67 D145 T148 I150 V153 Y713 Y717	I65-F155 HydrophobicContact CG2-CD1 3.96Å; L66-F155 WeakPolarHBondContact O-CA 3.42Å; V67-F155 HydrophobicContact CG1-CD1 4.39Å; V67-F155 HydrophobicContact CG1-CE1 4.15Å; V67-F155 HydrophobicContact CG1-CZ 4.38Å; V67-F155 HydrophobicContact CG2-CD1 3.73Å; V67-F155 HydrophobicContact CG2-CE1 3.74Å; D145-F155 PolarHBondContact N-O 2.7Å; D145-F155 PolarHBondContact O-N 2.75Å; T148-F155 HydrophobicContact CG2-CD2 3.53Å; T148-F155 HydrophobicContact CG2-CE2 4.02Å; T148-F155 HydrophobicContact CG2-CG 4.47Å; I150-F155 HydrophobicContact CD1-CZ 4.31Å; V153-F155 HydrophobicContact CB-CE2 4.18Å; V153-F155 HydrophobicContact CG1-CD2 4.06Å; V153-F155 HydrophobicContact CG1-CE2 3.51Å; V153-F155 HydrophobicContact CG1-CZ 3.87Å; F155-Y713 HydrophobicContact CB-CD2 4.39Å; F155-Y713 AromaticContact CD1-CD2 3.81Å; F155-Y713 HydrophobicContact CD1-CD2 3.81Å; F155-Y713 HydrophobicContact CD1-CG 4.5Å; F155-Y713 HydrophobicContact CD2-CD2 4.44Å; F155-Y713 HydrophobicContact CE1-CD2 4.14Å; F155-Y713 AromaticContact CG-CD2 3.97Å; F155-Y713 HydrophobicContact CG-CD2 3.97Å; F155-Y713 HydrophobicContact CG-CE2 4.35Å; F155-Y717 HydrophobicContact CE1-CD2 4.49Å; F155-Y717 HydrophobicContact CE1-CG 4.2Å; F155-Y717 HydrophobicContact CZ-CD1 4.25Å; F155-Y717 HydrophobicContact CZ-CG 4.15Å
156	V	90.9	Very high	81	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.8	171.2	-166.8	0	0	0	0	108.4	I65 L66 Y68 L142 E143 R144	I65-V156 WeakPolarHBondContact CA-O 3.33Å; L66-V156 HydrophobicContact CB-CB 4.21Å; L66-V156 PolarHBondContact N-O 3.2Å; L66-V156 PolarHBondContact O-N 3.45Å; Y68-V156 HydrophobicContact CD1-CG2 4.15Å; Y68-V156 HydrophobicContact CE1-CG2 3.67Å; L142-V156 HydrophobicContact CB-CG1 4.23Å; L142-V156 HydrophobicContact CD2-CG1 4.25Å; E143-V156 WeakPolarHBondContact O-CA 3.44Å; R144-V156 HydrophobicContact CG-CG1 4.45Å; R144-V156 HydrophobicContact CG-CG2 4.36Å
157	K	91.7	Very high	81.9	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.4	174.2	-54.5	167.9	-163.5	166.6	0	108.4	F55 V62 I65 L142 E143 D145 Y713	F55-K157 HydrophobicContact CD1-CB 4.44Å; F55-K157 HydrophobicContact CE1-CB 3.86Å; F55-K157 HydrophobicContact CZ-CB 4.18Å; V62-K157 HydrophobicContact CG1-CB 4.1Å; V62-K157 HydrophobicContact CG2-CB 4.15Å; V62-K157 HydrophobicContact CG2-CD 4.3Å; V62-K157 HydrophobicContact CG2-CG 4.36Å; I65-K157 HydrophobicContact CD1-CB 4.32Å; I65-K157 HydrophobicContact CD1-CG 3.89Å; L142-K157 WeakPolarHBondContact CA-O 3.47Å; E143-K157 HydrophobicContact CB-CB 4.27Å; E143-K157 HydrophobicContact CB-CD 4.44Å; E143-K157 PolarHBondContact N-O 2.8Å; E143-K157 PolarHBondContact O-N 2.71Å; E143-K157 WeakPolarHBondContact OE1-CD 3.33Å; E143-K157 WeakPolarHBondContact OE1-CE 3.46Å; E143-K157 IonicContact OE1-NZ 3.96Å; E143-K157 PolarHBondContact OE1-NZ 3.24Å; D145-K157 WeakPolarHBondContact OD2-CE 3.3Å; D145-K157 IonicContact OD2-NZ 3.56Å; D145-K157 PolarHBondContact OD2-NZ 2.89Å; K157-Y713 PolarHBondContact NZ-OH 3.01Å
158	I	93.2	Very high	83.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.6	179.2	-51.1	-171.4	0	0	0	109.2	D63 Y64 L66 L140 E141 L142 V250 L254	D63-I158 PolarHBondContact N-O 3.01Å; Y64-I158 PolarHBondContact N-O 3.34Å; Y64-I158 PolarHBondContact O-N 2.88Å; L66-I158 HydrophobicContact CD1-CD1 3.98Å; L66-I158 HydrophobicContact CG-CD1 3.89Å; L140-I158 HydrophobicContact CB-CG2 4.29Å; L140-I158 HydrophobicContact CD1-CG2 4.06Å; L140-I158 HydrophobicContact CD2-CG2 4.22Å; L140-I158 HydrophobicContact CG-CG2 4.44Å; E141-I158 WeakPolarHBondContact O-CA 3.5Å; L142-I158 HydrophobicContact CD2-CB 4.3Å; L142-I158 HydrophobicContact CD2-CD1 4.2Å; L142-I158 HydrophobicContact CD2-CG1 3.73Å; L142-I158 HydrophobicContact CD2-CG2 4.16Å; I158-V250 HydrophobicContact CG2-CG1 3.83Å; I158-L254 HydrophobicContact CD1-CD1 4.32Å; I158-L254 HydrophobicContact CD1-CD2 4.02Å
159	H	92.8	Very high	84.3	Confident	21 Å²	21	32.5 Å²	32.5	10%	0.097	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.4	169.9	176.5	70.9	0	0	0	110.3	F55 K61 D63 E141 R246	F55-H159 HydrophobicContact CD1-CB 4.43Å; F55-H159 HydrophobicContact CE1-CB 3.6Å; F55-H159 HydrophobicContact CE2-CB 4.38Å; F55-H159 HydrophobicContact CZ-CB 3.58Å; K61-H159 PolarHBondContact O-ND1 3.23Å; D63-H159 IonicContact OD2-ND1 2.74Å; E141-H159 HydrophobicContact CB-CB 4.27Å; E141-H159 PolarHBondContact N-O 3.4Å; E141-H159 PolarHBondContact O-N 3.18Å; E141-H159 IonicContact OE2-CD2 2.68Å; H159-R246 PolarHBondContact CE1-NH2 3.39Å; H159-R246 VanDerWaalsContact CE1-NH2 3.26Å
160	A	92.2	Very high	85.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.			trans	-101	114.1	170.8	0	0	0	0	0	110.9	D63 L140 L165 R246 V250	D63-A160 PolarHBondContact OD2-N 2.91Å; L140-A160 HydrophobicContact CD2-CB 3.9Å; A160-L165 HydrophobicContact CB-CD1 4.48Å; A160-L165 HydrophobicContact CB-CD2 3.68Å; A160-L165 HydrophobicContact CB-CG 3.89Å; A160-R246 PolarHBondContact O-NH2 2.68Å; A160-V250 HydrophobicContact CB-CG2 3.69Å
161	P	92.3	Very high	86.5	Confident	19 Å²	19	33.5 Å²	33.5	12%	0.123	16%	0.161	C	C	.	.			trans	-70.1	156.4	174.8	28	-33.3	0	0	0	111.8	G139 N163 V164 L165	G139-P161 WeakPolarHBondContact O-CD 3.45Å; G139-P161 WeakPolarHBondContact O-CG 3.39Å; P161-N163 VanDerWaalsContact C-N 3.29Å; P161-N163 WeakPolarHBondContact CB-OD1 3.3Å; P161-N163 WeakPolarHBondContact CG-OD1 3.38Å; P161-N163 PolarHBondContact O-N 3.2Å; P161-V164 HydrophobicContact CG-CB 4.32Å; P161-V164 HydrophobicContact CG-CG2 4.04Å; P161-V164 PolarHBondContact O-N 3.34Å; P161-L165 PolarHBondContact O-N 2.93Å
162	W	88.6	Confident	87.3	Confident	65 Å²	65	26 Å²	26	25%	0.246	13%	0.127	C	C	.	.	H	α-helix	trans	-55.4	-37.6	-171.9	175.9	-95.3	0	0	0	114.5	L165 C166 L234 K237 F240 F241	W162-L165 PolarHBondContact O-N 3.44Å; W162-C166 PolarHBondContact NE1-SG 3.43Å; W162-C166 VanDerWaalsContact NE1-SG 3.39Å; W162-C166 WeakPolarHBondContact O-CB 3.29Å; W162-C166 PolarHBondContact O-N 2.86Å; W162-C166 PolarHBondContact O-SG 2.9Å; W162-L234 HydrophobicContact CH2-CD2 3.85Å; W162-L234 HydrophobicContact CZ2-CD2 3.82Å; W162-K237 HydrophobicContact CD2-CB 4.46Å; W162-K237 HydrophobicContact CE3-CB 4.02Å; W162-K237 HydrophobicContact CH2-CB 4.36Å; W162-K237 HydrophobicContact CH2-CG 4.34Å; W162-K237 HydrophobicContact CZ2-CG 4.38Å; W162-K237 HydrophobicContact CZ3-CB 3.96Å; W162-K237 HydrophobicContact CZ3-CG 4.41Å; W162-K237 WeakPolarHBondContact CZ3-O 3.21Å; W162-F240 HydrophobicContact CH2-CB 4.07Å; W162-F240 AromaticContact CH2-CD1 3.67Å; W162-F240 HydrophobicContact CH2-CD1 3.67Å; W162-F240 HydrophobicContact CH2-CE1 4.42Å; W162-F240 HydrophobicContact CH2-CG 4.07Å; W162-F240 HydrophobicContact CZ3-CB 4.17Å; W162-F240 HydrophobicContact CZ3-CD1 4.15Å; W162-F241 HydrophobicContact CD2-CE2 4.46Å; W162-F241 AromaticContact CE3-CD2 3.86Å; W162-F241 HydrophobicContact CE3-CD2 3.86Å; W162-F241 AromaticContact CE3-CE2 3.83Å; W162-F241 HydrophobicContact CE3-CE2 3.83Å; W162-F241 HydrophobicContact CH2-CD2 4.01Å; W162-F241 AromaticContact CH2-CE2 3.66Å; W162-F241 HydrophobicContact CH2-CE2 3.66Å; W162-F241 HydrophobicContact CZ2-CE2 4.31Å; W162-F241 AromaticContact CZ3-CD2 3.35Å; W162-F241 HydrophobicContact CZ3-CD2 3.35Å; W162-F241 AromaticContact CZ3-CE2 3.39Å; W162-F241 HydrophobicContact CZ3-CE2 3.39Å
163	N	89.4	Confident	87.9	Confident	107 Å²	107	29.5 Å²	29.5	57%	0.572	13%	0.134	S	C	*	.	H	α-helix	trans	-63.3	-40.4	177.3	59.3	-16.4	0	0	0	112.6	P161 R167	P161-N163 VanDerWaalsContact C-N 3.29Å; P161-N163 WeakPolarHBondContact CB-OD1 3.3Å; P161-N163 WeakPolarHBondContact CG-OD1 3.38Å; P161-N163 PolarHBondContact O-N 3.2Å; N163-R167 WeakPolarHBondContact O-CB 3.3Å; N163-R167 PolarHBondContact O-N 3.39Å
164	V	91.1	Very high	87.7	Confident	4 Å²	4	30 Å²	30	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-70.8	-44.5	175.7	173.4	0	0	0	0	110.5	G139 P161 C166 R167 E168 I253	G139-V164 WeakPolarHBondContact O-CG2 3.43Å; P161-V164 HydrophobicContact CG-CB 4.32Å; P161-V164 HydrophobicContact CG-CG2 4.04Å; P161-V164 PolarHBondContact O-N 3.34Å; V164-C166 VanDerWaalsContact C-N 3.3Å; V164-C166 PolarHBondContact O-N 3.18Å; V164-R167 PolarHBondContact O-N 2.98Å; V164-R167 VanDerWaalsContact O-N 3.13Å; V164-E168 HydrophobicContact CG1-CG 4.13Å; V164-E168 WeakPolarHBondContact O-CG 3.32Å; V164-E168 PolarHBondContact O-N 2.89Å; V164-I253 HydrophobicContact CG1-CD1 3.75Å
165	L	90.1	Very high	87.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.4	-45.6	174.6	-69.2	172.7	0	0	0	111.7	A160 P161 W162 A169 F241 R246 I249	A160-L165 HydrophobicContact CB-CD1 4.48Å; A160-L165 HydrophobicContact CB-CD2 3.68Å; A160-L165 HydrophobicContact CB-CG 3.89Å; P161-L165 PolarHBondContact O-N 2.93Å; W162-L165 PolarHBondContact O-N 3.44Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.18Å; L165-F241 HydrophobicContact CB-CD2 4.04Å; L165-F241 HydrophobicContact CB-CE2 3.76Å; L165-F241 HydrophobicContact CB-CZ 4.13Å; L165-F241 HydrophobicContact CD1-CD2 4.02Å; L165-R246 HydrophobicContact CD1-CG 4.23Å; L165-R246 HydrophobicContact CD2-CB 4.43Å; L165-R246 HydrophobicContact CD2-CG 4.27Å; L165-I249 HydrophobicContact CD2-CB 4.2Å; L165-I249 HydrophobicContact CD2-CD1 3.81Å; L165-I249 HydrophobicContact CD2-CG2 3.98Å
166	C	89.1	Confident	87.2	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-42.4	175.7	-71.2	0	0	0	0	113.2	W162 V164 E170 F224 R226	W162-C166 PolarHBondContact NE1-SG 3.43Å; W162-C166 VanDerWaalsContact NE1-SG 3.39Å; W162-C166 WeakPolarHBondContact O-CB 3.29Å; W162-C166 PolarHBondContact O-N 2.86Å; W162-C166 PolarHBondContact O-SG 2.9Å; V164-C166 VanDerWaalsContact C-N 3.3Å; V164-C166 PolarHBondContact O-N 3.18Å; C166-E170 PolarHBondContact O-N 2.99Å; C166-F224 HydrophobicContact CB-CE1 3.81Å; C166-F224 HydrophobicContact CB-CZ 4.18Å; C166-F224 WeakPolarHBondContact O-CE1 3.46Å; C166-R226 HydrophobicContact CB-CG 4.21Å
167	R	89.1	Confident	86.7	Confident	94 Å²	94	35.8 Å²	35.8	36%	0.355	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-46.7	179.2	-175.2	-173.3	73.4	-154.8	-3	111.5	A138 N163 V164 F171	A138-R167 PolarHBondContact O-NH1 3.4Å; A138-R167 PolarHBondContact O-NH2 3.46Å; N163-R167 WeakPolarHBondContact O-CB 3.3Å; N163-R167 PolarHBondContact O-N 3.39Å; V164-R167 PolarHBondContact O-N 2.98Å; V164-R167 VanDerWaalsContact O-N 3.13Å; R167-F171 PolarHBondContact O-N 3.06Å; R167-F171 VanDerWaalsContact O-N 3.13Å
168	E	87.8	Confident	86.1	Confident	6 Å²	6	35.8 Å²	35.8	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-78.2	-31.6	-177.9	-58.2	-52.4	151.7	0	0	112.7	V164 E170 F171 L172 I249 I253 R256	V164-E168 HydrophobicContact CG1-CG 4.13Å; V164-E168 WeakPolarHBondContact O-CG 3.32Å; V164-E168 PolarHBondContact O-N 2.89Å; E168-E170 VanDerWaalsContact C-N 3.29Å; E168-E170 PolarHBondContact O-N 3.49Å; E168-F171 PolarHBondContact O-N 3.21Å; E168-L172 VanDerWaalsContact O-CB 3.29Å; E168-L172 WeakPolarHBondContact O-CB 3.38Å; E168-L172 VanDerWaalsContact O-CG 3.29Å; E168-L172 WeakPolarHBondContact O-CG 3.25Å; E168-L172 PolarHBondContact O-N 3.23Å; E168-I249 HydrophobicContact CB-CG2 3.56Å; E168-I249 HydrophobicContact CG-CG2 4.05Å; E168-I253 HydrophobicContact CG-CD1 3.9Å; E168-I253 HydrophobicContact CG-CG1 3.9Å; E168-R256 IonicContact OE1-CZ 3.89Å; E168-R256 IonicContact OE1-NH1 3.24Å; E168-R256 IonicContact OE1-NH2 3.21Å; E168-R256 PolarHBondContact OE1-NH2 2.96Å; E168-R256 IonicContact OE2-CZ 2.7Å; E168-R256 VanDerWaalsContact OE2-CZ 3.24Å; E168-R256 IonicContact OE2-NH1 3.23Å; E168-R256 PolarHBondContact OE2-NH1 3.08Å; E168-R256 IonicContact OE2-NH2 3.65Å; E168-R256 PolarHBondContact OE2-NH2 3.18Å
169	A	86.2	Confident	85.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-37.2	173.3	0	0	0	0	0	112.2	L165 K173 L174 F224 F241 I249	L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.18Å; A169-K173 PolarHBondContact O-N 3.05Å; A169-K173 VanDerWaalsContact O-N 3.11Å; A169-L174 HydrophobicContact CB-CB 4.42Å; A169-L174 HydrophobicContact CB-CD1 4.03Å; A169-L174 HydrophobicContact CB-CG 4.44Å; A169-L174 PolarHBondContact O-N 2.78Å; A169-F224 HydrophobicContact CB-CB 4.29Å; A169-F224 HydrophobicContact CB-CD1 3.84Å; A169-F224 HydrophobicContact CB-CG 4.22Å; A169-F241 HydrophobicContact CB-CE1 3.83Å; A169-F241 HydrophobicContact CB-CZ 4.1Å; A169-I249 HydrophobicContact CB-CD1 4.38Å
170	E	85.3	Confident	84.3	Confident	57 Å²	57	45.8 Å²	45.8	27%	0.266	21%	0.211	S	C	.	.	H	α-helix	trans	-68.9	-45.8	172.5	178.8	167.1	-119.2	0	0	111.8	C166 E168 L172 K173 F224 S225 R226	C166-E170 PolarHBondContact O-N 2.99Å; E168-E170 VanDerWaalsContact C-N 3.29Å; E168-E170 PolarHBondContact O-N 3.49Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 3Å; E170-K173 PolarHBondContact O-N 3.06Å; E170-K173 VanDerWaalsContact O-N 3.07Å; E170-F224 WeakPolarHBondContact CA-O 3.37Å; E170-F224 HydrophobicContact CB-CD1 4.35Å; E170-S225 WeakPolarHBondContact OE1-CA 3.45Å; E170-S225 WeakPolarHBondContact OE1-CB 3.48Å; E170-S225 PolarHBondContact OE1-OG 2.92Å; E170-R226 PolarHBondContact OE1-N 3.45Å; E170-R226 WeakPolarHBondContact OE2-CB 3.41Å; E170-R226 VanDerWaalsContact OE2-CD 3.22Å; E170-R226 WeakPolarHBondContact OE2-CD 3.33Å; E170-R226 VanDerWaalsContact OE2-CG 3.29Å; E170-R226 WeakPolarHBondContact OE2-CG 3.41Å
171	F	82.1	Confident	83.3	Confident	118 Å²	118	50.3 Å²	50.3	52%	0.518	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-40.1	175.9	-177.1	-95.9	0	0	0	113	R167 E168 K173	R167-F171 PolarHBondContact O-N 3.06Å; R167-F171 VanDerWaalsContact O-N 3.13Å; E168-F171 PolarHBondContact O-N 3.21Å; F171-K173 VanDerWaalsContact C-N 3.3Å
172	L	77.6	Confident	82.1	Confident	15 Å²	15	50.4 Å²	50.4	8%	0.079	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.9	177.9	-65.3	173.1	0	0	0	113.7	E168 E170 L174 I249 E252 R779	E168-L172 VanDerWaalsContact O-CB 3.29Å; E168-L172 WeakPolarHBondContact O-CB 3.38Å; E168-L172 VanDerWaalsContact O-CG 3.29Å; E168-L172 WeakPolarHBondContact O-CG 3.25Å; E168-L172 PolarHBondContact O-N 3.23Å; E170-L172 VanDerWaalsContact C-N 3.32Å; E170-L172 PolarHBondContact O-N 3Å; L172-L174 HydrophobicContact CB-CD2 3.97Å; L172-L174 HydrophobicContact CB-CG 3.93Å; L172-L174 PolarHBondContact O-N 3.39Å; L172-I249 HydrophobicContact CD1-CG1 4.33Å; L172-E252 HydrophobicContact CD1-CB 4.24Å; L172-E252 HydrophobicContact CD1-CG 4.28Å; L172-E252 HydrophobicContact CD2-CB 4.49Å; L172-E252 HydrophobicContact CD2-CG 4.4Å; L172-R779 PolarHBondContact O-NH2 3.08Å; L172-R779 VanDerWaalsContact O-NH2 3.12Å
173	K	80.8	Confident	80.8	Confident	104 Å²	104	52.8 Å²	52.8	45%	0.452	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	37.8	-176.3	-63.9	-178.6	177	179.9	0	113.8	A169 E170 F171 K175 P223 E446	A169-K173 PolarHBondContact O-N 3.05Å; A169-K173 VanDerWaalsContact O-N 3.11Å; E170-K173 PolarHBondContact O-N 3.06Å; E170-K173 VanDerWaalsContact O-N 3.07Å; F171-K173 VanDerWaalsContact C-N 3.3Å; K173-K175 PolarHBondContact O-N 3.41Å; K173-K175 VanDerWaalsContact O-N 3.15Å; K173-P223 HydrophobicContact CB-CB 4.14Å; K173-E446 HydrophobicContact CB-CG 4.37Å; K173-E446 HydrophobicContact CD-CG 4.22Å
174	L	79	Confident	79.5	Confident	14 Å²	14	50.6 Å²	50.6	7%	0.073	23%	0.232	C	C	.	.			trans	-62.2	120.3	-176.1	-60.5	-177.6	0	0	0	110.3	A169 L172 M176 F224 T245 I249	A169-L174 HydrophobicContact CB-CB 4.42Å; A169-L174 HydrophobicContact CB-CD1 4.03Å; A169-L174 HydrophobicContact CB-CG 4.44Å; A169-L174 PolarHBondContact O-N 2.78Å; L172-L174 HydrophobicContact CB-CD2 3.97Å; L172-L174 HydrophobicContact CB-CG 3.93Å; L172-L174 PolarHBondContact O-N 3.39Å; L174-M176 HydrophobicContact CB-CE 3.86Å; L174-M176 HydrophobicContact CD1-CE 4.21Å; L174-M176 PolarHBondContact O-N 3.32Å; L174-F224 WeakPolarHBondContact O-CB 3.46Å; L174-F224 PolarHBondContact O-N 3.49Å; L174-T245 HydrophobicContact CD1-CG2 3.85Å; L174-I249 HydrophobicContact CD1-CD1 3.84Å; L174-I249 HydrophobicContact CD1-CG1 3.89Å
175	K	80.4	Confident	77.7	Confident	58 Å²	58	56.4 Å²	56.4	25%	0.252	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	126.6	176.5	-63.6	-177	-170.6	171	0	110.5	K173 Y222 D439 T441	K173-K175 PolarHBondContact O-N 3.41Å; K173-K175 VanDerWaalsContact O-N 3.15Å; K175-Y222 WeakPolarHBondContact CA-O 3.35Å; K175-D439 HydrophobicContact CD-CB 4.06Å; K175-D439 WeakPolarHBondContact CD-O 3.45Å; K175-D439 WeakPolarHBondContact CE-O 3.36Å; K175-D439 PolarHBondContact NZ-O 3.01Å; K175-T441 PolarHBondContact NZ-O 3.16Å
176	M	81.4	Confident	75.9	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.064	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151	-178.1	-68.1	-64.1	171.6	0	0	110.6	L174 T178 S221 Y222 F224 F232 F240 F241 T245	L174-M176 HydrophobicContact CB-CE 3.86Å; L174-M176 HydrophobicContact CD1-CE 4.21Å; L174-M176 PolarHBondContact O-N 3.32Å; M176-T178 PolarHBondContact O-N 2.79Å; M176-S221 VanDerWaalsContact O-CA 3.31Å; M176-S221 WeakPolarHBondContact O-CA 3.4Å; M176-Y222 PolarHBondContact N-O 2.82Å; M176-Y222 PolarHBondContact O-N 2.83Å; M176-F224 HydrophobicContact CB-CD2 4.35Å; M176-F224 HydrophobicContact CG-CB 3.93Å; M176-F224 HydrophobicContact CG-CD2 4.04Å; M176-F224 HydrophobicContact CG-CG 4.36Å; M176-F232 HydrophobicContact CB-CD1 3.71Å; M176-F232 HydrophobicContact CB-CE1 3.66Å; M176-F240 HydrophobicContact CB-CZ 3.83Å; M176-F240 HydrophobicContact CG-CE1 4.13Å; M176-F240 HydrophobicContact CG-CZ 3.94Å; M176-F240 HydrophobicContact SD-CE1 4.13Å; M176-F240 HydrophobicContact SD-CZ 4.22Å; M176-F241 HydrophobicContact CE-CD1 3.75Å; M176-F241 HydrophobicContact CE-CE1 3.6Å; M176-T245 HydrophobicContact CE-CG2 3.98Å
177	P	81.6	Confident	74.1	Confident	50 Å²	50	64.9 Å²	64.9	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.8	179.9	28.4	-34	0	0	0	111.6	R219	P177-R219 HydrophobicContact CB-CB 3.88Å; P177-R219 HydrophobicContact CB-CG 4.49Å
178	T	78.4	Confident	72.2	Confident	5 Å²	5	71.9 Å²	71.9	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	167	171.7	68.8	0	0	0	0	111.5	M176 K180 L220 L231 F232	M176-T178 PolarHBondContact O-N 2.79Å; T178-K180 PolarHBondContact O-N 3.37Å; T178-L220 WeakPolarHBondContact CB-O 3.47Å; T178-L220 WeakPolarHBondContact CG2-O 3.01Å; T178-L220 PolarHBondContact N-O 3.34Å; T178-L220 PolarHBondContact OG1-O 3.42Å; T178-L231 CarbonylContact C-O 3.5Å; T178-L231 WeakPolarHBondContact CA-O 3.22Å; T178-L231 VanDerWaalsContact CB-O 3.26Å; T178-L231 WeakPolarHBondContact CB-O 3.43Å; T178-L231 HydrophobicContact CG2-CB 4.32Å; T178-F232 HydrophobicContact CG2-CD1 4.26Å; T178-F232 HydrophobicContact CG2-CE1 4.07Å
179	K	75.7	Confident	71.1	Confident	123 Å²	123	74.2 Å²	74.2	54%	0.535	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-21.4	174.3	-70.5	172.3	176.8	158.3	0	113.6	M181 H230 L231 F232 D233	K179-M181 PolarHBondContact O-N 3.44Å; K179-H230 WeakPolarHBondContact CE-O 3.42Å; K179-H230 PolarHBondContact NZ-O 3.07Å; K179-L231 PolarHBondContact N-O 3.2Å; K179-F232 WeakPolarHBondContact CE-O 3.36Å; K179-D233 HydrophobicContact CG-CB 4.21Å
180	K	72.3	Confident	69.5	Low	107 Å²	107	81 Å²	81	47%	0.465	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.2	-175.5	-72.2	-79.4	-175.6	175.1	0	110.4	T178 L220 L933	T178-K180 PolarHBondContact O-N 3.37Å; K180-L220 PolarHBondContact O-N 2.89Å; K180-L933 HydrophobicContact CB-CD1 3.85Å; K180-L933 HydrophobicContact CD-CD2 3.74Å; K180-L933 HydrophobicContact CG-CD1 3.8Å; K180-L933 HydrophobicContact CG-CD2 3.65Å; K180-L933 HydrophobicContact CG-CG 4.4Å
181	M	70.6	Confident	68.1	Low	95 Å²	95	83.2 Å²	83.2	47%	0.468	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146.9	167.8	-66.7	-178.3	-174.5	0	0	110.3	K179 M217 K218 R219	K179-M181 PolarHBondContact O-N 3.44Å; M181-M217 HydrophobicContact CB-CB 4.33Å; M181-M217 HydrophobicContact SD-CB 4.36Å; M181-M217 HydrophobicContact SD-CE 4.39Å; M181-M217 HydrophobicContact SD-SD 4.32Å; M181-K218 WeakPolarHBondContact CA-O 3.46Å; M181-R219 HydrophobicContact CE-CG 3.87Å; M181-R219 HydrophobicContact CG-CG 3.83Å
182	Y	66.9	Low	67.1	Low	21 Å²	21	82 Å²	82	8%	0.082	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.4	170.4	74.2	-94	0	0	0	110.5	I184 M217 K218 L220 Y436 Q922 E926 L929	Y182-I184 PolarHBondContact O-N 3.34Å; Y182-M217 WeakPolarHBondContact O-CA 3.48Å; Y182-K218 HydrophobicContact CE1-CB 4.1Å; Y182-K218 HydrophobicContact CE1-CD 4.47Å; Y182-K218 PolarHBondContact N-O 3.25Å; Y182-K218 PolarHBondContact O-N 2.96Å; Y182-L220 HydrophobicContact CD1-CB 4.44Å; Y182-L220 HydrophobicContact CE1-CD1 4.34Å; Y182-Y436 PolarHBondContact OH-OH 3.1Å; Y182-Q922 PolarHBondContact OH-NE2 3.46Å; Y182-E926 HydrophobicContact CE1-CG 3.8Å; Y182-E926 WeakPolarHBondContact OH-CG 3.28Å; Y182-E926 PolarHBondContact OH-OE1 3.09Å; Y182-L929 HydrophobicContact CD1-CD1 4.35Å; Y182-L929 HydrophobicContact CD2-CD1 4.35Å; Y182-L929 HydrophobicContact CG-CD1 3.96Å
183	H	62.2	Low	66.6	Low	115 Å²	115	88.8 Å²	88.8	53%	0.532	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.5	177.5	-73.9	-62.7	0	0	0	112.3	N185 T216 M217 K925	H183-N185 PolarHBondContact O-N 3.05Å; H183-T216 WeakPolarHBondContact CA-O 3.38Å; H183-T216 PolarHBondContact ND1-O 2.99Å; H183-M217 WeakPolarHBondContact CE1-CG 3.15Å; H183-M217 WeakPolarHBondContact ND1-CG 3.48Å; H183-K925 PolarHBondContact O-NZ 3.31Å
184	I	61.7	Low	65.9	Low	61 Å²	61	89 Å²	89	31%	0.313	44%	0.436	S	S	.	.			trans	-71.1	118.5	165.8	-52.5	-174.6	0	0	0	106.7	Y182 E186 Q215 T216 K218	Y182-I184 PolarHBondContact O-N 3.34Å; I184-E186 PolarHBondContact O-N 2.85Å; I184-E186 VanDerWaalsContact O-N 3.13Å; I184-Q215 WeakPolarHBondContact CD1-O 3.32Å; I184-T216 PolarHBondContact N-O 3.21Å; I184-K218 HydrophobicContact CD1-CB 4.2Å; I184-K218 HydrophobicContact CG1-CB 4.23Å
185	N	54.3	Low	65.1	Low	126 Å²	126	91 Å²	91	67%	0.674	45%	0.448	S	S	*	.			trans	-64.8	115.8	177.6	-74.9	19.7	0	0	0	109.1	H183 K925	H183-N185 PolarHBondContact O-N 3.05Å; N185-K925 PolarHBondContact OD1-NZ 2.89Å
186	E	52.1	Low	64.2	Low	115 Å²	115	91.1 Å²	91.1	54%	0.537	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-61.7	150.6	174.5	-69.2	180	112.7	0	0	112.1	I184 R188 K192	I184-E186 PolarHBondContact O-N 2.85Å; I184-E186 VanDerWaalsContact O-N 3.13Å; E186-R188 PolarHBondContact O-N 3.13Å; E186-K192 WeakPolarHBondContact OE1-CE 3.34Å; E186-K192 IonicContact OE1-NZ 3.64Å; E186-K192 PolarHBondContact OE1-NZ 2.87Å; E186-K192 IonicContact OE2-NZ 2.7Å; E186-K192 PolarHBondContact OE2-NZ 2.71Å
187	T	51	Low	63.6	Low	66 Å²	66	95.4 Å²	95.4	41%	0.405	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.1	122.9	174.5	51.3	0	0	0	0	111
188	R	49.3	Very low	62.9	Low	240 Å²	240	97.5 Å²	97.5	91%	0.906	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-63.5	139.5	-177.3	-74.4	-176.8	171.2	-175.4	-3.2	113	E186 L190	E186-R188 PolarHBondContact O-N 3.13Å; R188-L190 PolarHBondContact O-N 3.3Å
189	G	63.8	Low	62.1	Low	56 Å²	56	101.6 Å²	101.6	58%	0.577	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-122.5	157.3	0	0	0	0	0	116.1	L191 K192 K193	G189-L191 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 3.07Å; G189-K192 WeakPolarHBondContact O-CB 3.5Å; G189-K192 PolarHBondContact O-N 3.13Å; G189-K193 PolarHBondContact O-N 2.8Å
190	L	53.5	Low	61.9	Low	142 Å²	142	104 Å²	104	74%	0.743	52%	0.519	S	S	*	.	H	α-helix	trans	-55.4	-41.1	-172.2	-91.4	150.3	0	0	0	113.7	R188 K192 K193 I194	R188-L190 PolarHBondContact O-N 3.3Å; L190-K192 VanDerWaalsContact C-N 3.25Å; L190-K192 PolarHBondContact O-N 2.96Å; L190-K193 PolarHBondContact O-N 3.28Å; L190-I194 PolarHBondContact O-N 2.91Å
191	L	55.9	Low	61.9	Low	103 Å²	103	105 Å²	105	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-62.3	-32.1	175.7	-88.7	92.8	0	0	0	112.3	G189 I194 N195	G189-L191 VanDerWaalsContact C-N 3.33Å; G189-L191 PolarHBondContact O-N 3.07Å; L191-I194 PolarHBondContact O-N 3.32Å; L191-N195 WeakPolarHBondContact O-CB 3.49Å; L191-N195 PolarHBondContact O-N 3.5Å; L191-N195 PolarHBondContact O-ND2 3.23Å
192	K	61.6	Low	61.8	Low	92 Å²	92	101.4 Å²	101.4	40%	0.4	51%	0.512	S	S	.	.	H	α-helix	trans	-66.6	-39.2	177.8	-163.8	174.5	179.8	177.6	0	111.7	E186 G189 L190 S196	E186-K192 WeakPolarHBondContact OE1-CE 3.34Å; E186-K192 IonicContact OE1-NZ 3.64Å; E186-K192 PolarHBondContact OE1-NZ 2.87Å; E186-K192 IonicContact OE2-NZ 2.7Å; E186-K192 PolarHBondContact OE2-NZ 2.71Å; G189-K192 WeakPolarHBondContact O-CB 3.5Å; G189-K192 PolarHBondContact O-N 3.13Å; L190-K192 VanDerWaalsContact C-N 3.25Å; L190-K192 PolarHBondContact O-N 2.96Å; K192-S196 WeakPolarHBondContact O-CB 3.36Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.9Å
193	K	66.8	Low	61.7	Low	159 Å²	159	104.8 Å²	104.8	69%	0.691	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-49.9	174	-77.9	-172.5	174.9	-177.4	0	111.2	G189 L190 N195 S196 V197	G189-K193 PolarHBondContact O-N 2.8Å; L190-K193 PolarHBondContact O-N 3.28Å; K193-N195 PolarHBondContact O-N 2.88Å; K193-S196 PolarHBondContact O-N 3.25Å; K193-S196 PolarHBondContact O-OG 3.03Å; K193-V197 WeakPolarHBondContact O-CG2 3.22Å; K193-V197 PolarHBondContact O-N 3.38Å
194	I	65.2	Low	62.1	Low	107 Å²	107	103.9 Å²	103.9	55%	0.549	54%	0.536	S	S	.	.	H	α-helix	trans	-60	-46.8	178.1	-62.1	168.1	0	0	0	110.6	L190 L191 S196 V197 L198	L190-I194 PolarHBondContact O-N 2.91Å; L191-I194 PolarHBondContact O-N 3.32Å; I194-S196 VanDerWaalsContact C-N 3.34Å; I194-S196 PolarHBondContact O-N 2.94Å; I194-V197 PolarHBondContact O-N 3.29Å; I194-L198 VanDerWaalsContact O-CB 3.29Å; I194-L198 WeakPolarHBondContact O-CB 3.29Å; I194-L198 PolarHBondContact O-N 3.32Å
195	N	62.3	Low	62.7	Low	58 Å²	58	103.8 Å²	103.8	31%	0.31	54%	0.536	S	S	.	.	H	α-helix	trans	-63	-36.8	177.5	-71.5	-16.7	0	0	0	112.4	L191 K193 L198 Q199	L191-N195 WeakPolarHBondContact O-CB 3.49Å; L191-N195 PolarHBondContact O-N 3.5Å; L191-N195 PolarHBondContact O-ND2 3.23Å; K193-N195 PolarHBondContact O-N 2.88Å; N195-L198 PolarHBondContact O-N 3.24Å; N195-Q199 VanDerWaalsContact O-CB 3.28Å; N195-Q199 WeakPolarHBondContact O-CB 3.48Å; N195-Q199 VanDerWaalsContact O-CG 3.27Å; N195-Q199 WeakPolarHBondContact O-CG 3.48Å; N195-Q199 PolarHBondContact O-N 2.93Å
196	S	62.2	Low	63.2	Low	60 Å²	60	100 Å²	100	42%	0.42	51%	0.514	S	S	.	.	H	α-helix	trans	-69.9	-37.1	177.5	68	0	0	0	0	113.1	K192 K193 I194 K200	K192-S196 WeakPolarHBondContact O-CB 3.36Å; K192-S196 PolarHBondContact O-N 3.22Å; K192-S196 PolarHBondContact O-OG 2.9Å; K193-S196 PolarHBondContact O-N 3.25Å; K193-S196 PolarHBondContact O-OG 3.03Å; I194-S196 VanDerWaalsContact C-N 3.34Å; I194-S196 PolarHBondContact O-N 2.94Å; S196-K200 WeakPolarHBondContact O-CB 3.46Å; S196-K200 PolarHBondContact O-N 3.21Å
197	V	67.4	Low	63.8	Low	102 Å²	102	94.8 Å²	94.8	62%	0.618	49%	0.49	S	S	*	.	H	α-helix	trans	-68.6	-43.2	173.2	173.3	0	0	0	0	110.1	K193 I194 K200 L201	K193-V197 WeakPolarHBondContact O-CG2 3.22Å; K193-V197 PolarHBondContact O-N 3.38Å; I194-V197 PolarHBondContact O-N 3.29Å; V197-K200 PolarHBondContact O-N 3.33Å; V197-L201 WeakPolarHBondContact O-CB 3.43Å; V197-L201 PolarHBondContact O-N 3Å
198	L	67	Low	64.2	Low	94 Å²	94	100.2 Å²	100.2	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-63.3	-44.5	176.2	-174.5	63.9	0	0	0	111.5	I194 N195 L201 T202	I194-L198 VanDerWaalsContact O-CB 3.29Å; I194-L198 WeakPolarHBondContact O-CB 3.29Å; I194-L198 PolarHBondContact O-N 3.32Å; N195-L198 PolarHBondContact O-N 3.24Å; L198-L201 PolarHBondContact O-N 2.98Å; L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-N 2.93Å; L198-T202 PolarHBondContact O-OG1 3.45Å
199	Q	62.2	Low	64.6	Low	92 Å²	92	89.9 Å²	89.9	43%	0.43	47%	0.472	S	S	.	.	H	α-helix	trans	-58.3	-51.3	174.3	-81.3	174.7	-36.8	0	0	110.7	N195 L201 T202 D203	N195-Q199 VanDerWaalsContact O-CB 3.28Å; N195-Q199 WeakPolarHBondContact O-CB 3.48Å; N195-Q199 VanDerWaalsContact O-CG 3.27Å; N195-Q199 WeakPolarHBondContact O-CG 3.48Å; N195-Q199 PolarHBondContact O-N 2.93Å; Q199-L201 PolarHBondContact O-N 3.18Å; Q199-L201 VanDerWaalsContact O-N 3.17Å; Q199-T202 CarbonylContact O-C 3.58Å; Q199-T202 WeakPolarHBondContact O-CA 3.32Å; Q199-T202 PolarHBondContact O-N 3.02Å; Q199-D203 PolarHBondContact O-N 2.86Å; Q199-D203 VanDerWaalsContact O-OD1 3.12Å
200	K	70.8	Confident	63.9	Low	173 Å²	173	92 Å²	92	75%	0.752	48%	0.484	S	S	*	.	H	α-helix	trans	-59.3	-30.5	178	-168.2	173.5	-177.5	179.1	0	113.6	S196 V197	S196-K200 WeakPolarHBondContact O-CB 3.46Å; S196-K200 PolarHBondContact O-N 3.21Å; V197-K200 PolarHBondContact O-N 3.33Å
201	L	73.1	Confident	63.6	Low	127 Å²	127	89.6 Å²	89.6	67%	0.665	47%	0.469	S	S	*	.	H	α-helix	trans	-78.1	-28.3	172.8	-173.2	66.1	0	0	0	112.9	V197 L198 Q199	V197-L201 WeakPolarHBondContact O-CB 3.43Å; V197-L201 PolarHBondContact O-N 3Å; L198-L201 PolarHBondContact O-N 2.98Å; Q199-L201 PolarHBondContact O-N 3.18Å; Q199-L201 VanDerWaalsContact O-N 3.17Å
202	T	68.1	Low	62.8	Low	20 Å²	20	88.1 Å²	88.1	12%	0.123	46%	0.459	C	S	.	.	H	α-helix	trans	-97.3	-18.1	-173.2	-49.7	0	0	0	0	113.1	L198 Q199 P204 I205 Q206 Y314	L198-T202 WeakPolarHBondContact O-CB 3.45Å; L198-T202 PolarHBondContact O-N 2.93Å; L198-T202 PolarHBondContact O-OG1 3.45Å; Q199-T202 CarbonylContact O-C 3.58Å; Q199-T202 WeakPolarHBondContact O-CA 3.32Å; Q199-T202 PolarHBondContact O-N 3.02Å; T202-P204 VanDerWaalsContact C-CD 3.48Å; T202-I205 HydrophobicContact CG2-CB 4.39Å; T202-I205 CarbonylContact O-C 3.57Å; T202-I205 WeakPolarHBondContact O-CA 3.47Å; T202-I205 VanDerWaalsContact O-CB 3.3Å; T202-I205 WeakPolarHBondContact O-CB 3.4Å; T202-I205 PolarHBondContact O-N 2.99Å; T202-Q206 HydrophobicContact CG2-CG 4.4Å; T202-Q206 PolarHBondContact O-N 3.2Å; T202-Q206 VanDerWaalsContact O-N 3.13Å; T202-Y314 HydrophobicContact CG2-CD2 3.96Å; T202-Y314 HydrophobicContact CG2-CE2 3.31Å
203	D	65.9	Low	61.8	Low	92 Å²	92	93.8 Å²	93.8	49%	0.492	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-47.3	-46	177.5	-78.8	-9.8	0	0	0	114.9	Q199 I205 Q206	Q199-D203 PolarHBondContact O-N 2.86Å; Q199-D203 VanDerWaalsContact O-OD1 3.12Å; D203-I205 PolarHBondContact O-N 2.9Å; D203-I205 VanDerWaalsContact O-N 3.15Å; D203-Q206 PolarHBondContact O-N 3.27Å; D203-Q206 PolarHBondContact OD1-NE2 2.96Å
204	P	71.1	Confident	60.8	Low	97 Å²	97	90.8 Å²	90.8	63%	0.63	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-67.5	-13.2	176.3	26.8	-34.9	0	0	0	114	T202	T202-P204 VanDerWaalsContact C-CD 3.48Å
205	I	72.8	Confident	60.1	Low	59 Å²	59	91.4 Å²	91.4	30%	0.303	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-99.3	-11.8	-179.5	-40.5	-176.7	0	0	0	110.7	T202 D203 Y312 K313 Y314	T202-I205 HydrophobicContact CG2-CB 4.39Å; T202-I205 CarbonylContact O-C 3.57Å; T202-I205 WeakPolarHBondContact O-CA 3.47Å; T202-I205 VanDerWaalsContact O-CB 3.3Å; T202-I205 WeakPolarHBondContact O-CB 3.4Å; T202-I205 PolarHBondContact O-N 2.99Å; D203-I205 PolarHBondContact O-N 2.9Å; D203-I205 VanDerWaalsContact O-N 3.15Å; I205-Y312 WeakPolarHBondContact CG2-O 3.3Å; I205-K313 CarbonylContact O-C 3.57Å; I205-K313 WeakPolarHBondContact O-CA 3.4Å; I205-K313 WeakPolarHBondContact O-CB 3.42Å; I205-Y314 HydrophobicContact CB-CD2 4.09Å; I205-Y314 HydrophobicContact CB-CE2 4.07Å; I205-Y314 HydrophobicContact CG2-CD2 3.67Å; I205-Y314 HydrophobicContact CG2-CE2 3.68Å; I205-Y314 PolarHBondContact O-N 3.44Å
206	Q	66	Low	59.5	Low	45 Å²	45	92.3 Å²	92.3	21%	0.21	48%	0.483	C	S	.	.	S	Bend	trans	-78.6	144.4	178.3	-73.4	174	54.1	0	0	111.7	T202 D203 H212	T202-Q206 HydrophobicContact CG2-CG 4.4Å; T202-Q206 PolarHBondContact O-N 3.2Å; T202-Q206 VanDerWaalsContact O-N 3.13Å; D203-Q206 PolarHBondContact O-N 3.27Å; D203-Q206 PolarHBondContact OD1-NE2 2.96Å; Q206-H212 PolarHBondContact OE1-CD2 3.36Å
207	P	64.3	Low	59	Low	6 Å²	6	93.5 Å²	93.5	4%	0.039	48%	0.483	C	S	.	.			trans	-70.5	142.2	174.4	31	-35.1	0	0	0	110.8	V209 E304 P316	P207-V209 HydrophobicContact CB-CG2 4.26Å; P207-V209 PolarHBondContact O-N 3.35Å; P207-E304 VanDerWaalsContact CA-OE2 3.32Å; P207-E304 WeakPolarHBondContact CA-OE2 3.41Å; P207-P316 HydrophobicContact CB-CB 4.33Å; P207-P316 HydrophobicContact CG-CB 4.04Å
208	K	58.3	Low	58.8	Low	180 Å²	180	90 Å²	90	78%	0.783	46%	0.459	S	S	*	.			trans	-79.1	65.7	-178.2	-69.5	-174.1	178	-179.9	0	111.7	E304	K208-E304 PolarHBondContact N-OE2 2.87Å
209	V	59.3	Low	59.1	Low	23 Å²	23	90 Å²	90	14%	0.139	45%	0.453	C	S	.	.			trans	-112.8	131.3	179.3	-177	0	0	0	0	110.1	P207 E211 H212 P316 L319	P207-V209 HydrophobicContact CB-CG2 4.26Å; P207-V209 PolarHBondContact O-N 3.35Å; V209-E211 HydrophobicContact CG1-CB 4.48Å; V209-E211 PolarHBondContact O-N 2.84Å; V209-E211 VanDerWaalsContact O-N 3.1Å; V209-H212 PolarHBondContact O-N 3.4Å; V209-P316 HydrophobicContact CG2-CB 4.21Å; V209-L319 HydrophobicContact CG2-CD2 4.34Å
210	A	47.3	Very low	59.7	Low	101 Å²	101	86.1 Å²	86.1	84%	0.835	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.6	-175.2	0	0	0	0	0	114	H212	A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 PolarHBondContact O-N 2.91Å
211	E	48.1	Very low	59.8	Low	92 Å²	92	78.6 Å²	78.6	43%	0.43	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-79.4	-6.2	178.9	-64	-172.5	150.1	0	0	114.8	V209	V209-E211 HydrophobicContact CG1-CB 4.48Å; V209-E211 PolarHBondContact O-N 2.84Å; V209-E211 VanDerWaalsContact O-N 3.1Å
212	H	38.5	Very low	60.1	Low	72 Å²	72	75.2 Å²	75.2	33%	0.333	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-88.1	-4.3	-174.6	-143.8	57.5	0	0	0	115.1	Q206 V209 A210	Q206-H212 PolarHBondContact OE1-CD2 3.36Å; V209-H212 PolarHBondContact O-N 3.4Å; A210-H212 VanDerWaalsContact C-N 3.34Å; A210-H212 PolarHBondContact O-N 2.91Å
213	R	40.9	Very low	60.6	Low	211 Å²	211	75.9 Å²	75.9	80%	0.796	39%	0.388	S	S	*	.	S	Bend	trans	-59.6	133.8	162	-79.8	-177	172.9	170.6	-0.9	108.2	Q215	R213-Q215 PolarHBondContact O-N 3.22Å
214	P	46.9	Very low	61.3	Low	95 Å²	95	71.7 Å²	71.7	62%	0.617	37%	0.365	S	S	*	.			trans	-59.7	105.6	178.5	24.1	-33.1	0	0	0	108.8	T216	P214-T216 PolarHBondContact O-N 3.32Å
215	Q	49.5	Very low	61.7	Low	121 Å²	121	68.1 Å²	68.1	57%	0.565	34%	0.342	S	S	*	.			trans	-66.6	100.1	-179.6	-69.2	-175.1	-5.7	0	0	108.1	I184 R213 M217	I184-Q215 WeakPolarHBondContact CD1-O 3.32Å; R213-Q215 PolarHBondContact O-N 3.22Å; Q215-M217 PolarHBondContact O-N 2.99Å; Q215-M217 VanDerWaalsContact O-N 3.09Å
216	T	49.5	Very low	62	Low	77 Å²	77	71.5 Å²	71.5	47%	0.472	35%	0.351	S	S	.	.	S	Bend	trans	-66.3	-6.2	177.9	52.3	0	0	0	0	112.7	H183 I184 P214	H183-T216 WeakPolarHBondContact CA-O 3.38Å; H183-T216 PolarHBondContact ND1-O 2.99Å; I184-T216 PolarHBondContact N-O 3.21Å; P214-T216 PolarHBondContact O-N 3.32Å
217	M	51.7	Low	62.4	Low	85 Å²	85	77.2 Å²	77.2	42%	0.419	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125	176	-66.6	-172.6	-71	0	0	109.8	M181 Y182 H183 Q215	M181-M217 HydrophobicContact CB-CB 4.33Å; M181-M217 HydrophobicContact SD-CB 4.36Å; M181-M217 HydrophobicContact SD-CE 4.39Å; M181-M217 HydrophobicContact SD-SD 4.32Å; Y182-M217 WeakPolarHBondContact O-CA 3.48Å; H183-M217 WeakPolarHBondContact CE1-CG 3.15Å; H183-M217 WeakPolarHBondContact ND1-CG 3.48Å; Q215-M217 PolarHBondContact O-N 2.99Å; Q215-M217 VanDerWaalsContact O-N 3.09Å
218	K	64.4	Low	62.9	Low	27 Å²	27	78.8 Å²	78.8	12%	0.117	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.2	167.3	-167	-171	169.4	-165.2	0	108.1	M181 Y182 I184 D439 E926	M181-K218 WeakPolarHBondContact CA-O 3.46Å; Y182-K218 HydrophobicContact CE1-CB 4.1Å; Y182-K218 HydrophobicContact CE1-CD 4.47Å; Y182-K218 PolarHBondContact N-O 3.25Å; Y182-K218 PolarHBondContact O-N 2.96Å; I184-K218 HydrophobicContact CD1-CB 4.2Å; I184-K218 HydrophobicContact CG1-CB 4.23Å; K218-D439 WeakPolarHBondContact CE-OD1 3.27Å; K218-D439 IonicContact NZ-OD1 2.85Å; K218-D439 PolarHBondContact NZ-OD1 2.89Å; K218-E926 IonicContact NZ-OE1 2.72Å; K218-E926 PolarHBondContact NZ-OE1 3.49Å
219	R	71.6	Confident	63.5	Low	96 Å²	96	73.4 Å²	73.4	36%	0.362	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.2	165.2	-67	-180	-178.4	-147.6	-9.4	108.2	P177 M181 S221 D233	P177-R219 HydrophobicContact CB-CB 3.88Å; P177-R219 HydrophobicContact CB-CG 4.49Å; M181-R219 HydrophobicContact CE-CG 3.87Å; M181-R219 HydrophobicContact CG-CG 3.83Å; R219-S221 PolarHBondContact O-N 3.49Å; R219-D233 IonicContact CZ-OD2 3.8Å; R219-D233 VanDerWaalsContact CZ-OD2 3.26Å; R219-D233 IonicContact NH1-OD2 3.46Å; R219-D233 PolarHBondContact NH1-OD2 3.1Å; R219-D233 IonicContact NH2-OD2 2.96Å; R219-D233 PolarHBondContact NH2-OD2 3.47Å
220	L	75.2	Confident	64	Low	9 Å²	9	76.5 Å²	76.5	5%	0.047	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.3	174.9	-177.1	71.9	0	0	0	109	T178 K180 Y182 E926 M930 L933	T178-L220 WeakPolarHBondContact CB-O 3.47Å; T178-L220 WeakPolarHBondContact CG2-O 3.01Å; T178-L220 PolarHBondContact N-O 3.34Å; T178-L220 PolarHBondContact OG1-O 3.42Å; K180-L220 PolarHBondContact O-N 2.89Å; Y182-L220 HydrophobicContact CD1-CB 4.44Å; Y182-L220 HydrophobicContact CE1-CD1 4.34Å; L220-E926 HydrophobicContact CD1-CB 4.06Å; L220-E926 HydrophobicContact CD1-CG 3.91Å; L220-M930 HydrophobicContact CD2-CB 4.22Å; L220-L933 HydrophobicContact CD2-CD1 3.57Å
221	S	74.4	Confident	65.2	Low	16 Å²	16	72.8 Å²	72.8	11%	0.112	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.9	179	62	0	0	0	0	111.7	M176 R219 D439	M176-S221 VanDerWaalsContact O-CA 3.31Å; M176-S221 WeakPolarHBondContact O-CA 3.4Å; R219-S221 PolarHBondContact O-N 3.49Å; S221-D439 WeakPolarHBondContact CB-OD2 3.27Å; S221-D439 PolarHBondContact OG-OD1 2.61Å; S221-D439 PolarHBondContact OG-OD2 2.71Å
222	Y	77.4	Confident	66.7	Low	55 Å²	55	68.4 Å²	68.4	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.2	176.7	-176.2	-99.6	0	0	0	109.9	K175 M176 F224 F232 M930 F934	K175-Y222 WeakPolarHBondContact CA-O 3.35Å; M176-Y222 PolarHBondContact N-O 2.82Å; M176-Y222 PolarHBondContact O-N 2.83Å; Y222-F224 PolarHBondContact O-N 3.24Å; Y222-F232 HydrophobicContact CD1-CZ 4.15Å; Y222-M930 HydrophobicContact CD2-CG 4.39Å; Y222-M930 HydrophobicContact CD2-SD 4.29Å; Y222-M930 HydrophobicContact CE2-SD 4.31Å; Y222-F934 HydrophobicContact CD1-CZ 4.25Å; Y222-F934 AromaticContact CD2-CE2 3.92Å; Y222-F934 HydrophobicContact CD2-CE2 3.92Å; Y222-F934 AromaticContact CD2-CZ 3.69Å; Y222-F934 HydrophobicContact CD2-CZ 3.69Å; Y222-F934 AromaticContact CE1-CZ 3.92Å; Y222-F934 HydrophobicContact CE1-CZ 3.92Å; Y222-F934 AromaticContact CE2-CE2 3.5Å; Y222-F934 HydrophobicContact CE2-CE2 3.5Å; Y222-F934 AromaticContact CE2-CZ 3.32Å; Y222-F934 HydrophobicContact CE2-CZ 3.32Å; Y222-F934 HydrophobicContact CG-CZ 4.19Å; Y222-F934 AromaticContact CZ-CZ 3.46Å; Y222-F934 VanDerWaalsContact CZ-CZ 3.46Å
223	P	79.2	Confident	68.3	Low	34 Å²	34	66.9 Å²	66.9	22%	0.221	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	127.3	173	20.3	-34.7	0	0	0	111.4	K173 S225	K173-P223 HydrophobicContact CB-CB 4.14Å; P223-S225 PolarHBondContact O-N 3.02Å
224	F	80.5	Confident	69.9	Low	4 Å²	4	59 Å²	59	2%	0.018	29%	0.288	C	S	.	.			trans	-58.9	132.6	-177	-173.2	-96.7	0	0	0	110.9	C166 A169 E170 L174 M176 Y222 R226 Q229 F232 F240	C166-F224 HydrophobicContact CB-CE1 3.81Å; C166-F224 HydrophobicContact CB-CZ 4.18Å; C166-F224 WeakPolarHBondContact O-CE1 3.46Å; A169-F224 HydrophobicContact CB-CB 4.29Å; A169-F224 HydrophobicContact CB-CD1 3.84Å; A169-F224 HydrophobicContact CB-CG 4.22Å; E170-F224 WeakPolarHBondContact CA-O 3.37Å; E170-F224 HydrophobicContact CB-CD1 4.35Å; L174-F224 WeakPolarHBondContact O-CB 3.46Å; L174-F224 PolarHBondContact O-N 3.49Å; M176-F224 HydrophobicContact CB-CD2 4.35Å; M176-F224 HydrophobicContact CG-CB 3.93Å; M176-F224 HydrophobicContact CG-CD2 4.04Å; M176-F224 HydrophobicContact CG-CG 4.36Å; Y222-F224 PolarHBondContact O-N 3.24Å; F224-R226 HydrophobicContact CE1-CG 4.18Å; F224-Q229 HydrophobicContact CZ-CG 4.25Å; F224-F232 HydrophobicContact CD2-CD2 4.03Å; F224-F232 HydrophobicContact CD2-CE1 4.5Å; F224-F232 HydrophobicContact CD2-CE2 4.01Å; F224-F232 HydrophobicContact CD2-CG 4.27Å; F224-F232 HydrophobicContact CD2-CZ 4.25Å; F224-F232 HydrophobicContact CE2-CD2 4.13Å; F224-F232 HydrophobicContact CE2-CE2 4.47Å; F224-F232 HydrophobicContact CE2-CG 4.43Å; F224-F240 HydrophobicContact CD2-CE1 4.18Å; F224-F240 HydrophobicContact CD2-CZ 4.16Å; F224-F240 AromaticContact CE2-CE1 3.95Å; F224-F240 HydrophobicContact CE2-CE1 3.95Å; F224-F240 HydrophobicContact CE2-CZ 4.08Å
225	S	80.6	Confident	70.8	Confident	22 Å²	22	59.8 Å²	59.8	15%	0.154	30%	0.295	C	S	.	.			trans	-137.6	140.1	172.3	174.9	0	0	0	0	110.4	E170 P223 K228 Q229	E170-S225 WeakPolarHBondContact OE1-CA 3.45Å; E170-S225 WeakPolarHBondContact OE1-CB 3.48Å; E170-S225 PolarHBondContact OE1-OG 2.92Å; P223-S225 PolarHBondContact O-N 3.02Å; S225-K228 CarbonylContact O-C 3.58Å; S225-K228 PolarHBondContact O-N 3.39Å; S225-Q229 PolarHBondContact O-N 3.38Å
226	R	77.8	Confident	71.8	Confident	131 Å²	131	58 Å²	58	49%	0.494	29%	0.29	S	S	.	.	S	Bend	trans	-70.4	-33.1	-178.2	-72.3	175.9	55.7	-136.3	-1.7	112.1	C166 E170 F224 K228 Q229	C166-R226 HydrophobicContact CB-CG 4.21Å; E170-R226 PolarHBondContact OE1-N 3.45Å; E170-R226 WeakPolarHBondContact OE2-CB 3.41Å; E170-R226 VanDerWaalsContact OE2-CD 3.22Å; E170-R226 WeakPolarHBondContact OE2-CD 3.33Å; E170-R226 VanDerWaalsContact OE2-CG 3.29Å; E170-R226 WeakPolarHBondContact OE2-CG 3.41Å; F224-R226 HydrophobicContact CE1-CG 4.18Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-Q229 WeakPolarHBondContact O-CG 3.26Å
227	E	74.5	Confident	73.1	Confident	164 Å²	164	60.2 Å²	60.2	77%	0.766	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.8	174.9	-62.9	178.6	179.6	0	0	111.9
228	K	75.4	Confident	73.9	Confident	40 Å²	40	62.9 Å²	62.9	17%	0.174	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	28.3	-176.7	-51.5	-163.2	-178.5	-165.8	0	113.7	S225 R226 H230 L231 F232 F934	S225-K228 CarbonylContact O-C 3.58Å; S225-K228 PolarHBondContact O-N 3.39Å; R226-K228 VanDerWaalsContact C-N 3.3Å; K228-H230 PolarHBondContact O-N 3.42Å; K228-H230 VanDerWaalsContact O-N 3.08Å; K228-L231 HydrophobicContact CB-CD1 3.94Å; K228-L231 HydrophobicContact CB-CG 4.44Å; K228-L231 HydrophobicContact CD-CD1 4.04Å; K228-L231 WeakPolarHBondContact O-CB 3.23Å; K228-L231 PolarHBondContact O-N 3.2Å; K228-F232 WeakPolarHBondContact O-CD2 3.42Å; K228-F232 WeakPolarHBondContact O-CE2 3.44Å; K228-F934 HydrophobicContact CD-CE1 3.95Å
229	Q	70.5	Confident	74.4	Confident	66 Å²	66	65.2 Å²	65.2	31%	0.308	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-54	-30.1	179.6	-84.9	177.2	11.3	0	0	113.9	F224 S225 R226 L231 F232 L234	F224-Q229 HydrophobicContact CZ-CG 4.25Å; S225-Q229 PolarHBondContact O-N 3.38Å; R226-Q229 WeakPolarHBondContact O-CG 3.26Å; Q229-L231 VanDerWaalsContact C-N 3.27Å; Q229-L231 PolarHBondContact O-N 3.01Å; Q229-F232 PolarHBondContact O-N 2.85Å; Q229-F232 VanDerWaalsContact O-N 3.14Å; Q229-L234 HydrophobicContact CB-CD1 3.97Å; Q229-L234 HydrophobicContact CG-CD1 4.26Å
230	H	70.1	Confident	74.9	Confident	89 Å²	89	61.9 Å²	61.9	41%	0.412	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-65.2	-24.6	178.9	51.2	-88.9	0	0	0	114.1	K179 K228 F232 E937	K179-H230 WeakPolarHBondContact CE-O 3.42Å; K179-H230 PolarHBondContact NZ-O 3.07Å; K228-H230 PolarHBondContact O-N 3.42Å; K228-H230 VanDerWaalsContact O-N 3.08Å; H230-F232 VanDerWaalsContact C-N 3.28Å; H230-F232 PolarHBondContact O-N 2.8Å; H230-E937 IonicContact CD2-OE1 2.72Å; H230-E937 PolarHBondContact CD2-OE1 2.86Å; H230-E937 VanDerWaalsContact NE2-CD 3.35Å; H230-E937 IonicContact NE2-OE1 3.64Å; H230-E937 PolarHBondContact NE2-OE1 3.28Å; H230-E937 IonicContact NE2-OE2 3.83Å
231	L	72	Confident	75.4	Confident	22 Å²	22	61.6 Å²	61.6	12%	0.115	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-67	-28.2	173.2	-76.6	176.1	0	0	0	112.7	T178 K179 K228 Q229 F934 E937	T178-L231 CarbonylContact C-O 3.5Å; T178-L231 WeakPolarHBondContact CA-O 3.22Å; T178-L231 VanDerWaalsContact CB-O 3.26Å; T178-L231 WeakPolarHBondContact CB-O 3.43Å; T178-L231 HydrophobicContact CG2-CB 4.32Å; K179-L231 PolarHBondContact N-O 3.2Å; K228-L231 HydrophobicContact CB-CD1 3.94Å; K228-L231 HydrophobicContact CB-CG 4.44Å; K228-L231 HydrophobicContact CD-CD1 4.04Å; K228-L231 WeakPolarHBondContact O-CB 3.23Å; K228-L231 PolarHBondContact O-N 3.2Å; Q229-L231 VanDerWaalsContact C-N 3.27Å; Q229-L231 PolarHBondContact O-N 3.01Å; L231-F934 HydrophobicContact CD1-CE1 3.99Å; L231-E937 WeakPolarHBondContact CD2-OE1 3.05Å; L231-E937 WeakPolarHBondContact CG-OE1 3.38Å
232	F	79.8	Confident	75.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-92.1	148.1	-173.1	-57.6	-77.5	0	0	0	111.9	M176 T178 K179 Y222 F224 K228 Q229 H230 L234 F240	M176-F232 HydrophobicContact CB-CD1 3.71Å; M176-F232 HydrophobicContact CB-CE1 3.66Å; T178-F232 HydrophobicContact CG2-CD1 4.26Å; T178-F232 HydrophobicContact CG2-CE1 4.07Å; K179-F232 WeakPolarHBondContact CE-O 3.36Å; Y222-F232 HydrophobicContact CD1-CZ 4.15Å; F224-F232 HydrophobicContact CD2-CD2 4.03Å; F224-F232 HydrophobicContact CD2-CE1 4.5Å; F224-F232 HydrophobicContact CD2-CE2 4.01Å; F224-F232 HydrophobicContact CD2-CG 4.27Å; F224-F232 HydrophobicContact CD2-CZ 4.25Å; F224-F232 HydrophobicContact CE2-CD2 4.13Å; F224-F232 HydrophobicContact CE2-CE2 4.47Å; F224-F232 HydrophobicContact CE2-CG 4.43Å; K228-F232 WeakPolarHBondContact O-CD2 3.42Å; K228-F232 WeakPolarHBondContact O-CE2 3.44Å; Q229-F232 PolarHBondContact O-N 2.85Å; Q229-F232 VanDerWaalsContact O-N 3.14Å; H230-F232 VanDerWaalsContact C-N 3.28Å; H230-F232 PolarHBondContact O-N 2.8Å; F232-L234 HydrophobicContact CB-CD2 4.4Å; F232-L234 HydrophobicContact CB-CG 4.34Å; F232-L234 PolarHBondContact O-N 3.03Å; F232-L234 VanDerWaalsContact O-N 3.1Å; F232-F240 HydrophobicContact CB-CE2 4.09Å; F232-F240 HydrophobicContact CB-CZ 4.1Å; F232-F240 HydrophobicContact CD1-CZ 4.47Å; F232-F240 HydrophobicContact CG-CZ 4.42Å
233	D	72.1	Confident	76.2	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.214	32%	0.323	C	S	.	.			trans	-80.3	87.8	176.7	-177.5	12.6	0	0	0	110	K179 R219 S235 F240	K179-D233 HydrophobicContact CG-CB 4.21Å; R219-D233 IonicContact CZ-OD2 3.8Å; R219-D233 VanDerWaalsContact CZ-OD2 3.26Å; R219-D233 IonicContact NH1-OD2 3.46Å; R219-D233 PolarHBondContact NH1-OD2 3.1Å; R219-D233 IonicContact NH2-OD2 2.96Å; R219-D233 PolarHBondContact NH2-OD2 3.47Å; D233-S235 VanDerWaalsContact C-N 3.29Å; D233-S235 PolarHBondContact O-N 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-OG 3.39Å; D233-F240 WeakPolarHBondContact O-CD2 3.42Å
234	L	75.8	Confident	76.7	Confident	46 Å²	46	61.9 Å²	61.9	24%	0.241	32%	0.318	C	S	.	.			trans	-92.5	24.9	-178.1	-61.9	177.9	0	0	0	113.2	W162 Q229 F232 D236 F240	W162-L234 HydrophobicContact CH2-CD2 3.85Å; W162-L234 HydrophobicContact CZ2-CD2 3.82Å; Q229-L234 HydrophobicContact CB-CD1 3.97Å; Q229-L234 HydrophobicContact CG-CD1 4.26Å; F232-L234 HydrophobicContact CB-CD2 4.4Å; F232-L234 HydrophobicContact CB-CG 4.34Å; F232-L234 PolarHBondContact O-N 3.03Å; F232-L234 VanDerWaalsContact O-N 3.1Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.14Å; L234-F240 HydrophobicContact CD2-CD1 4.29Å; L234-F240 HydrophobicContact CD2-CD2 4.01Å; L234-F240 HydrophobicContact CD2-CE1 4.25Å; L234-F240 HydrophobicContact CD2-CE2 3.97Å; L234-F240 HydrophobicContact CD2-CG 4.17Å; L234-F240 HydrophobicContact CD2-CZ 4.09Å
235	S	64.6	Low	77	Confident	111 Å²	111	62.6 Å²	62.6	78%	0.776	32%	0.323	S	S	*	.	S	Bend	trans	-61.8	-36	-176.8	-57.9	0	0	0	0	113.1	D233	D233-S235 VanDerWaalsContact C-N 3.29Å; D233-S235 PolarHBondContact O-N 3.33Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-OG 3.39Å
236	D	71.6	Confident	77.5	Confident	85 Å²	85	62.5 Å²	62.5	46%	0.455	32%	0.319	S	S	.	.			trans	-127	113	173.1	178.5	-8.9	0	0	0	109	L234 D238 S239 F240	L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 3.14Å; D236-D238 PolarHBondContact OD1-N 3.32Å; D236-S239 PolarHBondContact OD1-N 2.68Å; D236-S239 WeakPolarHBondContact OD2-CB 3.26Å; D236-F240 VanDerWaalsContact O-CB 3.31Å; D236-F240 WeakPolarHBondContact O-CB 3.47Å; D236-F240 PolarHBondContact O-N 3.11Å; D236-F240 VanDerWaalsContact O-N 3.16Å
237	K	75.1	Confident	78.1	Confident	123 Å²	123	56.5 Å²	56.5	54%	0.535	30%	0.297	S	S	.	.	H	α-helix	trans	-76.1	-26.8	-179.4	-66.9	178.2	-176.4	170.6	0	112.9	W162	W162-K237 HydrophobicContact CD2-CB 4.46Å; W162-K237 HydrophobicContact CE3-CB 4.02Å; W162-K237 HydrophobicContact CH2-CB 4.36Å; W162-K237 HydrophobicContact CH2-CG 4.34Å; W162-K237 HydrophobicContact CZ2-CG 4.38Å; W162-K237 HydrophobicContact CZ3-CB 3.96Å; W162-K237 HydrophobicContact CZ3-CG 4.41Å; W162-K237 WeakPolarHBondContact CZ3-O 3.21Å
238	D	69.8	Low	78.8	Confident	140 Å²	140	49.7 Å²	49.7	75%	0.749	27%	0.267	S	S	*	.	H	α-helix	trans	-83.7	-31	-176.6	-66.7	-32	0	0	0	110.9	D236	D236-D238 PolarHBondContact OD1-N 3.32Å
239	S	74.8	Confident	79.5	Confident	77 Å²	77	47.8 Å²	47.8	54%	0.538	26%	0.259	S	S	.	.	H	α-helix	trans	-88.5	-14.8	172.1	-169.9	0	0	0	0	115.2	D236 F241	D236-S239 PolarHBondContact OD1-N 2.68Å; D236-S239 WeakPolarHBondContact OD2-CB 3.26Å; S239-F241 PolarHBondContact O-N 3.28Å
240	F	82.3	Confident	80.5	Confident	26 Å²	26	44.7 Å²	44.7	11%	0.114	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-39.2	-177.1	-178.9	-96.6	0	0	0	113.5	W162 M176 F224 F232 D233 L234 D236	W162-F240 HydrophobicContact CH2-CB 4.07Å; W162-F240 AromaticContact CH2-CD1 3.67Å; W162-F240 HydrophobicContact CH2-CD1 3.67Å; W162-F240 HydrophobicContact CH2-CE1 4.42Å; W162-F240 HydrophobicContact CH2-CG 4.07Å; W162-F240 HydrophobicContact CZ3-CB 4.17Å; W162-F240 HydrophobicContact CZ3-CD1 4.15Å; M176-F240 HydrophobicContact CB-CZ 3.83Å; M176-F240 HydrophobicContact CG-CE1 4.13Å; M176-F240 HydrophobicContact CG-CZ 3.94Å; M176-F240 HydrophobicContact SD-CE1 4.13Å; M176-F240 HydrophobicContact SD-CZ 4.22Å; F224-F240 HydrophobicContact CD2-CE1 4.18Å; F224-F240 HydrophobicContact CD2-CZ 4.16Å; F224-F240 AromaticContact CE2-CE1 3.95Å; F224-F240 HydrophobicContact CE2-CE1 3.95Å; F224-F240 HydrophobicContact CE2-CZ 4.08Å; F232-F240 HydrophobicContact CB-CE2 4.09Å; F232-F240 HydrophobicContact CB-CZ 4.1Å; F232-F240 HydrophobicContact CD1-CZ 4.47Å; F232-F240 HydrophobicContact CG-CZ 4.42Å; D233-F240 WeakPolarHBondContact O-CD2 3.42Å; L234-F240 HydrophobicContact CD2-CD1 4.29Å; L234-F240 HydrophobicContact CD2-CD2 4.01Å; L234-F240 HydrophobicContact CD2-CE1 4.25Å; L234-F240 HydrophobicContact CD2-CE2 3.97Å; L234-F240 HydrophobicContact CD2-CG 4.17Å; L234-F240 HydrophobicContact CD2-CZ 4.09Å; D236-F240 VanDerWaalsContact O-CB 3.31Å; D236-F240 WeakPolarHBondContact O-CB 3.47Å; D236-F240 PolarHBondContact O-N 3.11Å; D236-F240 VanDerWaalsContact O-N 3.16Å
241	F	84.3	Confident	81.4	Confident	3 Å²	3	43.3 Å²	43.3	1%	0.013	24%	0.236	C	C	.	.	S	Bend	trans	-102.4	103.4	173.4	-67.9	-73.8	0	0	0	110.4	W162 L165 A169 M176 S239 T245 R246 I249	W162-F241 HydrophobicContact CD2-CE2 4.46Å; W162-F241 AromaticContact CE3-CD2 3.86Å; W162-F241 HydrophobicContact CE3-CD2 3.86Å; W162-F241 AromaticContact CE3-CE2 3.83Å; W162-F241 HydrophobicContact CE3-CE2 3.83Å; W162-F241 HydrophobicContact CH2-CD2 4.01Å; W162-F241 AromaticContact CH2-CE2 3.66Å; W162-F241 HydrophobicContact CH2-CE2 3.66Å; W162-F241 HydrophobicContact CZ2-CE2 4.31Å; W162-F241 AromaticContact CZ3-CD2 3.35Å; W162-F241 HydrophobicContact CZ3-CD2 3.35Å; W162-F241 AromaticContact CZ3-CE2 3.39Å; W162-F241 HydrophobicContact CZ3-CE2 3.39Å; L165-F241 HydrophobicContact CB-CD2 4.04Å; L165-F241 HydrophobicContact CB-CE2 3.76Å; L165-F241 HydrophobicContact CB-CZ 4.13Å; L165-F241 HydrophobicContact CD1-CD2 4.02Å; A169-F241 HydrophobicContact CB-CE1 3.83Å; A169-F241 HydrophobicContact CB-CZ 4.1Å; M176-F241 HydrophobicContact CE-CD1 3.75Å; M176-F241 HydrophobicContact CE-CE1 3.6Å; S239-F241 PolarHBondContact O-N 3.28Å; F241-T245 HydrophobicContact CD1-CG2 4.42Å; F241-R246 HydrophobicContact CB-CG 3.65Å; F241-R246 VanDerWaalsContact O-CD 3.25Å; F241-R246 WeakPolarHBondContact O-CD 3.47Å; F241-R246 WeakPolarHBondContact O-CG 3.11Å; F241-I249 HydrophobicContact CD1-CD1 4.39Å; F241-I249 HydrophobicContact CE1-CD1 4.36Å
242	D	84.3	Confident	82.1	Confident	60 Å²	60	44.4 Å²	44.4	32%	0.321	24%	0.24	S	C	.	.			trans	-47.6	149.6	171.7	-74.2	-51.4	0	0	0	112.7	K244 T245 R246 K322	D242-K244 HydrophobicContact CB-CB 4.48Å; D242-K244 PolarHBondContact O-N 3Å; D242-K244 VanDerWaalsContact O-N 3.11Å; D242-T245 PolarHBondContact O-N 3.11Å; D242-R246 PolarHBondContact O-N 3.11Å; D242-K322 WeakPolarHBondContact OD1-CE 3.38Å
243	S	85.9	Confident	82.5	Confident	23 Å²	23	44.4 Å²	44.4	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-52.8	-37.2	175.6	65.3	0	0	0	0	112.7	S247 D285 R774	S243-S247 WeakPolarHBondContact O-CB 3.45Å; S243-S247 PolarHBondContact O-N 2.82Å; S243-S247 PolarHBondContact O-OG 2.91Å; S243-D285 WeakPolarHBondContact CB-OD1 3.39Å; S243-D285 PolarHBondContact OG-OD1 3.08Å; S243-D285 PolarHBondContact OG-OD2 3.19Å; S243-R774 PolarHBondContact OG-NH1 3.39Å; S243-R774 PolarHBondContact OG-NH2 2.84Å; S243-R774 VanDerWaalsContact OG-NH2 3.08Å
244	K	89	Confident	83.2	Confident	27 Å²	27	42.5 Å²	42.5	12%	0.117	23%	0.23	C	C	.	.	H	α-helix	trans	-57.6	-48.2	172.4	-179.3	-101.9	-70.6	-171.2	0	112.7	D242 T248 K322 E326 A777	D242-K244 HydrophobicContact CB-CB 4.48Å; D242-K244 PolarHBondContact O-N 3Å; D242-K244 VanDerWaalsContact O-N 3.11Å; K244-T248 PolarHBondContact O-N 2.84Å; K244-T248 VanDerWaalsContact O-N 3.08Å; K244-T248 PolarHBondContact O-OG1 3.43Å; K244-K322 WeakPolarHBondContact CB-O 3.3Å; K244-E326 IonicContact NZ-OE1 3.53Å; K244-E326 PolarHBondContact NZ-OE1 3.01Å; K244-E326 IonicContact NZ-OE2 2.91Å; K244-A777 HydrophobicContact CD-CB 3.7Å; K244-A777 HydrophobicContact CG-CB 3.42Å; K244-A777 VanDerWaalsContact CG-CB 3.42Å
245	T	87.1	Confident	83.5	Confident	20 Å²	20	43.3 Å²	43.3	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-73.6	-40.1	-175.3	-46.9	0	0	0	0	111.1	L174 M176 F241 D242 T248 I249	L174-T245 HydrophobicContact CD1-CG2 3.85Å; M176-T245 HydrophobicContact CE-CG2 3.98Å; F241-T245 HydrophobicContact CD1-CG2 4.42Å; D242-T245 PolarHBondContact O-N 3.11Å; T245-T248 PolarHBondContact O-N 3.19Å; T245-I249 HydrophobicContact CG2-CD1 4.42Å; T245-I249 WeakPolarHBondContact O-CG1 3.29Å; T245-I249 PolarHBondContact O-N 2.9Å
246	R	90.7	Very high	84.3	Confident	19 Å²	19	42.1 Å²	42.1	7%	0.072	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-50.1	172.1	-63.8	176.6	61.3	99.9	17.5	111.6	D63 H159 A160 L165 F241 D242 T248 I249 V250	D63-R246 WeakPolarHBondContact OD1-CB 3.48Å; D63-R246 IonicContact OD1-CZ 3.71Å; D63-R246 IonicContact OD1-NE 2.65Å; D63-R246 PolarHBondContact OD1-NE 3.25Å; D63-R246 IonicContact OD1-NH2 3.39Å; D63-R246 PolarHBondContact OD1-NH2 3.39Å; D63-R246 IonicContact OD2-CZ 3.11Å; D63-R246 IonicContact OD2-NE 3.47Å; D63-R246 IonicContact OD2-NH2 3.63Å; D63-R246 PolarHBondContact OD2-NH2 3.33Å; H159-R246 PolarHBondContact CE1-NH2 3.39Å; H159-R246 VanDerWaalsContact CE1-NH2 3.26Å; A160-R246 PolarHBondContact O-NH2 2.68Å; L165-R246 HydrophobicContact CD1-CG 4.23Å; L165-R246 HydrophobicContact CD2-CB 4.43Å; L165-R246 HydrophobicContact CD2-CG 4.27Å; F241-R246 HydrophobicContact CB-CG 3.65Å; F241-R246 VanDerWaalsContact O-CD 3.25Å; F241-R246 WeakPolarHBondContact O-CD 3.47Å; F241-R246 WeakPolarHBondContact O-CG 3.11Å; D242-R246 PolarHBondContact O-N 3.11Å; R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.12Å; R246-I249 PolarHBondContact O-N 3.04Å; R246-V250 WeakPolarHBondContact O-CG2 3.35Å; R246-V250 PolarHBondContact O-N 3.02Å
247	S	91.2	Very high	84.8	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-38.6	177.4	-58.9	0	0	0	0	112.7	D63 S243 Y251	D63-S247 PolarHBondContact O-OG 3.34Å; S243-S247 WeakPolarHBondContact O-CB 3.45Å; S243-S247 PolarHBondContact O-N 2.82Å; S243-S247 PolarHBondContact O-OG 2.91Å; S247-Y251 WeakPolarHBondContact O-CB 3.44Å; S247-Y251 PolarHBondContact O-N 2.88Å
248	T	88.9	Confident	84.9	Confident	21 Å²	21	35.6 Å²	35.6	13%	0.129	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-44.9	177.1	-54.1	0	0	0	0	111.3	K244 T245 R246 Y251 E252 A777	K244-T248 PolarHBondContact O-N 2.84Å; K244-T248 VanDerWaalsContact O-N 3.08Å; K244-T248 PolarHBondContact O-OG1 3.43Å; T245-T248 PolarHBondContact O-N 3.19Å; R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.12Å; T248-Y251 PolarHBondContact O-N 2.95Å; T248-E252 PolarHBondContact O-N 3.24Å; T248-A777 PolarHBondContact OG1-O 3.04Å
249	I	89.9	Confident	85	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.5	-48.8	176.2	-70.9	163.6	0	0	0	110.6	L165 E168 A169 L172 L174 F241 T245 R246 Y251 E252 I253	L165-I249 HydrophobicContact CD2-CB 4.2Å; L165-I249 HydrophobicContact CD2-CD1 3.81Å; L165-I249 HydrophobicContact CD2-CG2 3.98Å; E168-I249 HydrophobicContact CB-CG2 3.56Å; E168-I249 HydrophobicContact CG-CG2 4.05Å; A169-I249 HydrophobicContact CB-CD1 4.38Å; L172-I249 HydrophobicContact CD1-CG1 4.33Å; L174-I249 HydrophobicContact CD1-CD1 3.84Å; L174-I249 HydrophobicContact CD1-CG1 3.89Å; F241-I249 HydrophobicContact CD1-CD1 4.39Å; F241-I249 HydrophobicContact CE1-CD1 4.36Å; T245-I249 HydrophobicContact CG2-CD1 4.42Å; T245-I249 WeakPolarHBondContact O-CG1 3.29Å; T245-I249 PolarHBondContact O-N 2.9Å; R246-I249 PolarHBondContact O-N 3.04Å; I249-Y251 VanDerWaalsContact C-N 3.29Å; I249-Y251 PolarHBondContact O-N 3.19Å; I249-E252 PolarHBondContact O-N 3.43Å; I249-I253 HydrophobicContact CG2-CD1 4.13Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.37Å
250	V	91.9	Very high	84.5	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-40	178.4	176.5	0	0	0	0	111.5	D63 Y64 L140 I158 A160 R246 I253 L254	D63-V250 HydrophobicContact CB-CG2 3.94Å; Y64-V250 HydrophobicContact CD2-CG1 4.37Å; Y64-V250 HydrophobicContact CG-CG1 4.12Å; L140-V250 HydrophobicContact CD2-CG2 4.3Å; I158-V250 HydrophobicContact CG2-CG1 3.83Å; A160-V250 HydrophobicContact CB-CG2 3.69Å; R246-V250 WeakPolarHBondContact O-CG2 3.35Å; R246-V250 PolarHBondContact O-N 3.02Å; V250-I253 PolarHBondContact O-N 3.09Å; V250-L254 HydrophobicContact CG1-CD1 4.02Å; V250-L254 HydrophobicContact CG1-CG 4.35Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.24Å; V250-L254 PolarHBondContact O-N 3.08Å
251	Y	89.2	Confident	83.2	Confident	60 Å²	60	36.1 Å²	36.1	24%	0.235	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-37.8	177.8	-174.4	-118	0	0	0	113.6	Y64 S247 T248 I249 L254 K255 V776	Y64-Y251 HydrophobicContact CE2-CD2 4.26Å; Y64-Y251 AromaticContact CZ-CD2 3.92Å; Y64-Y251 WeakPolarHBondContact OH-CD2 3.29Å; S247-Y251 WeakPolarHBondContact O-CB 3.44Å; S247-Y251 PolarHBondContact O-N 2.88Å; T248-Y251 PolarHBondContact O-N 2.95Å; I249-Y251 VanDerWaalsContact C-N 3.29Å; I249-Y251 PolarHBondContact O-N 3.19Å; Y251-L254 PolarHBondContact O-N 3.04Å; Y251-K255 HydrophobicContact CD1-CD 4.24Å; Y251-K255 HydrophobicContact CE1-CD 4.06Å; Y251-K255 PolarHBondContact O-N 3.29Å; Y251-V776 HydrophobicContact CD1-CB 4.3Å; Y251-V776 HydrophobicContact CD1-CG1 3.61Å; Y251-V776 HydrophobicContact CD1-CG2 4.4Å; Y251-V776 HydrophobicContact CD2-CG2 4.16Å; Y251-V776 HydrophobicContact CE1-CB 4.49Å; Y251-V776 HydrophobicContact CE1-CG1 4.23Å; Y251-V776 HydrophobicContact CE2-CG2 4.4Å; Y251-V776 HydrophobicContact CG-CB 4.49Å; Y251-V776 HydrophobicContact CG-CG1 3.8Å; Y251-V776 HydrophobicContact CG-CG2 4.16Å
252	E	85.3	Confident	81.8	Confident	45 Å²	45	36.8 Å²	36.8	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-71.5	-32.4	174	-65.2	-50.7	133.8	0	0	112.6	L172 T248 I249 K255 R256	L172-E252 HydrophobicContact CD1-CB 4.24Å; L172-E252 HydrophobicContact CD1-CG 4.28Å; L172-E252 HydrophobicContact CD2-CB 4.49Å; L172-E252 HydrophobicContact CD2-CG 4.4Å; T248-E252 PolarHBondContact O-N 3.24Å; I249-E252 PolarHBondContact O-N 3.43Å; E252-K255 PolarHBondContact O-N 2.92Å; E252-K255 IonicContact OE1-NZ 2.7Å; E252-K255 PolarHBondContact OE1-NZ 3.3Å; E252-K255 VanDerWaalsContact OE2-CD 3.24Å; E252-K255 WeakPolarHBondContact OE2-CD 3.41Å; E252-K255 IonicContact OE2-NZ 2.86Å; E252-K255 PolarHBondContact OE2-NZ 3.38Å; E252-R256 WeakPolarHBondContact O-CB 3.4Å; E252-R256 PolarHBondContact O-N 3.02Å; E252-R256 VanDerWaalsContact O-N 3.08Å
253	I	88.5	Confident	80.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-51.3	168	-60.7	164.3	0	0	0	109.7	L135 A138 L140 V164 E168 I249 V250 K255 R256 T257	L135-I253 HydrophobicContact CD2-CG2 4.48Å; A138-I253 HydrophobicContact CB-CG2 4.18Å; L140-I253 HydrophobicContact CD1-CB 4.28Å; L140-I253 HydrophobicContact CD1-CD1 4.3Å; L140-I253 HydrophobicContact CD1-CG2 3.72Å; L140-I253 HydrophobicContact CD2-CD1 3.84Å; L140-I253 HydrophobicContact CG-CD1 4.21Å; L140-I253 HydrophobicContact CG-CG2 4.35Å; V164-I253 HydrophobicContact CG1-CD1 3.75Å; E168-I253 HydrophobicContact CG-CD1 3.9Å; E168-I253 HydrophobicContact CG-CG1 3.9Å; I249-I253 HydrophobicContact CG2-CD1 4.13Å; I249-I253 WeakPolarHBondContact O-CG1 3.38Å; I249-I253 PolarHBondContact O-N 3.37Å; V250-I253 PolarHBondContact O-N 3.09Å; I253-K255 VanDerWaalsContact C-N 3.29Å; I253-K255 PolarHBondContact O-N 3.37Å; I253-R256 PolarHBondContact O-N 3.29Å; I253-T257 HydrophobicContact CG2-CG2 4.11Å; I253-T257 PolarHBondContact O-N 2.72Å; I253-T257 PolarHBondContact O-OG1 3.36Å
254	L	88.1	Confident	78.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-36.7	179.6	-72.9	167.4	0	0	0	113	Y64 L66 Y131 L135 I158 V250 Y251 T257 I268	Y64-L254 HydrophobicContact CD1-CD1 3.7Å; Y64-L254 HydrophobicContact CE1-CD1 3.84Å; Y64-L254 HydrophobicContact CG-CD1 4.15Å; L66-L254 HydrophobicContact CD1-CD2 4.42Å; L66-L254 HydrophobicContact CD2-CD1 4.48Å; Y131-L254 HydrophobicContact CE1-CD2 4.09Å; Y131-L254 WeakPolarHBondContact OH-CA 3.4Å; Y131-L254 VanDerWaalsContact OH-CD2 3.28Å; Y131-L254 WeakPolarHBondContact OH-CD2 3.24Å; Y131-L254 PolarHBondContact OH-O 3.49Å; L135-L254 HydrophobicContact CD1-CD2 3.83Å; L135-L254 HydrophobicContact CD2-CD2 3.71Å; L135-L254 HydrophobicContact CG-CD2 4.45Å; I158-L254 HydrophobicContact CD1-CD1 4.32Å; I158-L254 HydrophobicContact CD1-CD2 4.02Å; V250-L254 HydrophobicContact CG1-CD1 4.02Å; V250-L254 HydrophobicContact CG1-CG 4.35Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.24Å; V250-L254 PolarHBondContact O-N 3.08Å; Y251-L254 PolarHBondContact O-N 3.04Å; L254-T257 WeakPolarHBondContact CA-OG1 3.22Å; L254-T257 PolarHBondContact O-OG1 2.97Å; L254-I268 HydrophobicContact CB-CG2 4.29Å; L254-I268 WeakPolarHBondContact O-CG2 3.14Å
255	K	81.4	Confident	77.1	Confident	63 Å²	63	48.6 Å²	48.6	27%	0.274	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-43.8	173	-80.4	167.4	164.1	174.2	0	112.8	Y251 E252 I253 I268	Y251-K255 HydrophobicContact CD1-CD 4.24Å; Y251-K255 HydrophobicContact CE1-CD 4.06Å; Y251-K255 PolarHBondContact O-N 3.29Å; E252-K255 PolarHBondContact O-N 2.92Å; E252-K255 IonicContact OE1-NZ 2.7Å; E252-K255 PolarHBondContact OE1-NZ 3.3Å; E252-K255 VanDerWaalsContact OE2-CD 3.24Å; E252-K255 WeakPolarHBondContact OE2-CD 3.41Å; E252-K255 IonicContact OE2-NZ 2.86Å; E252-K255 PolarHBondContact OE2-NZ 3.38Å; I253-K255 VanDerWaalsContact C-N 3.29Å; I253-K255 PolarHBondContact O-N 3.37Å; K255-I268 HydrophobicContact CG-CG2 4.5Å
256	R	80.1	Confident	76	Confident	85 Å²	85	48.7 Å²	48.7	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-76.7	-30.5	-173.5	-168.6	178.7	68.1	-157.1	-4.5	112.4	E168 E252 I253	E168-R256 IonicContact OE1-CZ 3.89Å; E168-R256 IonicContact OE1-NH1 3.24Å; E168-R256 IonicContact OE1-NH2 3.21Å; E168-R256 PolarHBondContact OE1-NH2 2.96Å; E168-R256 IonicContact OE2-CZ 2.7Å; E168-R256 VanDerWaalsContact OE2-CZ 3.24Å; E168-R256 IonicContact OE2-NH1 3.23Å; E168-R256 PolarHBondContact OE2-NH1 3.08Å; E168-R256 IonicContact OE2-NH2 3.65Å; E168-R256 PolarHBondContact OE2-NH2 3.18Å; E252-R256 WeakPolarHBondContact O-CB 3.4Å; E252-R256 PolarHBondContact O-N 3.02Å; E252-R256 VanDerWaalsContact O-N 3.08Å; I253-R256 PolarHBondContact O-N 3.29Å
257	T	83.4	Confident	75.2	Confident	18 Å²	18	48.5 Å²	48.5	11%	0.11	24%	0.241	C	C	.	.			trans	-69.4	131.2	173.8	45.5	0	0	0	0	111.2	Y131 L135 A138 I253 L254	Y131-T257 PolarHBondContact OH-OG1 3.01Å; L135-T257 HydrophobicContact CD2-CG2 3.96Å; A138-T257 HydrophobicContact CB-CG2 4.17Å; I253-T257 HydrophobicContact CG2-CG2 4.11Å; I253-T257 PolarHBondContact O-N 2.72Å; I253-T257 PolarHBondContact O-OG1 3.36Å; L254-T257 WeakPolarHBondContact CA-OG1 3.22Å; L254-T257 PolarHBondContact O-OG1 2.97Å
258	T	77.6	Confident	74.8	Confident	53 Å²	53	48.4 Å²	48.4	33%	0.325	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.5	178.4	56.2	0	0	0	0	110.8	N134 M266	N134-T258 PolarHBondContact ND2-O 2.78Å; T258-M266 CarbonylContact C-O 3.54Å; T258-M266 VanDerWaalsContact CA-O 3.32Å; T258-M266 WeakPolarHBondContact CA-O 3.44Å
259	C	70.7	Confident	74.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.1	162.4	-56.8	0	0	0	0	108.8	E130 A262 S265 M266	E130-C259 WeakPolarHBondContact OE1-CA 3.38Å; C259-A262 HydrophobicContact CB-CB 4.13Å; C259-S265 WeakPolarHBondContact O-CA 3.33Å; C259-M266 HydrophobicContact CB-CB 4.45Å; C259-M266 PolarHBondContact N-O 3.2Å
260	T	64.9	Low	73.8	Confident	101 Å²	101	52 Å²	52	62%	0.62	26%	0.263	S	S	*	.	S	Bend	trans	-121.3	-19.6	-176.6	58	0	0	0	0	113.7	E130	E130-T260 PolarHBondContact OE1-N 3.08Å
261	K	55.2	Low	73.4	Confident	153 Å²	153	52 Å²	52	67%	0.665	26%	0.263	S	S	*	.	S	Bend	trans	-89.8	-27.8	177.3	-61.3	170.3	-176.1	160.5	0	111.6	E130	E130-K261 HydrophobicContact CG-CD 4.42Å; E130-K261 PolarHBondContact OE1-N 3.15Å
262	A	53.4	Low	73.1	Confident	18 Å²	18	52.2 Å²	52.2	15%	0.149	27%	0.268	C	S	.	.	S	Bend	trans	-51.6	146.9	159.3	0	0	0	0	0	110.6	E130 C259 Y264	E130-A262 PolarHBondContact OE2-N 3.09Å; C259-A262 HydrophobicContact CB-CB 4.13Å; A262-Y264 PolarHBondContact O-N 3.2Å
263	K	48.8	Very low	72.8	Confident	183 Å²	183	54 Å²	54	80%	0.796	29%	0.291	S	S	*	.	S	Bend	trans	-59.1	-11.7	-175.1	-156	171.4	-172.9	172.5	0	114.4
264	Y	56.5	Low	72.4	Confident	98 Å²	98	57.8 Å²	57.8	38%	0.384	31%	0.311	S	S	.	.	S	Bend	trans	-145.6	145.9	-178.1	-44.6	-63.4	0	0	0	109.3	A262 M266 L463	A262-Y264 PolarHBondContact O-N 3.2Å; Y264-M266 HydrophobicContact CD2-CE 4.41Å; Y264-M266 PolarHBondContact O-N 2.87Å; Y264-L463 HydrophobicContact CD1-CD1 4.22Å; Y264-L463 HydrophobicContact CD1-CD2 3.41Å; Y264-L463 VanDerWaalsContact CD1-CD2 3.41Å; Y264-L463 HydrophobicContact CD1-CG 4.31Å; Y264-L463 HydrophobicContact CE1-CD2 3.96Å; Y264-L463 HydrophobicContact CG-CD2 3.83Å
265	S	57	Low	72.1	Confident	77 Å²	77	59.8 Å²	59.8	54%	0.538	33%	0.332	S	S	.	.			trans	-67	121.9	174.8	50.9	0	0	0	0	111.3	C259	C259-S265 WeakPolarHBondContact O-CA 3.33Å
266	M	63.3	Low	72.3	Confident	22 Å²	22	56.9 Å²	56.9	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.9	178.6	-66	-173.2	-176.3	0	0	110.6	T258 C259 Y264 L271	T258-M266 CarbonylContact C-O 3.54Å; T258-M266 VanDerWaalsContact CA-O 3.32Å; T258-M266 WeakPolarHBondContact CA-O 3.44Å; C259-M266 HydrophobicContact CB-CB 4.45Å; C259-M266 PolarHBondContact N-O 3.2Å; Y264-M266 HydrophobicContact CD2-CE 4.41Å; Y264-M266 PolarHBondContact O-N 2.87Å; M266-L271 HydrophobicContact CB-CD2 4.3Å; M266-L271 HydrophobicContact SD-CD2 4.5Å
267	G	74.5	Confident	72.8	Confident	15 Å²	15	53 Å²	53	16%	0.155	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	174.8	166.9	0	0	0	0	0	112.6	T269 S270 L271	G267-T269 VanDerWaalsContact C-N 3.25Å; G267-T269 PolarHBondContact O-N 2.92Å; G267-T269 VanDerWaalsContact O-N 3.09Å; G267-S270 WeakPolarHBondContact O-CB 3.49Å; G267-S270 PolarHBondContact O-N 3.41Å; G267-L271 PolarHBondContact O-N 2.93Å
268	I	81.8	Confident	72.9	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-51.3	-38.6	-174.3	-169.5	57.6	0	0	0	114.3	L66 Y131 L254 K255 S270 L271 L272 Y277	L66-I268 HydrophobicContact CD2-CD1 4.23Å; Y131-I268 HydrophobicContact CE1-CD1 4.04Å; L254-I268 HydrophobicContact CB-CG2 4.29Å; L254-I268 WeakPolarHBondContact O-CG2 3.14Å; K255-I268 HydrophobicContact CG-CG2 4.5Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.36Å; I268-L271 PolarHBondContact O-N 3Å; I268-L271 VanDerWaalsContact O-N 3.16Å; I268-L272 HydrophobicContact CD1-CG 4.47Å; I268-L272 HydrophobicContact CG1-CD1 4.11Å; I268-L272 HydrophobicContact CG1-CG 4.46Å; I268-L272 WeakPolarHBondContact O-CG 3.49Å; I268-L272 PolarHBondContact O-N 3.37Å; I268-Y277 HydrophobicContact CD1-CD2 3.85Å; I268-Y277 HydrophobicContact CD1-CE2 4.22Å
269	T	79.6	Confident	73.5	Confident	73 Å²	73	52.3 Å²	52.3	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-34.1	178.8	-47.4	0	0	0	0	112.3	G267 A273	G267-T269 VanDerWaalsContact C-N 3.25Å; G267-T269 PolarHBondContact O-N 2.92Å; G267-T269 VanDerWaalsContact O-N 3.09Å; T269-A273 VanDerWaalsContact O-CB 3.31Å; T269-A273 WeakPolarHBondContact O-CB 3.36Å; T269-A273 PolarHBondContact O-N 2.84Å; T269-A273 VanDerWaalsContact O-N 3.09Å
270	S	77.7	Confident	74.5	Confident	24 Å²	24	53.5 Å²	53.5	17%	0.168	32%	0.316	C	S	.	.	H	α-helix	trans	-75.1	-37.5	174.4	-169.9	0	0	0	0	111.6	G267 I268 A273 N274	G267-S270 WeakPolarHBondContact O-CB 3.49Å; G267-S270 PolarHBondContact O-N 3.41Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.36Å; S270-A273 PolarHBondContact O-N 3.45Å; S270-N274 VanDerWaalsContact O-CB 3.3Å; S270-N274 WeakPolarHBondContact O-CB 3.23Å; S270-N274 PolarHBondContact O-N 3.28Å; S270-N274 PolarHBondContact O-ND2 3.35Å; S270-N274 VanDerWaalsContact O-ND2 3.13Å; S270-N274 PolarHBondContact OG-ND2 3.24Å
271	L	83.4	Confident	75.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.3	-39.2	176.8	-62.9	176.6	0	0	0	112.2	Y131 M266 G267 I268 G275 V276 Y277	Y131-L271 HydrophobicContact CD1-CD1 3.91Å; Y131-L271 HydrophobicContact CD2-CD1 3.49Å; Y131-L271 VanDerWaalsContact CD2-CD1 3.49Å; Y131-L271 HydrophobicContact CE1-CD1 4.29Å; Y131-L271 HydrophobicContact CE2-CD1 3.92Å; Y131-L271 HydrophobicContact CG-CD1 3.49Å; Y131-L271 VanDerWaalsContact CG-CD1 3.49Å; M266-L271 HydrophobicContact CB-CD2 4.3Å; M266-L271 HydrophobicContact SD-CD2 4.5Å; G267-L271 PolarHBondContact O-N 2.93Å; I268-L271 PolarHBondContact O-N 3Å; I268-L271 VanDerWaalsContact O-N 3.16Å; L271-G275 PolarHBondContact O-N 2.9Å; L271-V276 HydrophobicContact CB-CB 4.2Å; L271-V276 HydrophobicContact CD2-CB 4.24Å; L271-V276 HydrophobicContact CD2-CG1 4.25Å; L271-V276 HydrophobicContact CD2-CG2 4.11Å; L271-V276 WeakPolarHBondContact O-CB 3.43Å; L271-V276 PolarHBondContact O-N 3.16Å; L271-Y277 HydrophobicContact CB-CD2 4.06Å; L271-Y277 HydrophobicContact CD1-CD2 4.4Å; L271-Y277 HydrophobicContact CD1-CE2 4.12Å; L271-Y277 PolarHBondContact O-N 3.24Å
272	L	84.4	Confident	77.6	Confident	64 Å²	64	42 Å²	42	34%	0.335	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-46.9	171.4	-71.1	165.4	0	0	0	111.6	I268 N274 G275 A280	I268-L272 HydrophobicContact CD1-CG 4.47Å; I268-L272 HydrophobicContact CG1-CD1 4.11Å; I268-L272 HydrophobicContact CG1-CG 4.46Å; I268-L272 WeakPolarHBondContact O-CG 3.49Å; I268-L272 PolarHBondContact O-N 3.37Å; L272-N274 VanDerWaalsContact C-N 3.28Å; L272-N274 PolarHBondContact O-N 3.36Å; L272-G275 PolarHBondContact O-N 3.19Å; L272-G275 VanDerWaalsContact O-N 3.09Å; L272-A280 HydrophobicContact CD1-CB 4.12Å; L272-A280 HydrophobicContact CD2-CB 4.17Å
273	A	78.3	Confident	79.3	Confident	83 Å²	83	41.5 Å²	41.5	69%	0.686	25%	0.252	S	S	*	.	H	α-helix	trans	-63.9	-31.5	179.6	0	0	0	0	0	113.5	T269 S270 G275	T269-A273 VanDerWaalsContact O-CB 3.31Å; T269-A273 WeakPolarHBondContact O-CB 3.36Å; T269-A273 PolarHBondContact O-N 2.84Å; T269-A273 VanDerWaalsContact O-N 3.09Å; S270-A273 PolarHBondContact O-N 3.45Å; A273-G275 VanDerWaalsContact C-N 3.33Å
274	N	79.3	Confident	81.2	Confident	80 Å²	80	32.8 Å²	32.8	43%	0.428	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.1	176.2	-67.9	-29.5	0	0	0	113.5	S270 L272 V276	S270-N274 VanDerWaalsContact O-CB 3.3Å; S270-N274 WeakPolarHBondContact O-CB 3.23Å; S270-N274 PolarHBondContact O-N 3.28Å; S270-N274 PolarHBondContact O-ND2 3.35Å; S270-N274 VanDerWaalsContact O-ND2 3.13Å; S270-N274 PolarHBondContact OG-ND2 3.24Å; L272-N274 VanDerWaalsContact C-N 3.28Å; L272-N274 PolarHBondContact O-N 3.36Å; N274-V276 VanDerWaalsContact C-N 3.31Å; N274-V276 HydrophobicContact CB-CG2 4.18Å; N274-V276 PolarHBondContact O-N 2.84Å
275	G	82.5	Confident	82.4	Confident	43 Å²	43	29.5 Å²	29.5	44%	0.443	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	26.1	-179.4	0	0	0	0	0	114.7	L271 L272 A273	L271-G275 PolarHBondContact O-N 2.9Å; L272-G275 PolarHBondContact O-N 3.19Å; L272-G275 VanDerWaalsContact O-N 3.09Å; A273-G275 VanDerWaalsContact C-N 3.33Å
276	V	85.9	Confident	83.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	18%	0.182	C	C	.	.	S	Bend	trans	-75	-42.9	173.1	179.7	0	0	0	0	110.1	K124 R127 R128 L271 N274	K124-V276 HydrophobicContact CG-CG2 4.27Å; R127-V276 HydrophobicContact CB-CG1 4.44Å; R128-V276 HydrophobicContact CG-CG1 3.44Å; R128-V276 VanDerWaalsContact CG-CG1 3.44Å; R128-V276 PolarHBondContact NH1-O 3.46Å; R128-V276 VanDerWaalsContact NH1-O 3.15Å; L271-V276 HydrophobicContact CB-CB 4.2Å; L271-V276 HydrophobicContact CD2-CB 4.24Å; L271-V276 HydrophobicContact CD2-CG1 4.25Å; L271-V276 HydrophobicContact CD2-CG2 4.11Å; L271-V276 WeakPolarHBondContact O-CB 3.43Å; L271-V276 PolarHBondContact O-N 3.16Å; N274-V276 VanDerWaalsContact C-N 3.31Å; N274-V276 HydrophobicContact CB-CG2 4.18Å; N274-V276 PolarHBondContact O-N 2.84Å
277	Y	89.6	Confident	84.4	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.008	19%	0.19	C	C	.	.	S	Bend	trans	-110.1	145.8	162.6	-68.2	-69.7	0	0	0	109.3	L66 V67 Y68 R128 Y131 E132 I268 L271	L66-Y277 HydrophobicContact CB-CD1 3.99Å; L66-Y277 HydrophobicContact CB-CE1 3.96Å; L66-Y277 HydrophobicContact CD1-CE1 4.03Å; L66-Y277 HydrophobicContact CD1-CE2 4.24Å; V67-Y277 CarbonylContact O-C 3.49Å; V67-Y277 WeakPolarHBondContact O-CA 3.41Å; Y68-Y277 HydrophobicContact CD1-CE1 4.35Å; R128-Y277 HydrophobicContact CG-CE1 4.06Å; R128-Y277 HydrophobicContact CG-CE2 4.36Å; Y131-Y277 AromaticContact CD1-CE2 3.81Å; Y131-Y277 HydrophobicContact CD1-CE2 3.81Å; Y131-Y277 HydrophobicContact CE1-CE2 4.21Å; E132-Y277 WeakPolarHBondContact CG-OH 3.36Å; E132-Y277 PolarHBondContact OE1-OH 2.69Å; I268-Y277 HydrophobicContact CD1-CD2 3.85Å; I268-Y277 HydrophobicContact CD1-CE2 4.22Å; L271-Y277 HydrophobicContact CB-CD2 4.06Å; L271-Y277 HydrophobicContact CD1-CD2 4.4Å; L271-Y277 HydrophobicContact CD1-CE2 4.12Å; L271-Y277 PolarHBondContact O-N 3.24Å
278	A	87.1	Confident	84.5	Confident	48 Å²	48	29.5 Å²	29.5	40%	0.397	19%	0.193	S	C	.	.	S	Bend	trans	-89.4	-34.1	177.5	0	0	0	0	0	112.6	V67	V67-A278 PolarHBondContact O-N 2.96Å
279	A	88.8	Confident	84	Confident	10 Å²	10	35.3 Å²	35.3	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.3	178	0	0	0	0	0	111.7	V67 Y281 Y717	V67-A279 HydrophobicContact CB-CB 4.22Å; V67-A279 HydrophobicContact CG2-CB 4.26Å; V67-A279 PolarHBondContact N-O 3.13Å; V67-A279 PolarHBondContact O-N 2.94Å; A279-Y281 HydrophobicContact CB-CD1 3.97Å; A279-Y281 HydrophobicContact CB-CE1 3.96Å; A279-Y717 HydrophobicContact CB-CE2 4.21Å
280	A	91.6	Very high	83.2	Confident	24 Å²	24	33.8 Å²	33.8	20%	0.198	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	112.7	176.4	0	0	0	0	0	108.7	Y64 I65 L66 L272	Y64-A280 VanDerWaalsContact CE1-C 3.46Å; Y64-A280 HydrophobicContact CE1-CB 3.99Å; Y64-A280 PolarHBondContact OH-O 2.72Å; I65-A280 WeakPolarHBondContact O-CA 3.46Å; L66-A280 HydrophobicContact CD2-CB 3.55Å; L272-A280 HydrophobicContact CD1-CB 4.12Å; L272-A280 HydrophobicContact CD2-CB 4.17Å
281	Y	92.3	Very high	82.2	Confident	10 Å²	10	41.5 Å²	41.5	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.6	-173.2	55.9	-84.3	0	0	0	113.5	I65 V67 A279 L283 Y713 D716 Y717	I65-Y281 HydrophobicContact CB-CE2 4.4Å; I65-Y281 HydrophobicContact CG2-CE1 4.28Å; I65-Y281 HydrophobicContact CG2-CE2 4.5Å; I65-Y281 PolarHBondContact N-O 2.99Å; I65-Y281 PolarHBondContact O-N 3.13Å; V67-Y281 HydrophobicContact CG2-CE1 3.72Å; A279-Y281 HydrophobicContact CB-CD1 3.97Å; A279-Y281 HydrophobicContact CB-CE1 3.96Å; Y281-L283 HydrophobicContact CE2-CD2 4.2Å; Y281-Y713 PolarHBondContact OH-O 3.38Å; Y281-Y713 VanDerWaalsContact OH-O 3.07Å; Y281-D716 HydrophobicContact CE2-CB 3.91Å; Y281-Y717 HydrophobicContact CE1-CD2 4.15Å; Y281-Y717 WeakPolarHBondContact OH-CB 3.34Å; Y281-Y717 PolarHBondContact OH-N 2.91Å
282	P	92.9	Very high	81.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.013	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-78.2	156.9	168.8	33.9	-34.1	0	0	0	111.2	Y64 R774 V776	Y64-P282 HydrophobicContact CD2-CB 4.15Å; Y64-P282 HydrophobicContact CE2-CB 4.17Å; Y64-P282 HydrophobicContact CE2-CG 4.35Å; P282-R774 WeakPolarHBondContact CD-O 3.49Å; P282-R774 HydrophobicContact CG-CB 4.26Å; P282-R774 HydrophobicContact CG-CG 4.19Å; P282-R774 WeakPolarHBondContact CG-O 3.38Å; P282-V776 HydrophobicContact CG-CG2 4.28Å
283	L	89.8	Confident	80.2	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.047	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-88.4	152.9	-179.9	-69.8	172.5	0	0	0	113.2	V62 I65 Y281 D716 R774	V62-L283 HydrophobicContact CB-CD1 3.99Å; V62-L283 HydrophobicContact CG1-CD1 3.7Å; I65-L283 HydrophobicContact CD1-CD1 4.19Å; I65-L283 HydrophobicContact CG1-CD1 3.91Å; I65-L283 HydrophobicContact CG1-CD2 3.9Å; I65-L283 HydrophobicContact CG1-CG 3.81Å; Y281-L283 HydrophobicContact CE2-CD2 4.2Å; L283-D716 HydrophobicContact CD2-CB 4.2Å; L283-D716 WeakPolarHBondContact CD2-OD2 3.37Å; L283-R774 WeakPolarHBondContact O-CD 3.38Å; L283-R774 PolarHBondContact O-NH1 3.17Å
284	H	89.8	Confident	79.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-74.9	135.4	163.1	-71.4	-83.1	0	0	0	110.7	L53 G286 R298 Y323 D716 L772 R774	L53-H284 WeakPolarHBondContact CD2-O 3.28Å; H284-G286 PolarHBondContact O-N 3.32Å; H284-R298 VanDerWaalsContact CB-NH1 3.29Å; H284-R298 VanDerWaalsContact CG-NH1 3.29Å; H284-Y323 AromaticContact ND1-CE1 3.87Å; H284-Y323 AromaticContact ND1-CZ 3.82Å; H284-Y323 PolarHBondContact ND1-OH 3.21Å; H284-D716 IonicContact CD2-OD1 3.73Å; H284-D716 IonicContact CD2-OD2 2.68Å; H284-D716 PolarHBondContact CD2-OD2 3.11Å; H284-D716 IonicContact CG-OD2 2.65Å; H284-D716 PolarHBondContact N-OD2 2.96Å; H284-L772 PolarHBondContact NE2-O 2.98Å; H284-R774 PolarHBondContact NE2-N 3.1Å
285	D	81.3	Confident	79.7	Confident	29 Å²	29	56.5 Å²	56.5	16%	0.155	31%	0.309	C	S	.	.	S	Bend	trans	-61.8	-2.6	-178.2	-65.9	-75.4	0	0	0	115.5	L53 K61 S243 N296 Y323 R774	L53-D285 VanDerWaalsContact CD1-O 3.3Å; L53-D285 WeakPolarHBondContact CD1-O 3.43Å; K61-D285 IonicContact NZ-OD1 2.75Å; K61-D285 PolarHBondContact NZ-OD1 3.37Å; S243-D285 WeakPolarHBondContact CB-OD1 3.39Å; S243-D285 PolarHBondContact OG-OD1 3.08Å; S243-D285 PolarHBondContact OG-OD2 3.19Å; D285-N296 WeakPolarHBondContact CB-OD1 3.47Å; D285-Y323 HydrophobicContact CB-CE2 4.49Å; D285-Y323 WeakPolarHBondContact OD2-CE2 3.46Å; D285-R774 IonicContact OD2-CZ 3.88Å; D285-R774 IonicContact OD2-NH1 3.46Å; D285-R774 PolarHBondContact OD2-NH1 2.79Å; D285-R774 IonicContact OD2-NH2 3.77Å
286	G	81.1	Confident	79.7	Confident	9 Å²	9	55.3 Å²	55.3	9%	0.093	29%	0.293	C	S	.	.	S	Bend	trans	162.4	-167.1	175	0	0	0	0	0	112.9	H284 N296 R298 R712	H284-G286 PolarHBondContact O-N 3.32Å; G286-N296 WeakPolarHBondContact CA-ND2 3.41Å; G286-N296 PolarHBondContact N-ND2 3.23Å; G286-R298 VanDerWaalsContact O-CD 3.28Å; G286-R298 WeakPolarHBondContact O-CD 3.31Å; G286-R298 PolarHBondContact O-NH1 3.36Å; G286-R712 PolarHBondContact O-NH2 3.11Å
287	D	79.9	Confident	79.7	Confident	51 Å²	51	56.9 Å²	56.9	27%	0.273	30%	0.301	S	S	.	.			trans	-80.7	162.2	176.6	-132	-44	0	0	0	113	V293 N296 R712	D287-V293 HydrophobicContact CB-CG1 4.45Å; D287-N296 PolarHBondContact O-ND2 2.92Å; D287-R712 IonicContact OD2-CZ 2.81Å; D287-R712 IonicContact OD2-NH1 2.7Å; D287-R712 PolarHBondContact OD2-NH1 2.84Å; D287-R712 IonicContact OD2-NH2 3.83Å
288	Y	77.4	Confident	79.7	Confident	53 Å²	53	57 Å²	57	21%	0.208	30%	0.302	C	S	.	.	S	Bend	trans	-105.2	-16	175.9	73.7	-90.1	0	0	0	112.8	Y302 T770	Y288-Y302 HydrophobicContact CD2-CD1 4.11Å; Y288-Y302 HydrophobicContact CD2-CD2 4.08Å; Y288-Y302 HydrophobicContact CD2-CE1 4.2Å; Y288-Y302 HydrophobicContact CD2-CE2 4.19Å; Y288-Y302 HydrophobicContact CD2-CG 4.06Å; Y288-Y302 HydrophobicContact CE2-CE2 4.47Å; Y288-T770 HydrophobicContact CD1-CG2 4.15Å; Y288-T770 HydrophobicContact CD2-CG2 3.81Å; Y288-T770 HydrophobicContact CE1-CG2 4.1Å; Y288-T770 HydrophobicContact CE2-CG2 3.78Å; Y288-T770 HydrophobicContact CG-CG2 4.05Å
289	E	70.5	Confident	79.7	Confident	126 Å²	126	56.4 Å²	56.4	59%	0.589	29%	0.29	S	S	*	.	S	Bend	trans	-128.1	132.5	-172.8	-163.8	162.1	-166.9	0	0	111
290	G	63.9	Low	79.7	Confident	40 Å²	40	57 Å²	57	41%	0.412	29%	0.291	S	S	.	.			trans	130.3	140.3	179.7	0	0	0	0	0	114	K299	G290-K299 PolarHBondContact O-NZ 3.47Å
291	E	57	Low	79.7	Confident	187 Å²	187	55.9 Å²	55.9	87%	0.874	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-44.4	-178.7	-64.7	178.7	159	0	0	111.5	V293	E291-V293 PolarHBondContact O-N 3.26Å
292	N	61.3	Low	79.6	Confident	170 Å²	170	57.3 Å²	57.3	91%	0.909	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	38	180	-60.5	-22.3	0	0	0	113.7
293	V	64.9	Low	79.4	Confident	38 Å²	38	61.7 Å²	61.7	23%	0.23	31%	0.308	C	S	.	.			trans	-109.7	126.6	179.2	-177.5	0	0	0	0	109.1	D287 E291	D287-V293 HydrophobicContact CB-CG1 4.45Å; E291-V293 PolarHBondContact O-N 3.26Å
294	E	69.8	Low	79.3	Confident	164 Å²	164	62.6 Å²	62.6	77%	0.766	31%	0.312	S	S	*	.			trans	-49.7	146.9	174.2	-67.8	-179.5	168.2	0	0	111.7	N296	E294-N296 PolarHBondContact O-N 2.85Å
295	F	75.9	Confident	79.3	Confident	170 Å²	170	62.6 Å²	62.6	75%	0.746	31%	0.312	S	S	*	.			trans	-61.3	124.7	-178.6	-176.5	-93.9	0	0	0	111	L300	F295-L300 HydrophobicContact CZ-CB 4.36Å; F295-L300 HydrophobicContact CZ-CD1 4.35Å; F295-L300 HydrophobicContact CZ-CD2 4.04Å; F295-L300 HydrophobicContact CZ-CG 4.48Å
296	N	83	Confident	79.6	Confident	17 Å²	17	61.2 Å²	61.2	9%	0.091	31%	0.305	C	S	.	.			trans	-144.6	138.7	-167.2	176.8	22.9	0	0	0	110.9	D285 G286 D287 E294 R298 K299 L300	D285-N296 WeakPolarHBondContact CB-OD1 3.47Å; G286-N296 WeakPolarHBondContact CA-ND2 3.41Å; G286-N296 PolarHBondContact N-ND2 3.23Å; D287-N296 PolarHBondContact O-ND2 2.92Å; E294-N296 PolarHBondContact O-N 2.85Å; N296-R298 PolarHBondContact O-N 3.12Å; N296-R298 VanDerWaalsContact O-N 3.1Å; N296-K299 PolarHBondContact O-N 2.86Å; N296-L300 PolarHBondContact O-N 3.08Å
297	D	86.1	Confident	79.9	Confident	35 Å²	35	62.3 Å²	62.3	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-54.2	-33.4	-179.2	-77.5	-5.2	0	0	0	112.2	L301 K322 Y323	D297-L301 WeakPolarHBondContact O-CB 3.41Å; D297-L301 WeakPolarHBondContact O-CG 3.43Å; D297-L301 PolarHBondContact O-N 2.94Å; D297-K322 IonicContact OD1-NZ 3.58Å; D297-K322 IonicContact OD2-NZ 3.72Å; D297-K322 PolarHBondContact OD2-NZ 2.65Å; D297-Y323 HydrophobicContact CB-CD2 3.86Å; D297-Y323 HydrophobicContact CB-CE2 4.24Å
298	R	89	Confident	80.2	Confident	6 Å²	6	64.9 Å²	64.9	2%	0.023	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-41.8	175.4	-165.9	-170.8	-173.1	162.4	8	112.9	H284 G286 N296 Y302 Y323 V769	H284-R298 VanDerWaalsContact CB-NH1 3.29Å; H284-R298 VanDerWaalsContact CG-NH1 3.29Å; G286-R298 VanDerWaalsContact O-CD 3.28Å; G286-R298 WeakPolarHBondContact O-CD 3.31Å; G286-R298 PolarHBondContact O-NH1 3.36Å; N296-R298 PolarHBondContact O-N 3.12Å; N296-R298 VanDerWaalsContact O-N 3.1Å; R298-Y302 PolarHBondContact O-N 2.9Å; R298-Y323 HydrophobicContact CB-CE2 4.34Å; R298-V769 HydrophobicContact CG-CG1 4.14Å; R298-V769 VanDerWaalsContact CZ-O 3.3Å; R298-V769 PolarHBondContact NE-O 3.12Å; R298-V769 PolarHBondContact NH2-O 3.05Å
299	K	88.3	Confident	80.6	Confident	34 Å²	34	65.2 Å²	65.2	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-43.1	179.9	-179.3	171.2	172.8	176.4	0	110.3	G290 N296 L301 Y302 E303	G290-K299 PolarHBondContact O-NZ 3.47Å; N296-K299 PolarHBondContact O-N 2.86Å; K299-L301 PolarHBondContact O-N 3.28Å; K299-Y302 WeakPolarHBondContact O-CB 3.24Å; K299-Y302 PolarHBondContact O-N 3.41Å; K299-Y302 VanDerWaalsContact O-N 3.08Å; K299-E303 WeakPolarHBondContact CE-OE1 3.36Å; K299-E303 WeakPolarHBondContact CG-OE1 3.39Å; K299-E303 PolarHBondContact O-N 3.48Å
300	L	88.8	Confident	81.4	Confident	22 Å²	22	60.1 Å²	60.1	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-58.6	-44.5	173	-178.4	65.3	0	0	0	112.3	F295 N296 Y302 E303 E304 L319	F295-L300 HydrophobicContact CZ-CB 4.36Å; F295-L300 HydrophobicContact CZ-CD1 4.35Å; F295-L300 HydrophobicContact CZ-CD2 4.04Å; F295-L300 HydrophobicContact CZ-CG 4.48Å; N296-L300 PolarHBondContact O-N 3.08Å; L300-Y302 VanDerWaalsContact C-N 3.3Å; L300-Y302 PolarHBondContact O-N 3.34Å; L300-E303 PolarHBondContact O-N 3Å; L300-E304 HydrophobicContact CD1-CG 4.15Å; L300-E304 PolarHBondContact O-N 3.45Å; L300-L319 HydrophobicContact CD2-CD1 4.48Å; L300-L319 HydrophobicContact CD2-CD2 3.64Å; L300-L319 HydrophobicContact CG-CD2 3.93Å
301	L	90.8	Very high	82.4	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-32.9	174.4	-80.1	168.2	0	0	0	112.9	D297 K299 W305 A306 L319 V320 Y323 F324 V769	D297-L301 WeakPolarHBondContact O-CB 3.41Å; D297-L301 WeakPolarHBondContact O-CG 3.43Å; D297-L301 PolarHBondContact O-N 2.94Å; K299-L301 PolarHBondContact O-N 3.28Å; L301-W305 HydrophobicContact CD2-CE3 3.9Å; L301-W305 HydrophobicContact CD2-CZ3 4.4Å; L301-W305 WeakPolarHBondContact O-CB 3.22Å; L301-W305 PolarHBondContact O-N 2.61Å; L301-A306 PolarHBondContact O-N 2.85Å; L301-L319 HydrophobicContact CD2-CB 4.39Å; L301-L319 HydrophobicContact CD2-CD2 3.75Å; L301-L319 HydrophobicContact CD2-CG 3.82Å; L301-L319 HydrophobicContact CG-CD2 3.87Å; L301-L319 HydrophobicContact CG-CG 4Å; L301-V320 HydrophobicContact CD2-CG2 3.8Å; L301-Y323 HydrophobicContact CD1-CD1 3.89Å; L301-Y323 HydrophobicContact CD1-CD2 4.33Å; L301-Y323 HydrophobicContact CD1-CG 3.68Å; L301-F324 HydrophobicContact CD1-CE2 4.21Å; L301-V769 HydrophobicContact CB-CG2 4.33Å
302	Y	90.3	Very high	83.7	Confident	40 Å²	40	61.1 Å²	61.1	16%	0.157	30%	0.302	C	S	.	.	I	π-helix	trans	-68.3	-52.8	175	-171.7	-108.9	0	0	0	111.4	Y288 R298 K299 L300 A306 C307 K766 V769 T770	Y288-Y302 HydrophobicContact CD2-CD1 4.11Å; Y288-Y302 HydrophobicContact CD2-CD2 4.08Å; Y288-Y302 HydrophobicContact CD2-CE1 4.2Å; Y288-Y302 HydrophobicContact CD2-CE2 4.19Å; Y288-Y302 HydrophobicContact CD2-CG 4.06Å; Y288-Y302 HydrophobicContact CE2-CE2 4.47Å; R298-Y302 PolarHBondContact O-N 2.9Å; K299-Y302 WeakPolarHBondContact O-CB 3.24Å; K299-Y302 PolarHBondContact O-N 3.41Å; K299-Y302 VanDerWaalsContact O-N 3.08Å; L300-Y302 VanDerWaalsContact C-N 3.3Å; L300-Y302 PolarHBondContact O-N 3.34Å; Y302-A306 HydrophobicContact CD2-CB 4.02Å; Y302-A306 PolarHBondContact O-N 2.9Å; Y302-C307 PolarHBondContact O-N 3.4Å; Y302-C307 VanDerWaalsContact O-N 3.14Å; Y302-C307 PolarHBondContact O-SG 3.08Å; Y302-C307 VanDerWaalsContact O-SG 3.34Å; Y302-K766 PolarHBondContact OH-NZ 3.3Å; Y302-K766 VanDerWaalsContact OH-NZ 3.11Å; Y302-V769 HydrophobicContact CD2-CG1 4.03Å; Y302-V769 HydrophobicContact CG-CG1 4.48Å; Y302-T770 HydrophobicContact CD2-CG2 3.8Å; Y302-T770 HydrophobicContact CE2-CG2 3.66Å
303	E	88.1	Confident	84.8	Confident	95 Å²	95	54.2 Å²	54.2	44%	0.444	26%	0.264	S	S	.	.	I	π-helix	trans	-65.8	-46.2	-175.2	-70	173.7	-172.7	0	0	113.2	K299 L300	K299-E303 WeakPolarHBondContact CE-OE1 3.36Å; K299-E303 WeakPolarHBondContact CG-OE1 3.39Å; K299-E303 PolarHBondContact O-N 3.48Å; L300-E303 PolarHBondContact O-N 3Å
304	E	87.3	Confident	85.7	Confident	28 Å²	28	57.9 Å²	57.9	13%	0.131	27%	0.274	C	S	.	.	I	π-helix	trans	-91.3	-11.6	-174.5	-74.8	-69.6	122.4	0	0	114.7	P207 K208 L300 V310 K313	P207-E304 VanDerWaalsContact CA-OE2 3.32Å; P207-E304 WeakPolarHBondContact CA-OE2 3.41Å; K208-E304 PolarHBondContact N-OE2 2.87Å; L300-E304 HydrophobicContact CD1-CG 4.15Å; L300-E304 PolarHBondContact O-N 3.45Å; E304-V310 WeakPolarHBondContact O-CG1 3.36Å; E304-K313 IonicContact OE1-NZ 2.81Å; E304-K313 PolarHBondContact OE1-NZ 2.83Å; E304-K313 IonicContact OE2-NZ 3.45Å; E304-K313 PolarHBondContact OE2-NZ 2.67Å
305	W	90.5	Very high	86.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-136.5	-49.6	-173.6	176.4	59.5	0	0	0	115.5	L301 C307 P316 V320 F324 F332 R762 A765 V769	L301-W305 HydrophobicContact CD2-CE3 3.9Å; L301-W305 HydrophobicContact CD2-CZ3 4.4Å; L301-W305 WeakPolarHBondContact O-CB 3.22Å; L301-W305 PolarHBondContact O-N 2.61Å; W305-C307 VanDerWaalsContact C-N 3.34Å; W305-C307 PolarHBondContact O-N 2.91Å; W305-P316 HydrophobicContact CB-CG 3.84Å; W305-P316 HydrophobicContact CG-CG 4.15Å; W305-V320 HydrophobicContact CD2-CG2 4.02Å; W305-V320 HydrophobicContact CE3-CG2 3.93Å; W305-V320 HydrophobicContact CH2-CG1 4.04Å; W305-V320 HydrophobicContact CH2-CG2 3.81Å; W305-V320 HydrophobicContact CZ2-CG1 4.45Å; W305-V320 HydrophobicContact CZ2-CG2 3.88Å; W305-V320 HydrophobicContact CZ3-CG2 3.83Å; W305-F324 HydrophobicContact CZ3-CE2 4.27Å; W305-F332 HydrophobicContact CH2-CD1 4.41Å; W305-F332 AromaticContact CH2-CD2 3.88Å; W305-F332 HydrophobicContact CH2-CD2 3.88Å; W305-F332 HydrophobicContact CH2-CE1 4.1Å; W305-F332 AromaticContact CH2-CE2 3.55Å; W305-F332 HydrophobicContact CH2-CE2 3.55Å; W305-F332 HydrophobicContact CH2-CG 4.29Å; W305-F332 AromaticContact CH2-CZ 3.66Å; W305-F332 HydrophobicContact CH2-CZ 3.66Å; W305-F332 HydrophobicContact CZ2-CB 4.48Å; W305-F332 AromaticContact CZ2-CD1 3.62Å; W305-F332 HydrophobicContact CZ2-CD1 3.62Å; W305-F332 AromaticContact CZ2-CD2 3.76Å; W305-F332 HydrophobicContact CZ2-CD2 3.76Å; W305-F332 AromaticContact CZ2-CE1 3.6Å; W305-F332 HydrophobicContact CZ2-CE1 3.6Å; W305-F332 AromaticContact CZ2-CE2 3.75Å; W305-F332 HydrophobicContact CZ2-CE2 3.75Å; W305-F332 AromaticContact CZ2-CG 3.68Å; W305-F332 HydrophobicContact CZ2-CG 3.68Å; W305-F332 AromaticContact CZ2-CZ 3.66Å; W305-F332 HydrophobicContact CZ2-CZ 3.66Å; W305-R762 VanDerWaalsContact O-CD 3.3Å; W305-R762 WeakPolarHBondContact O-CD 3.39Å; W305-R762 PolarHBondContact O-NH1 2.96Å; W305-A765 HydrophobicContact CD2-CB 3.64Å; W305-A765 VanDerWaalsContact CE2-CB 3.5Å; W305-A765 HydrophobicContact CE3-CB 3.77Å; W305-A765 HydrophobicContact CG-CB 4.37Å; W305-A765 HydrophobicContact CH2-CB 3.68Å; W305-A765 HydrophobicContact CZ2-CB 3.54Å; W305-A765 HydrophobicContact CZ3-CB 3.78Å; W305-V769 HydrophobicContact CE3-CG2 4.38Å; W305-V769 HydrophobicContact CZ3-CG2 4.09Å
306	A	88.7	Confident	87.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-84.1	-0.9	-174.8	0	0	0	0	0	115.3	L301 Y302 A765 K766 V769	L301-A306 PolarHBondContact O-N 2.85Å; Y302-A306 HydrophobicContact CD2-CB 4.02Å; Y302-A306 PolarHBondContact O-N 2.9Å; A306-A765 HydrophobicContact CB-CB 3.95Å; A306-K766 HydrophobicContact CB-CB 4.4Å; A306-V769 HydrophobicContact CB-CB 4.27Å; A306-V769 HydrophobicContact CB-CG2 4.2Å
307	C	87	Confident	87.5	Confident	31 Å²	31	44.2 Å²	44.2	21%	0.209	21%	0.213	C	C	.	.			trans	-83.3	128	173.6	-84.6	0	0	0	0	112.5	Y302 W305 G309 V310	Y302-C307 PolarHBondContact O-N 3.4Å; Y302-C307 VanDerWaalsContact O-N 3.14Å; Y302-C307 PolarHBondContact O-SG 3.08Å; Y302-C307 VanDerWaalsContact O-SG 3.34Å; W305-C307 VanDerWaalsContact C-N 3.34Å; W305-C307 PolarHBondContact O-N 2.91Å; C307-G309 VanDerWaalsContact C-N 3.26Å; C307-G309 PolarHBondContact O-N 3.27Å; C307-V310 HydrophobicContact CB-CB 4.49Å; C307-V310 HydrophobicContact CB-CG2 3.83Å; C307-V310 WeakPolarHBondContact O-CB 3.5Å; C307-V310 PolarHBondContact O-N 2.71Å
308	Y	86.4	Confident	87.6	Confident	106 Å²	106	43.6 Å²	43.6	42%	0.416	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.8	-34.7	178.1	-61.3	-47.4	0	0	0	113.6	V310 F311 R762 L763 K766	Y308-V310 PolarHBondContact O-N 2.83Å; Y308-F311 WeakPolarHBondContact O-CD1 3.48Å; Y308-F311 PolarHBondContact O-N 3.27Å; Y308-R762 HydrophobicContact CD1-CB 3.84Å; Y308-R762 HydrophobicContact CE1-CB 4.2Å; Y308-L763 HydrophobicContact CE1-CB 4.46Å; Y308-K766 HydrophobicContact CE2-CD 4.29Å
309	G	84.3	Confident	87.6	Confident	60 Å²	60	43.7 Å²	43.7	62%	0.619	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-65.3	-7.4	176.5	0	0	0	0	0	114.9	C307 Y312	C307-G309 VanDerWaalsContact C-N 3.26Å; C307-G309 PolarHBondContact O-N 3.27Å; G309-Y312 WeakPolarHBondContact O-CE1 3.34Å
310	V	87.6	Confident	87.7	Confident	18 Å²	18	42.1 Å²	42.1	11%	0.109	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-109.2	17.5	-176.2	-165.6	0	0	0	0	111	E304 C307 Y308 Y312 K313 R762	E304-V310 WeakPolarHBondContact O-CG1 3.36Å; C307-V310 HydrophobicContact CB-CB 4.49Å; C307-V310 HydrophobicContact CB-CG2 3.83Å; C307-V310 WeakPolarHBondContact O-CB 3.5Å; C307-V310 PolarHBondContact O-N 2.71Å; Y308-V310 PolarHBondContact O-N 2.83Å; V310-Y312 PolarHBondContact O-N 3.49Å; V310-Y312 VanDerWaalsContact O-N 3.09Å; V310-K313 HydrophobicContact CG1-CB 3.91Å; V310-K313 HydrophobicContact CG1-CD 3.43Å; V310-K313 VanDerWaalsContact CG1-CD 3.43Å; V310-K313 HydrophobicContact CG1-CG 3.64Å; V310-K313 PolarHBondContact O-N 3.4Å; V310-K313 VanDerWaalsContact O-N 3.1Å; V310-R762 VanDerWaalsContact O-CZ 3.27Å; V310-R762 PolarHBondContact O-NH1 3.49Å; V310-R762 PolarHBondContact O-NH2 3.34Å; V310-R762 VanDerWaalsContact O-NH2 3.14Å
311	F	84.8	Confident	87.8	Confident	120 Å²	120	43.7 Å²	43.7	53%	0.526	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.2	-175.5	73.4	-89.1	0	0	0	114.3	Y308 I758 R762	Y308-F311 WeakPolarHBondContact O-CD1 3.48Å; Y308-F311 PolarHBondContact O-N 3.27Å; F311-I758 HydrophobicContact CB-CG2 4.19Å; F311-I758 HydrophobicContact CD2-CG2 3.91Å; F311-I758 HydrophobicContact CG-CG2 4.43Å; F311-R762 HydrophobicContact CB-CG 4.39Å; F311-R762 PolarHBondContact O-NH2 3.07Å
312	Y	84.1	Confident	87.7	Confident	129 Å²	129	46.2 Å²	46.2	51%	0.506	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.6	-178.4	60.3	-91.9	0	0	0	114.2	I205 G309 V310	I205-Y312 WeakPolarHBondContact CG2-O 3.3Å; G309-Y312 WeakPolarHBondContact O-CE1 3.34Å; V310-Y312 PolarHBondContact O-N 3.49Å; V310-Y312 VanDerWaalsContact O-N 3.09Å
313	K	84.5	Confident	87.7	Confident	25 Å²	25	44.4 Å²	44.4	11%	0.109	21%	0.212	C	C	.	.	S	Bend	trans	-74.8	150.5	-176.3	-65.8	-168	-167.1	157.2	0	112.8	I205 E304 V310 R762	I205-K313 CarbonylContact O-C 3.57Å; I205-K313 WeakPolarHBondContact O-CA 3.4Å; I205-K313 WeakPolarHBondContact O-CB 3.42Å; E304-K313 IonicContact OE1-NZ 2.81Å; E304-K313 PolarHBondContact OE1-NZ 2.83Å; E304-K313 IonicContact OE2-NZ 3.45Å; E304-K313 PolarHBondContact OE2-NZ 2.67Å; V310-K313 HydrophobicContact CG1-CB 3.91Å; V310-K313 HydrophobicContact CG1-CD 3.43Å; V310-K313 VanDerWaalsContact CG1-CD 3.43Å; V310-K313 HydrophobicContact CG1-CG 3.64Å; V310-K313 PolarHBondContact O-N 3.4Å; V310-K313 VanDerWaalsContact O-N 3.1Å; K313-R762 PolarHBondContact O-NH2 3.42Å
314	Y	84.4	Confident	87.9	Confident	115 Å²	115	40 Å²	40	45%	0.451	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-60.4	148	169.9	-77.6	-90.6	0	0	0	112.3	T202 I205	T202-Y314 HydrophobicContact CG2-CD2 3.96Å; T202-Y314 HydrophobicContact CG2-CE2 3.31Å; I205-Y314 HydrophobicContact CB-CD2 4.09Å; I205-Y314 HydrophobicContact CB-CE2 4.07Å; I205-Y314 HydrophobicContact CG2-CD2 3.67Å; I205-Y314 HydrophobicContact CG2-CE2 3.68Å; I205-Y314 PolarHBondContact O-N 3.44Å
315	Q	87.2	Confident	88.1	Confident	31 Å²	31	38.7 Å²	38.7	15%	0.145	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-75.3	129.8	-179.3	-59.7	-173.3	63	0	0	111.4	I317 F332 G336 I761	Q315-I317 HydrophobicContact CB-CD1 3.55Å; Q315-I317 HydrophobicContact CB-CG1 4.12Å; Q315-I317 HydrophobicContact CG-CD1 4.49Å; Q315-I317 PolarHBondContact O-N 2.62Å; Q315-F332 PolarHBondContact NE2-O 3.38Å; Q315-G336 VanDerWaalsContact NE2-CA 3.28Å; Q315-I761 HydrophobicContact CG-CG2 4.16Å
316	P	90.5	Very high	88	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.045	19%	0.188	C	C	.	.			trans	-80.2	62.8	177.9	34.4	-35.8	0	0	0	111.5	P207 V209 W305 D318 L319 V320	P207-P316 HydrophobicContact CB-CB 4.33Å; P207-P316 HydrophobicContact CG-CB 4.04Å; V209-P316 HydrophobicContact CG2-CB 4.21Å; W305-P316 HydrophobicContact CB-CG 3.84Å; W305-P316 HydrophobicContact CG-CG 4.15Å; P316-D318 PolarHBondContact O-N 3.11Å; P316-D318 VanDerWaalsContact O-N 3.13Å; P316-L319 HydrophobicContact CB-CB 4.3Å; P316-L319 WeakPolarHBondContact O-CB 3.47Å; P316-L319 PolarHBondContact O-N 2.87Å; P316-V320 PolarHBondContact O-N 3.15Å; P316-V320 VanDerWaalsContact O-N 3.08Å
317	I	89.3	Confident	88.1	Confident	25 Å²	25	42.3 Å²	42.3	13%	0.128	20%	0.201	C	C	.	.	H	α-helix	trans	-55	-36.8	-171.3	-54.3	-60.4	0	0	0	112.8	Q315 L319 V320 R321 G329 F332 A333 W438	Q315-I317 HydrophobicContact CB-CD1 3.55Å; Q315-I317 HydrophobicContact CB-CG1 4.12Å; Q315-I317 HydrophobicContact CG-CD1 4.49Å; Q315-I317 PolarHBondContact O-N 2.62Å; I317-L319 VanDerWaalsContact C-N 3.32Å; I317-L319 PolarHBondContact O-N 3.47Å; I317-V320 PolarHBondContact O-N 3.27Å; I317-R321 WeakPolarHBondContact O-CB 3.31Å; I317-R321 PolarHBondContact O-N 3.29Å; I317-G329 WeakPolarHBondContact CG2-O 3.38Å; I317-F332 HydrophobicContact CD1-CB 3.9Å; I317-A333 HydrophobicContact CG2-CB 4.15Å; I317-W438 HydrophobicContact CG2-CH2 4.05Å; I317-W438 HydrophobicContact CG2-CZ2 3.63Å
318	D	87.1	Confident	88.4	Confident	22 Å²	22	41.2 Å²	41.2	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-68.6	-30.8	-177.9	-61.1	-55.9	0	0	0	112.8	P316 K322 R437 W438	P316-D318 PolarHBondContact O-N 3.11Å; P316-D318 VanDerWaalsContact O-N 3.13Å; D318-K322 PolarHBondContact O-N 3.3Å; D318-R437 VanDerWaalsContact CG-NH1 3.3Å; D318-R437 IonicContact OD1-CZ 2.73Å; D318-R437 IonicContact OD1-NH1 2.8Å; D318-R437 PolarHBondContact OD1-NH1 2.89Å; D318-R437 IonicContact OD1-NH2 2.72Å; D318-R437 IonicContact OD2-CZ 3.15Å; D318-R437 IonicContact OD2-NH1 3.98Å; D318-R437 PolarHBondContact OD2-NH1 3.05Å; D318-R437 IonicContact OD2-NH2 2.71Å; D318-R437 PolarHBondContact OD2-NH2 2.78Å; D318-W438 PolarHBondContact OD1-NE1 2.86Å
319	L	88.9	Confident	88.7	Confident	9 Å²	9	36.1 Å²	36.1	5%	0.047	17%	0.173	C	C	.	.	H	α-helix	trans	-75	-41.5	171.9	-177.3	66.4	0	0	0	111.2	V209 L300 L301 P316 I317 R321 K322 Y323	V209-L319 HydrophobicContact CG2-CD2 4.34Å; L300-L319 HydrophobicContact CD2-CD1 4.48Å; L300-L319 HydrophobicContact CD2-CD2 3.64Å; L300-L319 HydrophobicContact CG-CD2 3.93Å; L301-L319 HydrophobicContact CD2-CB 4.39Å; L301-L319 HydrophobicContact CD2-CD2 3.75Å; L301-L319 HydrophobicContact CD2-CG 3.82Å; L301-L319 HydrophobicContact CG-CD2 3.87Å; L301-L319 HydrophobicContact CG-CG 4Å; P316-L319 HydrophobicContact CB-CB 4.3Å; P316-L319 WeakPolarHBondContact O-CB 3.47Å; P316-L319 PolarHBondContact O-N 2.87Å; I317-L319 VanDerWaalsContact C-N 3.32Å; I317-L319 PolarHBondContact O-N 3.47Å; L319-R321 VanDerWaalsContact C-N 3.29Å; L319-R321 PolarHBondContact O-N 3.39Å; L319-K322 HydrophobicContact CD1-CD 4.48Å; L319-K322 WeakPolarHBondContact O-CB 3.49Å; L319-K322 PolarHBondContact O-N 3.01Å; L319-K322 VanDerWaalsContact O-N 3.13Å; L319-Y323 PolarHBondContact O-N 2.76Å
320	V	91.9	Very high	89.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-44.5	172.5	175.4	0	0	0	0	110.3	L301 W305 P316 I317 Y323 F324 I328 F332	L301-V320 HydrophobicContact CD2-CG2 3.8Å; W305-V320 HydrophobicContact CD2-CG2 4.02Å; W305-V320 HydrophobicContact CE3-CG2 3.93Å; W305-V320 HydrophobicContact CH2-CG1 4.04Å; W305-V320 HydrophobicContact CH2-CG2 3.81Å; W305-V320 HydrophobicContact CZ2-CG1 4.45Å; W305-V320 HydrophobicContact CZ2-CG2 3.88Å; W305-V320 HydrophobicContact CZ3-CG2 3.83Å; P316-V320 PolarHBondContact O-N 3.15Å; P316-V320 VanDerWaalsContact O-N 3.08Å; I317-V320 PolarHBondContact O-N 3.27Å; V320-Y323 PolarHBondContact O-N 3.04Å; V320-F324 HydrophobicContact CG1-CD2 4.15Å; V320-F324 WeakPolarHBondContact O-CB 3.43Å; V320-F324 PolarHBondContact O-N 3.28Å; V320-I328 HydrophobicContact CG1-CG2 4.45Å; V320-F332 HydrophobicContact CG1-CD2 4.04Å
321	R	90.4	Very high	89.5	Confident	56 Å²	56	32.5 Å²	32.5	21%	0.211	14%	0.139	C	C	.	.	H	α-helix	trans	-60.8	-46.7	172.4	174.9	-155.1	63.8	156.6	-2.1	112.1	I317 L319 Y323 G325 E326 W438	I317-R321 WeakPolarHBondContact O-CB 3.31Å; I317-R321 PolarHBondContact O-N 3.29Å; L319-R321 VanDerWaalsContact C-N 3.29Å; L319-R321 PolarHBondContact O-N 3.39Å; R321-Y323 PolarHBondContact O-N 3.4Å; R321-G325 WeakPolarHBondContact O-CA 3.3Å; R321-G325 PolarHBondContact O-N 2.65Å; R321-E326 HydrophobicContact CG-CG 4.07Å; R321-W438 VanDerWaalsContact CD-CG 3.45Å; R321-W438 HydrophobicContact CG-CD2 4.38Å; R321-W438 VanDerWaalsContact NH1-CD1 3.27Å
322	K	88.2	Confident	90	Very high	53 Å²	53	26.8 Å²	26.8	23%	0.23	11%	0.114	C	C	.	.	H	α-helix	trans	-56.1	-43	179.2	-172.2	-169.6	175.2	-149.3	0	110.8	D242 K244 D297 D318 L319	D242-K322 WeakPolarHBondContact OD1-CE 3.38Å; K244-K322 WeakPolarHBondContact CB-O 3.3Å; D297-K322 IonicContact OD1-NZ 3.58Å; D297-K322 IonicContact OD2-NZ 3.72Å; D297-K322 PolarHBondContact OD2-NZ 2.65Å; D318-K322 PolarHBondContact O-N 3.3Å; L319-K322 HydrophobicContact CD1-CD 4.48Å; L319-K322 WeakPolarHBondContact O-CB 3.49Å; L319-K322 PolarHBondContact O-N 3.01Å; L319-K322 VanDerWaalsContact O-N 3.13Å
323	Y	91.1	Very high	90.5	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	9%	0.092	C	C	.	.	H	α-helix	trans	-83.4	-48.1	-174.8	-164.8	-99.7	0	0	0	114.8	H284 D285 D297 R298 L301 L319 V320 R321 R774	H284-Y323 AromaticContact ND1-CE1 3.87Å; H284-Y323 AromaticContact ND1-CZ 3.82Å; H284-Y323 PolarHBondContact ND1-OH 3.21Å; D285-Y323 HydrophobicContact CB-CE2 4.49Å; D285-Y323 WeakPolarHBondContact OD2-CE2 3.46Å; D297-Y323 HydrophobicContact CB-CD2 3.86Å; D297-Y323 HydrophobicContact CB-CE2 4.24Å; R298-Y323 HydrophobicContact CB-CE2 4.34Å; L301-Y323 HydrophobicContact CD1-CD1 3.89Å; L301-Y323 HydrophobicContact CD1-CD2 4.33Å; L301-Y323 HydrophobicContact CD1-CG 3.68Å; L319-Y323 PolarHBondContact O-N 2.76Å; V320-Y323 PolarHBondContact O-N 3.04Å; R321-Y323 PolarHBondContact O-N 3.4Å; Y323-R774 PolarHBondContact O-NE 3Å; Y323-R774 PolarHBondContact O-NH2 2.89Å
324	F	92.1	Very high	91	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-104.1	-12.6	-172.4	-67.6	-70.2	0	0	0	114.7	L301 W305 V320 I328 F768 V769 P775	L301-F324 HydrophobicContact CD1-CE2 4.21Å; W305-F324 HydrophobicContact CZ3-CE2 4.27Å; V320-F324 HydrophobicContact CG1-CD2 4.15Å; V320-F324 WeakPolarHBondContact O-CB 3.43Å; V320-F324 PolarHBondContact O-N 3.28Å; F324-I328 HydrophobicContact CB-CB 4.05Å; F324-I328 HydrophobicContact CB-CD1 4.04Å; F324-I328 HydrophobicContact CB-CG2 3.94Å; F324-I328 HydrophobicContact CG-CG2 4.4Å; F324-F768 HydrophobicContact CE1-CB 4.39Å; F324-F768 HydrophobicContact CZ-CB 4.03Å; F324-F768 WeakPolarHBondContact CZ-O 3.31Å; F324-V769 HydrophobicContact CE2-CG2 4.24Å; F324-V769 HydrophobicContact CZ-CG2 4.13Å; F324-P775 HydrophobicContact CD1-CG 4.01Å
325	G	90.6	Very high	91.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.			trans	91	175.6	-177.2	0	0	0	0	0	115.1	R321 G329	R321-G325 WeakPolarHBondContact O-CA 3.3Å; R321-G325 PolarHBondContact O-N 2.65Å; G325-G329 PolarHBondContact O-N 2.92Å
326	E	89.9	Confident	91.7	Very high	12 Å²	12	13.6 Å²	13.6	6%	0.056	7%	0.067	C	C	.	.	H	α-helix	trans	-73.5	-39.4	-166.4	-62.3	69.5	-152.2	0	0	112.7	K244 R321 I328 G329 L330 W438 L440	K244-E326 IonicContact NZ-OE1 3.53Å; K244-E326 PolarHBondContact NZ-OE1 3.01Å; K244-E326 IonicContact NZ-OE2 2.91Å; R321-E326 HydrophobicContact CG-CG 4.07Å; E326-I328 VanDerWaalsContact C-N 3.27Å; E326-I328 PolarHBondContact O-N 2.88Å; E326-G329 PolarHBondContact O-N 3.26Å; E326-L330 VanDerWaalsContact O-CB 3.3Å; E326-L330 WeakPolarHBondContact O-CB 3.35Å; E326-L330 PolarHBondContact O-N 3.36Å; E326-W438 HydrophobicContact CB-CE3 4.35Å; E326-W438 HydrophobicContact CG-CE3 4.29Å; E326-L440 HydrophobicContact CB-CD1 4.29Å; E326-L440 HydrophobicContact CG-CD1 4.22Å; E326-L440 HydrophobicContact CG-CD2 4.34Å
327	K	90.2	Very high	91.9	Very high	64 Å²	64	13.4 Å²	13.4	28%	0.278	7%	0.066	S	C	.	.	H	α-helix	trans	-57.2	-37.8	177.7	-168	174.6	-174.6	175	0	112.6	E603 L725 V778 A780	K327-E603 IonicContact NZ-OE1 2.65Å; K327-E603 PolarHBondContact NZ-OE1 3.33Å; K327-E603 VanDerWaalsContact NZ-OE1 3.09Å; K327-E603 IonicContact NZ-OE2 3.61Å; K327-E603 PolarHBondContact NZ-OE2 2.75Å; K327-L725 HydrophobicContact CG-CD1 4.1Å; K327-L725 WeakPolarHBondContact O-CD1 3.34Å; K327-V778 HydrophobicContact CB-CB 4.32Å; K327-V778 WeakPolarHBondContact CB-O 3.17Å; K327-V778 HydrophobicContact CD-CB 4.28Å; K327-V778 HydrophobicContact CD-CG1 4.36Å; K327-V778 PolarHBondContact N-O 3.24Å; K327-V778 VanDerWaalsContact N-O 3.1Å; K327-A780 HydrophobicContact CB-CB 3.94Å; K327-A780 HydrophobicContact CG-CB 4.18Å
328	I	93.1	Very high	92.2	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-83.4	-41.9	178.9	-66.1	169.5	0	0	0	111.1	V320 F324 E326 L330 Y331 F332 F722 L725 F768 P775	V320-I328 HydrophobicContact CG1-CG2 4.45Å; F324-I328 HydrophobicContact CB-CB 4.05Å; F324-I328 HydrophobicContact CB-CD1 4.04Å; F324-I328 HydrophobicContact CB-CG2 3.94Å; F324-I328 HydrophobicContact CG-CG2 4.4Å; E326-I328 VanDerWaalsContact C-N 3.27Å; E326-I328 PolarHBondContact O-N 2.88Å; I328-L330 PolarHBondContact O-N 2.78Å; I328-Y331 WeakPolarHBondContact O-CB 3.37Å; I328-Y331 PolarHBondContact O-N 3.35Å; I328-Y331 VanDerWaalsContact O-N 3.16Å; I328-F332 HydrophobicContact CG2-CD2 3.91Å; I328-F332 HydrophobicContact CG2-CE2 3.75Å; I328-F332 WeakPolarHBondContact O-CD2 3.4Å; I328-F332 PolarHBondContact O-N 2.93Å; I328-F722 HydrophobicContact CD1-CZ 4.5Å; I328-L725 HydrophobicContact CG1-CD1 4.17Å; I328-L725 HydrophobicContact CG1-CD2 4.34Å; I328-F768 HydrophobicContact CD1-CD1 4.48Å; I328-F768 HydrophobicContact CD1-CE1 4.04Å; I328-P775 HydrophobicContact CD1-CB 4.06Å; I328-P775 HydrophobicContact CD1-CG 3.31Å
329	G	93.3	Very high	92.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.1	-36	173	0	0	0	0	0	112.9	I317 G325 E326 A333	I317-G329 WeakPolarHBondContact CG2-O 3.38Å; G325-G329 PolarHBondContact O-N 2.92Å; E326-G329 PolarHBondContact O-N 3.26Å; G329-A333 WeakPolarHBondContact O-CB 3.35Å; G329-A333 PolarHBondContact O-N 2.99Å
330	L	93.3	Very high	92.7	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-70.4	-35.9	177.5	-165.5	68	0	0	0	113	E326 I328 A333 W334 W427 Q431 L434 W438 D782 I783	E326-L330 VanDerWaalsContact O-CB 3.3Å; E326-L330 WeakPolarHBondContact O-CB 3.35Å; E326-L330 PolarHBondContact O-N 3.36Å; I328-L330 PolarHBondContact O-N 2.78Å; L330-A333 PolarHBondContact O-N 3.41Å; L330-W334 WeakPolarHBondContact O-CB 3.37Å; L330-W334 PolarHBondContact O-N 2.7Å; L330-W427 HydrophobicContact CD1-CH2 3.72Å; L330-W427 HydrophobicContact CD1-CZ2 3.82Å; L330-W427 HydrophobicContact CG-CH2 4.22Å; L330-W427 HydrophobicContact CG-CZ2 4.11Å; L330-Q431 HydrophobicContact CD1-CG 4.36Å; L330-L434 HydrophobicContact CD1-CD1 4.34Å; L330-W438 HydrophobicContact CB-CZ3 4.21Å; L330-W438 HydrophobicContact CD1-CH2 4.46Å; L330-W438 HydrophobicContact CD1-CZ3 4.12Å; L330-D782 WeakPolarHBondContact CD2-O 3.34Å; L330-I783 HydrophobicContact CD2-CG2 3.99Å; L330-I783 HydrophobicContact CG-CG2 4.19Å
331	Y	94.6	Very high	92.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-52.5	173.8	167.9	-106.6	0	0	0	111.6	I328 A333 W334 L335 E728 Y729 D764	I328-Y331 WeakPolarHBondContact O-CB 3.37Å; I328-Y331 PolarHBondContact O-N 3.35Å; I328-Y331 VanDerWaalsContact O-N 3.16Å; Y331-A333 VanDerWaalsContact C-N 3.28Å; Y331-A333 PolarHBondContact O-N 2.83Å; Y331-W334 PolarHBondContact O-N 2.73Å; Y331-W334 VanDerWaalsContact O-N 3.13Å; Y331-L335 HydrophobicContact CE1-CD2 4.26Å; Y331-L335 WeakPolarHBondContact O-CB 3.31Å; Y331-L335 PolarHBondContact O-N 2.72Å; Y331-E728 HydrophobicContact CE2-CB 4.02Å; Y331-Y729 VanDerWaalsContact CA-OH 3.31Å; Y331-Y729 WeakPolarHBondContact CA-OH 3.04Å; Y331-Y729 HydrophobicContact CD2-CD1 4.04Å; Y331-Y729 HydrophobicContact CD2-CD2 4.05Å; Y331-Y729 AromaticContact CD2-CE1 3.77Å; Y331-Y729 HydrophobicContact CD2-CE1 3.77Å; Y331-Y729 AromaticContact CD2-CE2 3.78Å; Y331-Y729 HydrophobicContact CD2-CE2 3.78Å; Y331-Y729 HydrophobicContact CD2-CG 4.18Å; Y331-Y729 AromaticContact CD2-CZ 3.64Å; Y331-Y729 HydrophobicContact CE2-CD1 4.39Å; Y331-Y729 HydrophobicContact CE2-CG 4.44Å; Y331-Y729 HydrophobicContact CG-CE2 4.36Å; Y331-D764 VanDerWaalsContact CE1-OD2 3.26Å; Y331-D764 WeakPolarHBondContact CE1-OD2 3.12Å; Y331-D764 VanDerWaalsContact CZ-OD2 3.31Å; Y331-D764 PolarHBondContact OH-OD2 3.29Å
332	F	94.8	Very high	93.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-65.6	-31.5	178.3	-74.3	-68.1	0	0	0	113.1	W305 Q315 I317 V320 I328 G336 D764 F768	W305-F332 HydrophobicContact CH2-CD1 4.41Å; W305-F332 AromaticContact CH2-CD2 3.88Å; W305-F332 HydrophobicContact CH2-CD2 3.88Å; W305-F332 HydrophobicContact CH2-CE1 4.1Å; W305-F332 AromaticContact CH2-CE2 3.55Å; W305-F332 HydrophobicContact CH2-CE2 3.55Å; W305-F332 HydrophobicContact CH2-CG 4.29Å; W305-F332 AromaticContact CH2-CZ 3.66Å; W305-F332 HydrophobicContact CH2-CZ 3.66Å; W305-F332 HydrophobicContact CZ2-CB 4.48Å; W305-F332 AromaticContact CZ2-CD1 3.62Å; W305-F332 HydrophobicContact CZ2-CD1 3.62Å; W305-F332 AromaticContact CZ2-CD2 3.76Å; W305-F332 HydrophobicContact CZ2-CD2 3.76Å; W305-F332 AromaticContact CZ2-CE1 3.6Å; W305-F332 HydrophobicContact CZ2-CE1 3.6Å; W305-F332 AromaticContact CZ2-CE2 3.75Å; W305-F332 HydrophobicContact CZ2-CE2 3.75Å; W305-F332 AromaticContact CZ2-CG 3.68Å; W305-F332 HydrophobicContact CZ2-CG 3.68Å; W305-F332 AromaticContact CZ2-CZ 3.66Å; W305-F332 HydrophobicContact CZ2-CZ 3.66Å; Q315-F332 PolarHBondContact NE2-O 3.38Å; I317-F332 HydrophobicContact CD1-CB 3.9Å; V320-F332 HydrophobicContact CG1-CD2 4.04Å; I328-F332 HydrophobicContact CG2-CD2 3.91Å; I328-F332 HydrophobicContact CG2-CE2 3.75Å; I328-F332 WeakPolarHBondContact O-CD2 3.4Å; I328-F332 PolarHBondContact O-N 2.93Å; F332-G336 PolarHBondContact O-N 3.08Å; F332-D764 HydrophobicContact CE1-CB 3.67Å; F332-D764 HydrophobicContact CZ-CB 3.83Å; F332-F768 HydrophobicContact CE2-CD2 4.03Å; F332-F768 HydrophobicContact CE2-CE2 4.29Å; F332-F768 AromaticContact CZ-CD2 3.77Å; F332-F768 HydrophobicContact CZ-CD2 3.77Å; F332-F768 HydrophobicContact CZ-CE2 4.13Å
333	A	94.4	Very high	93.5	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-65.7	-42.5	171.2	0	0	0	0	0	112.6	I317 G329 L330 Y331 V337 W427 L434	I317-A333 HydrophobicContact CG2-CB 4.15Å; G329-A333 WeakPolarHBondContact O-CB 3.35Å; G329-A333 PolarHBondContact O-N 2.99Å; L330-A333 PolarHBondContact O-N 3.41Å; Y331-A333 VanDerWaalsContact C-N 3.28Å; Y331-A333 PolarHBondContact O-N 2.83Å; A333-V337 WeakPolarHBondContact O-CG2 2.96Å; A333-V337 PolarHBondContact O-N 2.91Å; A333-W427 HydrophobicContact CB-CH2 4.25Å; A333-W427 HydrophobicContact CB-CZ3 4.36Å; A333-L434 HydrophobicContact CB-CD1 3.51Å
334	W	95.8	Very high	93.7	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-50.3	176.1	176.4	82.4	0	0	0	111.2	L330 Y331 G336 V337 Y338 F423 W427 Y729 M732 I733 L790	L330-W334 WeakPolarHBondContact O-CB 3.37Å; L330-W334 PolarHBondContact O-N 2.7Å; Y331-W334 PolarHBondContact O-N 2.73Å; Y331-W334 VanDerWaalsContact O-N 3.13Å; W334-G336 VanDerWaalsContact C-N 3.27Å; W334-G336 PolarHBondContact O-N 2.71Å; W334-V337 PolarHBondContact O-N 2.86Å; W334-V337 VanDerWaalsContact O-N 3.13Å; W334-Y338 HydrophobicContact CH2-CD1 4.11Å; W334-Y338 HydrophobicContact CZ3-CD1 4.44Å; W334-Y338 WeakPolarHBondContact O-CB 3.24Å; W334-Y338 PolarHBondContact O-N 2.96Å; W334-F423 HydrophobicContact CZ2-CZ 4.42Å; W334-F423 AromaticContact NE1-CZ 3.88Å; W334-W427 HydrophobicContact CB-CE3 4.29Å; W334-W427 HydrophobicContact CB-CH2 3.59Å; W334-W427 HydrophobicContact CB-CZ2 3.87Å; W334-W427 HydrophobicContact CB-CZ3 3.84Å; W334-W427 AromaticContact CD1-CD2 3.66Å; W334-W427 AromaticContact CD1-CE2 3.69Å; W334-W427 HydrophobicContact CG-CH2 4.45Å; W334-W427 HydrophobicContact CG-CZ2 4.39Å; W334-Y729 HydrophobicContact CD2-CE1 4.19Å; W334-Y729 HydrophobicContact CE3-CD1 4.17Å; W334-Y729 AromaticContact CE3-CE1 3.96Å; W334-Y729 HydrophobicContact CE3-CE1 3.96Å; W334-Y729 HydrophobicContact CZ3-CD1 4.28Å; W334-M732 HydrophobicContact CH2-CB 3.55Å; W334-M732 HydrophobicContact CZ3-CB 3.49Å; W334-M732 VanDerWaalsContact CZ3-CB 3.49Å; W334-M732 HydrophobicContact CZ3-CG 4.02Å; W334-I733 HydrophobicContact CZ2-CD1 4.41Å; W334-L790 HydrophobicContact CZ2-CD1 3.91Å; W334-L790 HydrophobicContact CZ2-CD2 4.43Å
335	L	93.5	Very high	93.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.6	-37.8	177.8	-175.4	58.7	0	0	0	111.6	Y331 Y338 T339 M732 I761	Y331-L335 HydrophobicContact CE1-CD2 4.26Å; Y331-L335 WeakPolarHBondContact O-CB 3.31Å; Y331-L335 PolarHBondContact O-N 2.72Å; L335-Y338 HydrophobicContact CD1-CD1 4.31Å; L335-T339 WeakPolarHBondContact O-CB 3.49Å; L335-T339 PolarHBondContact O-N 2.96Å; L335-T339 PolarHBondContact O-OG1 2.8Å; L335-M732 HydrophobicContact CD1-CG 4Å; L335-M732 HydrophobicContact CD1-SD 3.57Å; L335-M732 VanDerWaalsContact CD1-SD 3.57Å; L335-I761 HydrophobicContact CD2-CB 4.45Å; L335-I761 HydrophobicContact CD2-CG1 3.49Å; L335-I761 VanDerWaalsContact CD2-CG1 3.49Å; L335-I761 HydrophobicContact CG-CD1 4.17Å; L335-I761 HydrophobicContact CG-CG1 3.59Å
336	G	93.1	Very high	94.1	Very high	18 Å²	18	18.3 Å²	18.3	19%	0.186	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-45	172.8	0	0	0	0	0	113.7	Q315 F332 W334 Q340	Q315-G336 VanDerWaalsContact NE2-CA 3.28Å; F332-G336 PolarHBondContact O-N 3.08Å; W334-G336 VanDerWaalsContact C-N 3.27Å; W334-G336 PolarHBondContact O-N 2.71Å; G336-Q340 WeakPolarHBondContact O-CB 3.09Å; G336-Q340 PolarHBondContact O-N 3.35Å
337	V	94	Very high	94.5	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-65.7	-42.7	175.9	167.4	0	0	0	0	111.7	A333 W334 Q340 M341 F423 W427 K430	A333-V337 WeakPolarHBondContact O-CG2 2.96Å; A333-V337 PolarHBondContact O-N 2.91Å; W334-V337 PolarHBondContact O-N 2.86Å; W334-V337 VanDerWaalsContact O-N 3.13Å; V337-Q340 PolarHBondContact O-N 2.8Å; V337-M341 HydrophobicContact CG1-CG 4.44Å; V337-M341 WeakPolarHBondContact O-CB 3.03Å; V337-M341 WeakPolarHBondContact O-CG 3.28Å; V337-M341 PolarHBondContact O-N 3.09Å; V337-F423 HydrophobicContact CG1-CD2 4.34Å; V337-F423 HydrophobicContact CG1-CE2 4.14Å; V337-W427 HydrophobicContact CB-CE3 4.07Å; V337-W427 HydrophobicContact CB-CZ3 4.43Å; V337-W427 HydrophobicContact CG1-CE3 4.23Å; V337-W427 HydrophobicContact CG2-CE3 4.06Å; V337-W427 HydrophobicContact CG2-CZ3 4.16Å; V337-K430 HydrophobicContact CG2-CB 4.32Å; V337-K430 HydrophobicContact CG2-CD 4.24Å; V337-K430 HydrophobicContact CG2-CG 3.84Å
338	Y	95.6	Very high	94.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.9	-47.8	177.1	175.1	-140.3	0	0	0	110.9	W334 L335 Q340 M341 L342 W419 F423 Q735 F736 N757	W334-Y338 HydrophobicContact CH2-CD1 4.11Å; W334-Y338 HydrophobicContact CZ3-CD1 4.44Å; W334-Y338 WeakPolarHBondContact O-CB 3.24Å; W334-Y338 PolarHBondContact O-N 2.96Å; L335-Y338 HydrophobicContact CD1-CD1 4.31Å; Y338-Q340 PolarHBondContact O-N 3.15Å; Y338-M341 PolarHBondContact O-N 3.18Å; Y338-L342 HydrophobicContact CD2-CD1 4.19Å; Y338-L342 HydrophobicContact CD2-CG 4.15Å; Y338-L342 HydrophobicContact CE1-CD1 4.31Å; Y338-L342 HydrophobicContact CE2-CD1 3.79Å; Y338-L342 HydrophobicContact CE2-CD2 4.04Å; Y338-L342 HydrophobicContact CE2-CG 3.88Å; Y338-L342 WeakPolarHBondContact O-CG 3.48Å; Y338-L342 PolarHBondContact O-N 2.97Å; Y338-W419 HydrophobicContact CE2-CH2 4.24Å; Y338-F423 HydrophobicContact CD2-CE2 4.17Å; Y338-F423 HydrophobicContact CD2-CZ 4Å; Y338-F423 HydrophobicContact CG-CE2 4.42Å; Y338-F423 HydrophobicContact CG-CZ 4.26Å; Y338-Q735 PolarHBondContact OH-OE1 3.31Å; Y338-Q735 VanDerWaalsContact OH-OE1 3.1Å; Y338-F736 AromaticContact CE2-CD2 3.94Å; Y338-F736 HydrophobicContact CE2-CD2 3.94Å; Y338-F736 WeakPolarHBondContact OH-CA 3.37Å; Y338-F736 PolarHBondContact OH-N 2.91Å; Y338-N757 WeakPolarHBondContact CD1-ND2 3.34Å; Y338-N757 VanDerWaalsContact CE1-ND2 3.28Å; Y338-N757 WeakPolarHBondContact CE1-ND2 3.39Å
339	T	94.1	Very high	94.8	Very high	14 Å²	14	20.2 Å²	20.2	9%	0.086	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-43.7	174.6	-51.8	0	0	0	0	112.3	L335 M341 L342 L754 N757 I758 I761	L335-T339 WeakPolarHBondContact O-CB 3.49Å; L335-T339 PolarHBondContact O-N 2.96Å; L335-T339 PolarHBondContact O-OG1 2.8Å; T339-M341 VanDerWaalsContact C-N 3.35Å; T339-M341 PolarHBondContact O-N 3.3Å; T339-L342 PolarHBondContact O-N 3.4Å; T339-L754 HydrophobicContact CG2-CD1 3.82Å; T339-L754 WeakPolarHBondContact O-CD1 3.41Å; T339-N757 HydrophobicContact CG2-CB 3.94Å; T339-N757 WeakPolarHBondContact OG1-CB 3.31Å; T339-N757 PolarHBondContact OG1-ND2 3.35Å; T339-I758 HydrophobicContact CG2-CG1 4.22Å; T339-I761 HydrophobicContact CG2-CD1 4.24Å; T339-I761 WeakPolarHBondContact OG1-CD1 3.45Å
340	Q	93.6	Very high	94.9	Very high	93 Å²	93	23.2 Å²	23.2	44%	0.435	13%	0.128	S	C	.	.	H	α-helix	trans	-61.8	-41.5	176.6	-177.2	179.4	-4.4	0	0	112.1	G336 V337 Y338 I343 P344	G336-Q340 WeakPolarHBondContact O-CB 3.09Å; G336-Q340 PolarHBondContact O-N 3.35Å; V337-Q340 PolarHBondContact O-N 2.8Å; Y338-Q340 PolarHBondContact O-N 3.15Å; Q340-I343 WeakPolarHBondContact O-CB 3.07Å; Q340-I343 PolarHBondContact O-N 3.27Å; Q340-P344 WeakPolarHBondContact O-CD 3.33Å
341	M	94.9	Very high	95	Very high	26 Å²	26	28.1 Å²	28.1	13%	0.128	15%	0.153	C	C	.	.	H	α-helix	trans	-74.3	-26	178.6	-72.9	-64.3	-68.5	0	0	112.7	V337 Y338 T339 I343 P344 W419 T422 F423	V337-M341 HydrophobicContact CG1-CG 4.44Å; V337-M341 WeakPolarHBondContact O-CB 3.03Å; V337-M341 WeakPolarHBondContact O-CG 3.28Å; V337-M341 PolarHBondContact O-N 3.09Å; Y338-M341 PolarHBondContact O-N 3.18Å; T339-M341 VanDerWaalsContact C-N 3.35Å; T339-M341 PolarHBondContact O-N 3.3Å; M341-I343 VanDerWaalsContact C-N 3.25Å; M341-I343 PolarHBondContact O-N 3.05Å; M341-P344 VanDerWaalsContact O-CD 3.23Å; M341-P344 WeakPolarHBondContact O-CD 3.49Å; M341-P344 VanDerWaalsContact O-CG 3.29Å; M341-P344 WeakPolarHBondContact O-CG 3.36Å; M341-W419 HydrophobicContact CB-CZ2 4.18Å; M341-W419 PolarHBondContact O-NE1 3.07Å; M341-T422 HydrophobicContact CE-CG2 4.1Å; M341-F423 HydrophobicContact CB-CD2 4.07Å; M341-F423 HydrophobicContact CE-CB 4.35Å; M341-F423 HydrophobicContact CG-CD2 4.06Å
342	L	95.8	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-28.2	172.2	-76	170.7	0	0	0	112.6	Y338 T339 A345 S346 W419 V739 P750 A753 L754	Y338-L342 HydrophobicContact CD2-CD1 4.19Å; Y338-L342 HydrophobicContact CD2-CG 4.15Å; Y338-L342 HydrophobicContact CE1-CD1 4.31Å; Y338-L342 HydrophobicContact CE2-CD1 3.79Å; Y338-L342 HydrophobicContact CE2-CD2 4.04Å; Y338-L342 HydrophobicContact CE2-CG 3.88Å; Y338-L342 WeakPolarHBondContact O-CG 3.48Å; Y338-L342 PolarHBondContact O-N 2.97Å; T339-L342 PolarHBondContact O-N 3.4Å; L342-A345 CarbonylContact O-C 3.1Å; L342-A345 WeakPolarHBondContact O-CB 3.44Å; L342-A345 PolarHBondContact O-N 3.21Å; L342-A345 VanDerWaalsContact O-N 3.14Å; L342-S346 PolarHBondContact O-N 2.68Å; L342-S346 PolarHBondContact O-OG 3.43Å; L342-W419 HydrophobicContact CD2-CH2 3.99Å; L342-W419 HydrophobicContact CD2-CZ2 3.92Å; L342-W419 HydrophobicContact CG-CZ2 4.32Å; L342-V739 HydrophobicContact CD2-CG1 4.02Å; L342-P750 HydrophobicContact CD2-CB 4.09Å; L342-A753 HydrophobicContact CD1-CB 3.95Å; L342-A753 HydrophobicContact CD2-CB 4.33Å; L342-L754 HydrophobicContact CB-CB 4.18Å; L342-L754 HydrophobicContact CB-CD1 4.05Å
343	I	95.1	Very high	94.8	Very high	80 Å²	80	30.5 Å²	30.5	41%	0.41	16%	0.164	S	C	.	.	H	α-helix	trans	-53.6	-58.3	179.9	-61	170	0	0	0	113.1	Q340 M341 A345 S346 I347 L754	Q340-I343 WeakPolarHBondContact O-CB 3.07Å; Q340-I343 PolarHBondContact O-N 3.27Å; M341-I343 VanDerWaalsContact C-N 3.25Å; M341-I343 PolarHBondContact O-N 3.05Å; I343-A345 VanDerWaalsContact C-N 3.28Å; I343-A345 PolarHBondContact O-N 3.02Å; I343-S346 PolarHBondContact O-N 2.65Å; I343-I347 HydrophobicContact CG2-CD1 3.93Å; I343-I347 WeakPolarHBondContact O-CG1 3.44Å; I343-I347 PolarHBondContact O-N 3.33Å; I343-L754 HydrophobicContact CG1-CD1 3.77Å; I343-L754 HydrophobicContact CG1-CD2 4.14Å
344	P	95.9	Very high	94.7	Very high	56 Å²	56	35 Å²	35	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-62.3	-33.2	177.1	23.5	-34.3	0	0	0	112.9	Q340 M341 I347 V348	Q340-P344 WeakPolarHBondContact O-CD 3.33Å; M341-P344 VanDerWaalsContact O-CD 3.23Å; M341-P344 WeakPolarHBondContact O-CD 3.49Å; M341-P344 VanDerWaalsContact O-CG 3.29Å; M341-P344 WeakPolarHBondContact O-CG 3.36Å; P344-I347 PolarHBondContact O-N 2.91Å; P344-V348 WeakPolarHBondContact O-CG2 3.14Å; P344-V348 PolarHBondContact O-N 2.65Å
345	A	95.9	Very high	94.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-40.8	175.4	0	0	0	0	0	112.4	L342 I343 G349 F415 M416 W419 P750	L342-A345 CarbonylContact O-C 3.1Å; L342-A345 WeakPolarHBondContact O-CB 3.44Å; L342-A345 PolarHBondContact O-N 3.21Å; L342-A345 VanDerWaalsContact O-N 3.14Å; I343-A345 VanDerWaalsContact C-N 3.28Å; I343-A345 PolarHBondContact O-N 3.02Å; A345-G349 PolarHBondContact O-N 2.9Å; A345-F415 HydrophobicContact CB-CE1 4.47Å; A345-M416 HydrophobicContact CB-CE 4.34Å; A345-M416 HydrophobicContact CB-SD 3.79Å; A345-W419 HydrophobicContact CB-CD2 4.4Å; A345-W419 HydrophobicContact CB-CG 4.47Å; A345-P750 HydrophobicContact CB-CB 3.81Å; A345-P750 HydrophobicContact CB-CG 4.11Å
346	S	96.4	Very high	94.5	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-41.7	174.2	-51.7	0	0	0	0	111.7	L342 I343 G349 I350 P750 L751	L342-S346 PolarHBondContact O-N 2.68Å; L342-S346 PolarHBondContact O-OG 3.43Å; I343-S346 PolarHBondContact O-N 2.65Å; S346-G349 PolarHBondContact O-N 2.9Å; S346-I350 WeakPolarHBondContact O-CB 3.3Å; S346-I350 WeakPolarHBondContact O-CD1 3.39Å; S346-I350 VanDerWaalsContact O-CG1 3.24Å; S346-I350 WeakPolarHBondContact O-CG1 3.24Å; S346-I350 PolarHBondContact O-N 3.09Å; S346-P750 VanDerWaalsContact OG-C 3.28Å; S346-P750 PolarHBondContact OG-O 2.93Å; S346-P750 VanDerWaalsContact OG-O 3.05Å; S346-L751 WeakPolarHBondContact OG-CA 3.39Å; S346-L751 PolarHBondContact OG-N 3.4Å
347	I	96.4	Very high	94.4	Very high	93 Å²	93	42.4 Å²	42.4	48%	0.477	22%	0.219	S	C	.	.	H	α-helix	trans	-61.8	-50.2	178.3	-68.3	166	0	0	0	110.5	I343 P344 G349 I350 I351	I343-I347 HydrophobicContact CG2-CD1 3.93Å; I343-I347 WeakPolarHBondContact O-CG1 3.44Å; I343-I347 PolarHBondContact O-N 3.33Å; P344-I347 PolarHBondContact O-N 2.91Å; I347-G349 VanDerWaalsContact C-N 3.35Å; I347-G349 PolarHBondContact O-N 3.42Å; I347-I350 PolarHBondContact O-N 3.09Å; I347-I351 HydrophobicContact CG2-CD1 3.95Å; I347-I351 WeakPolarHBondContact O-CG1 3.3Å; I347-I351 PolarHBondContact O-N 3.15Å
348	V	96	Very high	94.4	Very high	31 Å²	31	45.8 Å²	45.8	19%	0.188	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-39.9	178.3	-179.8	0	0	0	0	111	P344 I350 I351 V352 F411 F412 F415	P344-V348 WeakPolarHBondContact O-CG2 3.14Å; P344-V348 PolarHBondContact O-N 2.65Å; V348-I350 PolarHBondContact O-N 2.81Å; V348-I351 PolarHBondContact O-N 2.87Å; V348-V352 HydrophobicContact CG1-CG2 4.38Å; V348-V352 WeakPolarHBondContact O-CG2 3.38Å; V348-V352 PolarHBondContact O-N 3.34Å; V348-F411 HydrophobicContact CG1-CE1 4.49Å; V348-F412 HydrophobicContact CB-CD2 4.37Å; V348-F412 HydrophobicContact CB-CE2 4Å; V348-F412 HydrophobicContact CG1-CD2 3.66Å; V348-F412 HydrophobicContact CG1-CE2 3.81Å; V348-F415 HydrophobicContact CB-CD1 4.43Å; V348-F415 HydrophobicContact CB-CE1 4.02Å; V348-F415 HydrophobicContact CB-CZ 4.25Å; V348-F415 HydrophobicContact CG1-CD1 4.15Å; V348-F415 HydrophobicContact CG1-CE1 4.25Å; V348-F415 HydrophobicContact CG1-CG 4.47Å; V348-F415 HydrophobicContact CG2-CE1 4.17Å; V348-F415 HydrophobicContact CG2-CE2 4.24Å; V348-F415 HydrophobicContact CG2-CZ 3.87Å
349	G	94.4	Very high	94.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-40.4	175.7	0	0	0	0	0	113.5	A345 S346 I347 F353 P747	A345-G349 PolarHBondContact O-N 2.9Å; S346-G349 PolarHBondContact O-N 2.9Å; I347-G349 VanDerWaalsContact C-N 3.35Å; I347-G349 PolarHBondContact O-N 3.42Å; G349-F353 WeakPolarHBondContact O-CB 3.28Å; G349-F353 PolarHBondContact O-N 3.34Å; G349-P747 WeakPolarHBondContact CA-O 3.42Å
350	I	94.9	Very high	93.9	Very high	62 Å²	62	47.1 Å²	47.1	32%	0.318	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-43.5	173.4	-69.3	163.6	0	0	0	110.8	S346 I347 V348 V352 F353 L354 L748 L751	S346-I350 WeakPolarHBondContact O-CB 3.3Å; S346-I350 WeakPolarHBondContact O-CD1 3.39Å; S346-I350 VanDerWaalsContact O-CG1 3.24Å; S346-I350 WeakPolarHBondContact O-CG1 3.24Å; S346-I350 PolarHBondContact O-N 3.09Å; I347-I350 PolarHBondContact O-N 3.09Å; V348-I350 PolarHBondContact O-N 2.81Å; I350-V352 VanDerWaalsContact C-N 3.34Å; I350-V352 PolarHBondContact O-N 3.5Å; I350-F353 PolarHBondContact O-N 3.32Å; I350-L354 HydrophobicContact CG2-CD1 3.78Å; I350-L354 HydrophobicContact CG2-CG 4.16Å; I350-L354 WeakPolarHBondContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.48Å; I350-L748 HydrophobicContact CG1-CD2 4.12Å; I350-L751 HydrophobicContact CD1-CD1 4.21Å; I350-L751 HydrophobicContact CD1-CD2 4.04Å; I350-L751 HydrophobicContact CG1-CD2 4.11Å
351	I	95	Very high	93.6	Very high	105 Å²	105	47.5 Å²	47.5	54%	0.538	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-44.9	177.9	-68.8	164.5	0	0	0	110.8	I347 V348 F353 L354 Y355	I347-I351 HydrophobicContact CG2-CD1 3.95Å; I347-I351 WeakPolarHBondContact O-CG1 3.3Å; I347-I351 PolarHBondContact O-N 3.15Å; V348-I351 PolarHBondContact O-N 2.87Å; I351-F353 VanDerWaalsContact C-N 3.34Å; I351-F353 PolarHBondContact O-N 2.58Å; I351-L354 PolarHBondContact O-N 2.67Å; I351-Y355 WeakPolarHBondContact O-CB 3.04Å; I351-Y355 PolarHBondContact O-N 2.81Å
352	V	93.9	Very high	93.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-65.4	-36.7	177.7	170.4	0	0	0	0	111.9	V348 I350 G356 A408 T409 F412 P747	V348-V352 HydrophobicContact CG1-CG2 4.38Å; V348-V352 WeakPolarHBondContact O-CG2 3.38Å; V348-V352 PolarHBondContact O-N 3.34Å; I350-V352 VanDerWaalsContact C-N 3.34Å; I350-V352 PolarHBondContact O-N 3.5Å; V352-G356 PolarHBondContact O-N 3Å; V352-A408 HydrophobicContact CG1-CB 4.14Å; V352-A408 HydrophobicContact CG2-CB 4.37Å; V352-T409 HydrophobicContact CG1-CG2 3.81Å; V352-F412 HydrophobicContact CG1-CB 4.35Å; V352-F412 HydrophobicContact CG2-CB 4.17Å; V352-F412 HydrophobicContact CG2-CD2 4.35Å; V352-F412 HydrophobicContact CG2-CG 4.4Å; V352-P747 HydrophobicContact CG1-CB 4.23Å; V352-P747 HydrophobicContact CG1-CG 4.18Å
353	F	92.4	Very high	92.8	Very high	43 Å²	43	54.9 Å²	54.9	19%	0.189	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-43.4	174.4	-178.4	-98.7	0	0	0	112.4	G349 I350 I351 Y355 G356 C357 L403 F404 L748	G349-F353 WeakPolarHBondContact O-CB 3.28Å; G349-F353 PolarHBondContact O-N 3.34Å; I350-F353 PolarHBondContact O-N 3.32Å; I351-F353 VanDerWaalsContact C-N 3.34Å; I351-F353 PolarHBondContact O-N 2.58Å; F353-Y355 VanDerWaalsContact C-N 3.35Å; F353-G356 CarbonylContact O-C 3.56Å; F353-G356 WeakPolarHBondContact O-CA 3.41Å; F353-G356 PolarHBondContact O-N 3.48Å; F353-G356 VanDerWaalsContact O-N 3.12Å; F353-C357 PolarHBondContact O-N 3.47Å; F353-L403 HydrophobicContact CD2-CD1 3.95Å; F353-L403 HydrophobicContact CD2-CD2 4.48Å; F353-L403 HydrophobicContact CD2-CG 4.04Å; F353-L403 HydrophobicContact CE2-CD1 3.76Å; F353-L403 HydrophobicContact CE2-CD2 3.53Å; F353-L403 HydrophobicContact CE2-CG 3.56Å; F353-L403 HydrophobicContact CG-CD1 4.46Å; F353-L403 HydrophobicContact CZ-CD1 4.1Å; F353-L403 HydrophobicContact CZ-CD2 3.72Å; F353-L403 HydrophobicContact CZ-CG 4.14Å; F353-L403 WeakPolarHBondContact O-CD1 3.25Å; F353-F404 HydrophobicContact CD2-CE1 4.08Å; F353-F404 AromaticContact CE2-CE1 3.76Å; F353-F404 HydrophobicContact CE2-CE1 3.76Å; F353-F404 AromaticContact CE2-CZ 3.87Å; F353-F404 HydrophobicContact CE2-CZ 3.87Å; F353-L748 HydrophobicContact CB-CD2 3.88Å; F353-L748 HydrophobicContact CB-CG 4.21Å; F353-L748 HydrophobicContact CD1-CD1 4.1Å; F353-L748 HydrophobicContact CD1-CD2 4.27Å; F353-L748 HydrophobicContact CD2-CD1 3.73Å; F353-L748 HydrophobicContact CD2-CD2 4.43Å; F353-L748 HydrophobicContact CD2-CG 3.93Å; F353-L748 HydrophobicContact CE1-CD1 4.1Å; F353-L748 HydrophobicContact CE2-CD1 3.72Å; F353-L748 HydrophobicContact CE2-CG 4.41Å; F353-L748 HydrophobicContact CG-CD1 3.91Å; F353-L748 HydrophobicContact CG-CD2 3.95Å; F353-L748 HydrophobicContact CG-CG 3.97Å; F353-L748 HydrophobicContact CZ-CD1 3.9Å
354	L	92.9	Very high	92.5	Very high	100 Å²	100	53.5 Å²	53.5	52%	0.524	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-35.5	176	-71.1	174.9	0	0	0	112.4	I350 I351 G356 C357 A358	I350-L354 HydrophobicContact CG2-CD1 3.78Å; I350-L354 HydrophobicContact CG2-CG 4.16Å; I350-L354 WeakPolarHBondContact O-CB 3.31Å; I350-L354 WeakPolarHBondContact O-CG 3.43Å; I350-L354 PolarHBondContact O-N 3.48Å; I351-L354 PolarHBondContact O-N 2.67Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-C357 WeakPolarHBondContact O-CB 3.28Å; L354-C357 PolarHBondContact O-N 3.32Å; L354-A358 WeakPolarHBondContact O-CB 3.44Å; L354-A358 PolarHBondContact O-N 3.06Å
355	Y	93.4	Very high	92	Very high	113 Å²	113	51.1 Å²	51.1	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-42.9	168.9	174.6	-94.4	0	0	0	111.4	I351 F353 A358 T359 A408	I351-Y355 WeakPolarHBondContact O-CB 3.04Å; I351-Y355 PolarHBondContact O-N 2.81Å; F353-Y355 VanDerWaalsContact C-N 3.35Å; Y355-A358 PolarHBondContact O-N 2.96Å; Y355-T359 HydrophobicContact CD2-CG2 4.4Å; Y355-T359 HydrophobicContact CE1-CG2 4.33Å; Y355-T359 HydrophobicContact CE2-CG2 3.95Å; Y355-T359 PolarHBondContact O-N 3.21Å; Y355-T359 VanDerWaalsContact O-N 3.15Å; Y355-T359 PolarHBondContact O-OG1 3.07Å; Y355-A408 HydrophobicContact CD1-CB 3.81Å; Y355-A408 HydrophobicContact CE1-CB 4.08Å
356	G	91.3	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.7	-49.3	170.5	0	0	0	0	0	112.1	V352 F353 L354 A358 T359 V360	V352-G356 PolarHBondContact O-N 3Å; F353-G356 CarbonylContact O-C 3.56Å; F353-G356 WeakPolarHBondContact O-CA 3.41Å; F353-G356 PolarHBondContact O-N 3.48Å; F353-G356 VanDerWaalsContact O-N 3.12Å; L354-G356 VanDerWaalsContact C-N 3.32Å; G356-A358 PolarHBondContact O-N 3.38Å; G356-T359 PolarHBondContact O-N 3.49Å; G356-T359 PolarHBondContact O-OG1 2.94Å; G356-V360 WeakPolarHBondContact O-CG2 3.32Å; G356-V360 PolarHBondContact O-N 3.47Å
357	C	91.5	Very high	91.2	Very high	60 Å²	60	55.1 Å²	55.1	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-57.6	-45.7	176.2	-69.1	0	0	0	0	112.8	F353 L354 T359 L403	F353-C357 PolarHBondContact O-N 3.47Å; L354-C357 WeakPolarHBondContact O-CB 3.28Å; L354-C357 PolarHBondContact O-N 3.32Å; C357-T359 VanDerWaalsContact C-N 3.28Å; C357-T359 PolarHBondContact O-N 3.06Å; C357-L403 HydrophobicContact CB-CD1 4.3Å; C357-L403 WeakPolarHBondContact SG-CD1 3.49Å
358	A	92.6	Very high	90.7	Very high	75 Å²	75	52 Å²	52	62%	0.62	28%	0.276	S	S	*	.	H	α-helix	trans	-66.9	-28.7	-176.8	0	0	0	0	0	113	L354 Y355 G356	L354-A358 WeakPolarHBondContact O-CB 3.44Å; L354-A358 PolarHBondContact O-N 3.06Å; Y355-A358 PolarHBondContact O-N 2.96Å; G356-A358 PolarHBondContact O-N 3.38Å
359	T	91.1	Very high	90.3	Very high	20 Å²	20	52 Å²	52	12%	0.123	28%	0.275	C	S	.	.	H	α-helix	trans	-101.5	3.3	-173.8	54.6	0	0	0	0	114.3	Y355 G356 C357 D361 E362 N363 H402	Y355-T359 HydrophobicContact CD2-CG2 4.4Å; Y355-T359 HydrophobicContact CE1-CG2 4.33Å; Y355-T359 HydrophobicContact CE2-CG2 3.95Å; Y355-T359 PolarHBondContact O-N 3.21Å; Y355-T359 VanDerWaalsContact O-N 3.15Å; Y355-T359 PolarHBondContact O-OG1 3.07Å; G356-T359 PolarHBondContact O-N 3.49Å; G356-T359 PolarHBondContact O-OG1 2.94Å; C357-T359 VanDerWaalsContact C-N 3.28Å; C357-T359 PolarHBondContact O-N 3.06Å; T359-D361 PolarHBondContact O-N 3Å; T359-E362 PolarHBondContact O-N 2.67Å; T359-N363 PolarHBondContact O-N 3.43Å; T359-H402 PolarHBondContact O-CE1 2.97Å
360	V	89.1	Confident	89.9	Confident	21 Å²	21	53 Å²	53	13%	0.127	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-47.2	-178.8	179.4	0	0	0	0	112.6	G356 E362 R399	G356-V360 WeakPolarHBondContact O-CG2 3.32Å; G356-V360 PolarHBondContact O-N 3.47Å; V360-E362 VanDerWaalsContact C-N 3.34Å; V360-R399 HydrophobicContact CG1-CB 3.82Å; V360-R399 HydrophobicContact CG1-CG 3.99Å
361	D	87.3	Confident	89.6	Confident	101 Å²	101	52.9 Å²	52.9	54%	0.54	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.8	-175	-68	-57.2	0	0	0	113.2	T359 R399	T359-D361 PolarHBondContact O-N 3Å; D361-R399 IonicContact OD1-CZ 3.26Å; D361-R399 VanDerWaalsContact OD1-CZ 3.26Å; D361-R399 IonicContact OD1-NH1 2.81Å; D361-R399 PolarHBondContact OD1-NH1 3.03Å; D361-R399 IonicContact OD1-NH2 3.25Å; D361-R399 PolarHBondContact OD1-NH2 2.82Å
362	E	87.1	Confident	88.9	Confident	153 Å²	153	55.4 Å²	55.4	72%	0.715	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-18.4	174.7	-62	-173.7	161.1	0	0	113.1	T359 V360 I364	T359-E362 PolarHBondContact O-N 2.67Å; V360-E362 VanDerWaalsContact C-N 3.34Å; E362-I364 PolarHBondContact O-N 3.22Å
363	N	85.4	Confident	88.2	Confident	28 Å²	28	65.7 Å²	65.7	15%	0.15	33%	0.329	C	S	.	.			trans	-76	109.1	-173.3	178.3	58.1	0	0	0	112.8	T359 P365 S366 M367 H402	T359-N363 PolarHBondContact O-N 3.43Å; N363-P365 WeakPolarHBondContact OD1-CD 3.28Å; N363-S366 WeakPolarHBondContact CB-OG 3.21Å; N363-S366 PolarHBondContact ND2-N 3.49Å; N363-S366 PolarHBondContact ND2-OG 2.7Å; N363-S366 PolarHBondContact O-N 3.4Å; N363-S366 PolarHBondContact O-OG 3.22Å; N363-M367 PolarHBondContact O-N 3Å; N363-M367 VanDerWaalsContact O-N 3.15Å; N363-H402 PolarHBondContact ND2-CD2 3.02Å; N363-H402 VanDerWaalsContact ND2-CD2 3.3Å
364	I	88.6	Confident	87.3	Confident	51 Å²	51	67.1 Å²	67.1	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-52.3	-51.1	-175.3	-66.3	159.7	0	0	0	113.3	E362 S366 M367 E368 M827 H828	E362-I364 PolarHBondContact O-N 3.22Å; I364-S366 PolarHBondContact O-N 3.02Å; I364-M367 PolarHBondContact O-N 3.5Å; I364-E368 HydrophobicContact CG2-CG 4.29Å; I364-E368 PolarHBondContact O-N 3.47Å; I364-M827 HydrophobicContact CB-CB 4.14Å; I364-M827 HydrophobicContact CD1-CB 4.3Å; I364-M827 HydrophobicContact CG2-CB 4.26Å; I364-H828 WeakPolarHBondContact CG2-ND1 3.2Å
365	P	86.6	Confident	86.6	Confident	7 Å²	7	67.6 Å²	67.6	5%	0.045	34%	0.339	C	S	.	.	H	α-helix	trans	-56.9	-39.5	178.6	-30	37.4	0	0	0	115.2	N363 M367 E368 M369 M827 F830	N363-P365 WeakPolarHBondContact OD1-CD 3.28Å; P365-M367 VanDerWaalsContact C-N 3.35Å; P365-E368 PolarHBondContact O-N 2.83Å; P365-M369 WeakPolarHBondContact O-CG 3.35Å; P365-M369 PolarHBondContact O-N 2.83Å; P365-M369 VanDerWaalsContact O-N 3.09Å; P365-M827 HydrophobicContact CG-CB 4.28Å; P365-M827 HydrophobicContact CG-CE 3.94Å; P365-F830 HydrophobicContact CB-CD1 3.93Å; P365-F830 HydrophobicContact CB-CE1 4.5Å; P365-F830 HydrophobicContact CG-CD1 3.96Å; P365-F830 HydrophobicContact CG-CG 4.46Å
366	S	86.9	Confident	86.3	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.028	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-33.5	175.8	37	0	0	0	0	111.9	N363 I364 M369 C370	N363-S366 WeakPolarHBondContact CB-OG 3.21Å; N363-S366 PolarHBondContact ND2-N 3.49Å; N363-S366 PolarHBondContact ND2-OG 2.7Å; N363-S366 PolarHBondContact O-N 3.4Å; N363-S366 PolarHBondContact O-OG 3.22Å; I364-S366 PolarHBondContact O-N 3.02Å; S366-M369 PolarHBondContact O-N 3.16Å; S366-C370 WeakPolarHBondContact O-CB 3.4Å; S366-C370 PolarHBondContact O-N 2.97Å; S366-C370 VanDerWaalsContact O-N 3.1Å; S366-C370 PolarHBondContact O-SG 2.69Å
367	M	87.6	Confident	86.2	Confident	84 Å²	84	64 Å²	64	41%	0.414	33%	0.328	S	S	.	.	H	α-helix	trans	-68.4	-39.1	174	-68.2	-61	-76.5	0	0	112	N363 I364 P365 M369 C370 D371 R399	N363-M367 PolarHBondContact O-N 3Å; N363-M367 VanDerWaalsContact O-N 3.15Å; I364-M367 PolarHBondContact O-N 3.5Å; P365-M367 VanDerWaalsContact C-N 3.35Å; M367-M369 PolarHBondContact O-N 2.7Å; M367-C370 CarbonylContact O-C 3.54Å; M367-C370 PolarHBondContact O-N 3.06Å; M367-C370 VanDerWaalsContact O-N 3.12Å; M367-D371 PolarHBondContact O-N 3.49Å; M367-R399 PolarHBondContact SD-NH2 2.77Å; M367-R399 VanDerWaalsContact SD-NH2 3.44Å
368	E	87.7	Confident	86.1	Confident	27 Å²	27	61.6 Å²	61.6	13%	0.126	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-39.6	172.5	-71.8	-172.9	170.3	0	0	112.6	I364 P365 C370 D371 H828 G829 F830 V831	I364-E368 HydrophobicContact CG2-CG 4.29Å; I364-E368 PolarHBondContact O-N 3.47Å; P365-E368 PolarHBondContact O-N 2.83Å; E368-C370 VanDerWaalsContact C-N 3.26Å; E368-C370 PolarHBondContact O-N 3.15Å; E368-D371 PolarHBondContact O-N 3.09Å; E368-H828 VanDerWaalsContact OE1-CA 3.28Å; E368-H828 WeakPolarHBondContact OE1-CA 3.45Å; E368-H828 IonicContact OE1-ND1 3.98Å; E368-H828 PolarHBondContact OE1-ND1 3.19Å; E368-G829 PolarHBondContact OE1-N 2.98Å; E368-G829 PolarHBondContact OE2-N 3.35Å; E368-F830 PolarHBondContact OE2-N 2.74Å; E368-V831 HydrophobicContact CB-CB 4.25Å; E368-V831 HydrophobicContact CB-CG2 3.71Å; E368-V831 PolarHBondContact OE2-N 2.7Å
369	M	86.3	Confident	85.9	Confident	32 Å²	32	58.4 Å²	58.4	16%	0.158	28%	0.284	C	S	.	.	H	α-helix	trans	-68.8	-23.7	173.6	-68.6	179.9	76.7	0	0	113.4	P365 S366 M367 M391 S392 A398 V831	P365-M369 WeakPolarHBondContact O-CG 3.35Å; P365-M369 PolarHBondContact O-N 2.83Å; P365-M369 VanDerWaalsContact O-N 3.09Å; S366-M369 PolarHBondContact O-N 3.16Å; M367-M369 PolarHBondContact O-N 2.7Å; M369-M391 HydrophobicContact CB-CG 4.41Å; M369-M391 HydrophobicContact CE-CG 4.49Å; M369-M391 HydrophobicContact CE-SD 3.6Å; M369-M391 HydrophobicContact CG-CG 4.41Å; M369-S392 WeakPolarHBondContact O-CA 3.28Å; M369-A398 HydrophobicContact CB-CB 4.27Å; M369-A398 HydrophobicContact CE-CB 3.8Å; M369-A398 HydrophobicContact SD-CB 3.63Å; M369-V831 HydrophobicContact CG-CG1 4.12Å; M369-V831 HydrophobicContact CG-CG2 3.84Å
370	C	87.3	Confident	85.6	Confident	20 Å²	20	57.6 Å²	57.6	14%	0.135	28%	0.279	C	S	.	.	H	α-helix	trans	-92.2	-14.1	179.2	-68.2	0	0	0	0	113.8	S366 M367 E368 Q372 C395 R399	S366-C370 WeakPolarHBondContact O-CB 3.4Å; S366-C370 PolarHBondContact O-N 2.97Å; S366-C370 VanDerWaalsContact O-N 3.1Å; S366-C370 PolarHBondContact O-SG 2.69Å; M367-C370 CarbonylContact O-C 3.54Å; M367-C370 PolarHBondContact O-N 3.06Å; M367-C370 VanDerWaalsContact O-N 3.12Å; E368-C370 VanDerWaalsContact C-N 3.26Å; E368-C370 PolarHBondContact O-N 3.15Å; C370-Q372 PolarHBondContact O-N 3.45Å; C370-C395 HydrophobicContact CB-CB 3.91Å; C370-C395 WeakPolarHBondContact CB-SG 3.32Å; C370-C395 VanDerWaalsContact SG-CA 3.6Å; C370-C395 WeakPolarHBondContact SG-CB 3.48Å; C370-C395 CovalentContact SG-SG 2.03Å; C370-C395 PolarHBondContact SG-SG 3Å; C370-R399 PolarHBondContact SG-NE 2.85Å
371	D	87.6	Confident	85.1	Confident	59 Å²	59	58.7 Å²	58.7	32%	0.316	28%	0.284	S	S	.	.			trans	-69.1	113.7	-178.8	-176.7	12	0	0	0	111.5	M367 E368 R373 Q374	M367-D371 PolarHBondContact O-N 3.49Å; E368-D371 PolarHBondContact O-N 3.09Å; D371-R373 PolarHBondContact O-N 3.2Å; D371-R373 VanDerWaalsContact OD1-CB 3.31Å; D371-R373 WeakPolarHBondContact OD1-CB 3.39Å; D371-R373 WeakPolarHBondContact OD1-CG 3.43Å; D371-R373 PolarHBondContact OD1-N 3.02Å; D371-Q374 PolarHBondContact O-N 3.2Å
372	Q	81	Confident	84.6	Confident	159 Å²	159	55.6 Å²	55.6	74%	0.743	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.6	179.1	-62.5	-176.4	-1.2	0	0	113.3	C370 Q374	C370-Q372 PolarHBondContact O-N 3.45Å; Q372-Q374 VanDerWaalsContact C-N 3.29Å
373	R	79.7	Confident	84.3	Confident	222 Å²	222	50.3 Å²	50.3	84%	0.838	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.1	177.2	-60.7	174.1	177.2	-171.3	-0.3	112	D371 N375	D371-R373 PolarHBondContact O-N 3.2Å; D371-R373 VanDerWaalsContact OD1-CB 3.31Å; D371-R373 WeakPolarHBondContact OD1-CB 3.39Å; D371-R373 WeakPolarHBondContact OD1-CG 3.43Å; D371-R373 PolarHBondContact OD1-N 3.02Å; R373-N375 PolarHBondContact O-N 3.1Å
374	Q	72.7	Confident	83.8	Confident	74 Å²	74	54 Å²	54	35%	0.346	26%	0.261	S	S	.	.	S	Bend	trans	-87	95.6	175.8	-58.6	-162.7	27	0	0	110.2	D371 Q372 I376	D371-Q374 PolarHBondContact O-N 3.2Å; Q372-Q374 VanDerWaalsContact C-N 3.29Å; Q374-I376 HydrophobicContact CB-CD1 4.28Å; Q374-I376 HydrophobicContact CB-CG1 4.19Å; Q374-I376 PolarHBondContact O-N 3.33Å
375	N	78.6	Confident	83.2	Confident	110 Å²	110	53.6 Å²	53.6	59%	0.588	26%	0.261	S	S	*	.			trans	-72.2	58.5	176.3	-79.8	-47.7	0	0	0	112.5	R373 T377	R373-N375 PolarHBondContact O-N 3.1Å; N375-T377 PolarHBondContact O-N 3.45Å
376	I	86.8	Confident	82.7	Confident	18 Å²	18	55.1 Å²	55.1	9%	0.092	27%	0.271	C	S	.	.			trans	-80.1	111.4	177.8	-57	176.3	0	0	0	109.7	Q374 M378 M391 L835 R863	Q374-I376 HydrophobicContact CB-CD1 4.28Å; Q374-I376 HydrophobicContact CB-CG1 4.19Å; Q374-I376 PolarHBondContact O-N 3.33Å; I376-M378 HydrophobicContact CG2-SD 4.22Å; I376-M391 HydrophobicContact CB-CB 4.22Å; I376-M391 PolarHBondContact O-N 2.86Å; I376-M391 VanDerWaalsContact O-N 3.14Å; I376-L835 HydrophobicContact CD1-CD1 4.45Å; I376-L835 HydrophobicContact CG2-CD1 4Å; I376-R863 HydrophobicContact CG2-CB 4.28Å; I376-R863 HydrophobicContact CG2-CG 4.19Å
377	T	89.7	Confident	82.5	Confident	18 Å²	18	56.3 Å²	56.3	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	128.8	170.4	41.2	0	0	0	0	111	N375 L855 Y857 V859 I861 R863	N375-T377 PolarHBondContact O-N 3.45Å; T377-L855 HydrophobicContact CG2-CD1 4.2Å; T377-Y857 HydrophobicContact CG2-CE2 3.97Å; T377-Y857 WeakPolarHBondContact CG2-OH 3.24Å; T377-V859 HydrophobicContact CG2-CG1 4.19Å; T377-V859 HydrophobicContact CG2-CG2 4.17Å; T377-I861 PolarHBondContact OG1-O 2.78Å; T377-R863 WeakPolarHBondContact O-CB 3.29Å; T377-R863 PolarHBondContact O-N 3.31Å
378	M	88.1	Confident	82.4	Confident	11 Å²	11	53 Å²	53	5%	0.054	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	145.2	176.8	-64.6	-65.3	-66.5	0	0	111.1	I376 W389 M391 L835 R863	I376-M378 HydrophobicContact CG2-SD 4.22Å; M378-W389 HydrophobicContact CB-CD2 3.62Å; M378-W389 HydrophobicContact CB-CE3 4.08Å; M378-W389 HydrophobicContact CB-CG 4.12Å; M378-W389 HydrophobicContact CB-CH2 3.88Å; M378-W389 HydrophobicContact CB-CZ2 3.41Å; M378-W389 VanDerWaalsContact CB-CZ2 3.41Å; M378-W389 HydrophobicContact CB-CZ3 4.19Å; M378-W389 WeakPolarHBondContact CB-O 3.32Å; M378-W389 HydrophobicContact CE-CH2 3.94Å; M378-W389 HydrophobicContact CE-CZ2 3.88Å; M378-W389 HydrophobicContact CG-CD2 4.21Å; M378-W389 HydrophobicContact CG-CE3 4.14Å; M378-W389 HydrophobicContact CG-CH2 3.67Å; M378-W389 HydrophobicContact CG-CZ2 3.75Å; M378-W389 HydrophobicContact CG-CZ3 3.88Å; M378-W389 PolarHBondContact N-O 2.95Å; M378-W389 PolarHBondContact O-N 2.88Å; M378-M391 HydrophobicContact CE-CE 3.9Å; M378-M391 HydrophobicContact CG-CB 4.49Å; M378-M391 HydrophobicContact CG-CE 4.1Å; M378-M391 HydrophobicContact SD-CE 3.49Å; M378-M391 WeakPolarHBondContact SD-CE 3.25Å; M378-L835 HydrophobicContact CE-CD2 3.81Å; M378-L835 HydrophobicContact SD-CD1 4.24Å; M378-L835 HydrophobicContact SD-CD2 3.99Å; M378-R863 WeakPolarHBondContact CA-O 3.39Å; M378-R863 WeakPolarHBondContact CE-O 3.46Å; M378-R863 HydrophobicContact SD-CB 3.85Å
379	C	88.6	Confident	82.3	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.054	26%	0.264	C	S	.	.			trans	-66.2	151.8	179.3	-57.1	0	0	0	0	112	W389 P636 C862 R863	C379-W389 PolarHBondContact O-NE1 3.08Å; C379-P636 HydrophobicContact CB-CG 4.46Å; C379-C862 VanDerWaalsContact CA-SG 3.51Å; C379-C862 HydrophobicContact CB-CB 3.98Å; C379-C862 WeakPolarHBondContact CB-SG 3.24Å; C379-C862 WeakPolarHBondContact SG-CB 3.46Å; C379-C862 CovalentContact SG-SG 2.05Å; C379-C862 PolarHBondContact SG-SG 2.82Å; C379-R863 PolarHBondContact N-O 3.24Å; C379-R863 PolarHBondContact SG-O 2.94Å; C379-R863 VanDerWaalsContact SG-O 3.39Å
380	P	85.2	Confident	82.3	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.013	27%	0.271	C	S	.	.			trans	-70.3	136.2	-177.7	28.5	-34.9	0	0	0	112.2	C382 C386 Y388 R647 F843 P849	P380-C382 VanDerWaalsContact C-N 3.31Å; P380-C382 PolarHBondContact O-N 3.11Å; P380-C386 HydrophobicContact CB-CB 4.03Å; P380-C386 WeakPolarHBondContact CB-O 3.36Å; P380-Y388 HydrophobicContact CG-CE1 4.46Å; P380-R647 PolarHBondContact O-NH1 3.47Å; P380-R647 PolarHBondContact O-NH2 3.25Å; P380-F843 HydrophobicContact CG-CZ 4.45Å; P380-P849 HydrophobicContact CG-CG 4.49Å
381	L	78.1	Confident	82.2	Confident	45 Å²	45	55.2 Å²	55.2	24%	0.236	27%	0.268	C	S	.	.	S	Bend	trans	-82.6	-6	-175	-52.2	172.9	0	0	0	113.5	W389 E650	L381-W389 HydrophobicContact CD2-CZ2 4.17Å; L381-E650 WeakPolarHBondContact CD2-OE2 3.5Å
382	C	77.9	Confident	82	Confident	35 Å²	35	54.2 Å²	54.2	24%	0.236	27%	0.265	C	S	.	.	S	Bend	trans	-144.7	160.7	176.5	79.6	0	0	0	0	111.4	P380 T385 C386	P380-C382 VanDerWaalsContact C-N 3.31Å; P380-C382 PolarHBondContact O-N 3.11Å; C382-T385 PolarHBondContact SG-OG1 2.79Å; C382-T385 VanDerWaalsContact SG-OG1 3.35Å; C382-C386 HydrophobicContact CB-CB 4.12Å; C382-C386 WeakPolarHBondContact CB-SG 3.42Å; C382-C386 WeakPolarHBondContact SG-CB 3.32Å; C382-C386 PolarHBondContact SG-N 2.79Å; C382-C386 CovalentContact SG-SG 2.04Å; C382-C386 PolarHBondContact SG-SG 3.09Å
383	D	79.6	Confident	82.1	Confident	42 Å²	42	50.9 Å²	50.9	23%	0.225	26%	0.26	C	S	.	.	S	Bend	trans	-83.4	135.7	-173.7	-58.9	-1.5	0	0	0	110.2	T385 Y641 R647	D383-T385 PolarHBondContact O-N 3.01Å; D383-Y641 VanDerWaalsContact OD2-CE1 3.29Å; D383-Y641 WeakPolarHBondContact OD2-CE1 3.23Å; D383-Y641 PolarHBondContact OD2-OH 2.87Å; D383-R647 WeakPolarHBondContact OD1-CD 3.35Å; D383-R647 IonicContact OD1-CZ 3.09Å; D383-R647 IonicContact OD1-NE 3.66Å; D383-R647 IonicContact OD1-NH1 2.68Å; D383-R647 PolarHBondContact OD1-NH1 3.28Å
384	K	76.5	Confident	82.1	Confident	107 Å²	107	40.6 Å²	40.6	47%	0.465	22%	0.222	S	C	.	.	S	Bend	trans	63.6	-50	179.9	-54.6	-177.9	-178.3	179.9	0	117.4	G846 A848 N850	K384-G846 WeakPolarHBondContact CE-O 3.34Å; K384-G846 VanDerWaalsContact CG-O 3.25Å; K384-G846 WeakPolarHBondContact CG-O 3.43Å; K384-A848 WeakPolarHBondContact CA-O 3.48Å; K384-N850 WeakPolarHBondContact O-CB 3.12Å; K384-N850 PolarHBondContact O-N 2.71Å
385	T	74	Confident	82.8	Confident	41 Å²	41	38.4 Å²	38.4	25%	0.252	22%	0.215	S	C	.	.	S	Bend	trans	-92.6	-14.2	-165.7	55.1	0	0	0	0	115.5	C382 D383 R557	C382-T385 PolarHBondContact SG-OG1 2.79Å; C382-T385 VanDerWaalsContact SG-OG1 3.35Å; D383-T385 PolarHBondContact O-N 3.01Å; T385-R557 PolarHBondContact O-NH2 2.72Å; T385-R557 VanDerWaalsContact O-NH2 3.14Å
386	C	77.3	Confident	83	Confident	40 Å²	40	36.8 Å²	36.8	27%	0.27	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-92.9	127.4	175.5	-69.6	0	0	0	0	110.8	P380 C382 P849	P380-C386 HydrophobicContact CB-CB 4.03Å; P380-C386 WeakPolarHBondContact CB-O 3.36Å; C382-C386 HydrophobicContact CB-CB 4.12Å; C382-C386 WeakPolarHBondContact CB-SG 3.42Å; C382-C386 WeakPolarHBondContact SG-CB 3.32Å; C382-C386 PolarHBondContact SG-N 2.79Å; C382-C386 CovalentContact SG-SG 2.04Å; C382-C386 PolarHBondContact SG-SG 3.09Å; C386-P849 VanDerWaalsContact O-CB 3.27Å; C386-P849 WeakPolarHBondContact O-CB 3.42Å
387	S	82.7	Confident	82.8	Confident	29 Å²	29	38.6 Å²	38.6	20%	0.203	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-77	170.1	167.5	50.6	0	0	0	0	112.3	D854	S387-D854 WeakPolarHBondContact CB-OD2 3.33Å; S387-D854 PolarHBondContact OG-OD2 2.67Å
388	Y	85.9	Confident	82.5	Confident	14 Å²	14	38.1 Å²	38.1	6%	0.055	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-64.4	146.5	168.5	-60.8	-73.7	0	0	0	110.8	P380 V840 P849 P852 V859 C862	P380-Y388 HydrophobicContact CG-CE1 4.46Å; Y388-V840 HydrophobicContact CE1-CG1 4.23Å; Y388-V840 WeakPolarHBondContact OH-CG1 3.32Å; Y388-P849 HydrophobicContact CD2-CG 4.33Å; Y388-P849 HydrophobicContact CE1-CG 4.46Å; Y388-P849 HydrophobicContact CE2-CG 3.67Å; Y388-P852 HydrophobicContact CE2-CB 4.39Å; Y388-V859 HydrophobicContact CD1-CG1 4.15Å; Y388-V859 HydrophobicContact CD2-CB 3.94Å; Y388-V859 HydrophobicContact CD2-CG1 4.35Å; Y388-V859 HydrophobicContact CD2-CG2 3.74Å; Y388-V859 HydrophobicContact CE1-CG1 4.18Å; Y388-V859 HydrophobicContact CE2-CB 3.91Å; Y388-V859 HydrophobicContact CE2-CG1 4.37Å; Y388-V859 HydrophobicContact CE2-CG2 4.22Å; Y388-V859 HydrophobicContact CG-CB 4.3Å; Y388-V859 HydrophobicContact CG-CG1 4.25Å; Y388-V859 HydrophobicContact CG-CG2 4.05Å; Y388-C862 HydrophobicContact CD1-CB 4.12Å; Y388-C862 HydrophobicContact CE1-CB 4.02Å
389	W	84.1	Confident	82.4	Confident	40 Å²	40	41.5 Å²	41.5	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149.1	-178.2	57.9	-76	0	0	0	112	M378 C379 L381 M391 A394 P653	M378-W389 HydrophobicContact CB-CD2 3.62Å; M378-W389 HydrophobicContact CB-CE3 4.08Å; M378-W389 HydrophobicContact CB-CG 4.12Å; M378-W389 HydrophobicContact CB-CH2 3.88Å; M378-W389 HydrophobicContact CB-CZ2 3.41Å; M378-W389 VanDerWaalsContact CB-CZ2 3.41Å; M378-W389 HydrophobicContact CB-CZ3 4.19Å; M378-W389 WeakPolarHBondContact CB-O 3.32Å; M378-W389 HydrophobicContact CE-CH2 3.94Å; M378-W389 HydrophobicContact CE-CZ2 3.88Å; M378-W389 HydrophobicContact CG-CD2 4.21Å; M378-W389 HydrophobicContact CG-CE3 4.14Å; M378-W389 HydrophobicContact CG-CH2 3.67Å; M378-W389 HydrophobicContact CG-CZ2 3.75Å; M378-W389 HydrophobicContact CG-CZ3 3.88Å; M378-W389 PolarHBondContact N-O 2.95Å; M378-W389 PolarHBondContact O-N 2.88Å; C379-W389 PolarHBondContact O-NE1 3.08Å; L381-W389 HydrophobicContact CD2-CZ2 4.17Å; W389-M391 HydrophobicContact CH2-SD 4.43Å; W389-M391 HydrophobicContact CZ3-SD 4.22Å; W389-A394 HydrophobicContact CZ3-CB 4.15Å; W389-P653 HydrophobicContact CE3-CG 4.36Å; W389-P653 HydrophobicContact CH2-CB 3.62Å; W389-P653 HydrophobicContact CH2-CG 3.43Å; W389-P653 VanDerWaalsContact CH2-CG 3.43Å; W389-P653 HydrophobicContact CZ2-CG 4.01Å; W389-P653 HydrophobicContact CZ3-CB 3.8Å; W389-P653 HydrophobicContact CZ3-CG 3.63Å
390	K	86.5	Confident	82.2	Confident	71 Å²	71	42.7 Å²	42.7	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	139	176.6	-64.7	-168.2	179.5	-167.5	0	110.8	S392 S393 L855	K390-S392 VanDerWaalsContact C-N 3.26Å; K390-S392 PolarHBondContact O-N 2.86Å; K390-S393 WeakPolarHBondContact O-CB 3.37Å; K390-S393 PolarHBondContact O-N 3.36Å; K390-S393 VanDerWaalsContact O-N 3.13Å; K390-S393 PolarHBondContact O-OG 3.34Å; K390-L855 HydrophobicContact CD-CD2 4.48Å; K390-L855 HydrophobicContact CG-CD2 3.86Å
391	M	85.1	Confident	82.1	Confident	14 Å²	14	43 Å²	43	7%	0.069	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-54.7	-40	178.2	-173.7	60.9	88	0	0	113.1	M369 I376 M378 W389 S393 A394 L835	M369-M391 HydrophobicContact CB-CG 4.41Å; M369-M391 HydrophobicContact CE-CG 4.49Å; M369-M391 HydrophobicContact CE-SD 3.6Å; M369-M391 HydrophobicContact CG-CG 4.41Å; I376-M391 HydrophobicContact CB-CB 4.22Å; I376-M391 PolarHBondContact O-N 2.86Å; I376-M391 VanDerWaalsContact O-N 3.14Å; M378-M391 HydrophobicContact CE-CE 3.9Å; M378-M391 HydrophobicContact CG-CB 4.49Å; M378-M391 HydrophobicContact CG-CE 4.1Å; M378-M391 HydrophobicContact SD-CE 3.49Å; M378-M391 WeakPolarHBondContact SD-CE 3.25Å; W389-M391 HydrophobicContact CH2-SD 4.43Å; W389-M391 HydrophobicContact CZ3-SD 4.22Å; M391-S393 PolarHBondContact O-N 3.41Å; M391-S393 VanDerWaalsContact O-N 3.1Å; M391-A394 WeakPolarHBondContact O-CB 3.45Å; M391-A394 PolarHBondContact O-N 3.06Å; M391-L835 HydrophobicContact CE-CD1 3.69Å; M391-L835 HydrophobicContact CE-CD2 4.07Å; M391-L835 HydrophobicContact CE-CG 4.45Å
392	S	84.9	Confident	82.5	Confident	38 Å²	38	41.4 Å²	41.4	27%	0.266	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-60	-23.1	-178.9	55.2	0	0	0	0	114.8	M369 K390 A394 C395	M369-S392 WeakPolarHBondContact O-CA 3.28Å; K390-S392 VanDerWaalsContact C-N 3.26Å; K390-S392 PolarHBondContact O-N 2.86Å; S392-A394 PolarHBondContact O-N 2.83Å; S392-C395 WeakPolarHBondContact O-CB 3.19Å; S392-C395 PolarHBondContact O-N 3.14Å
393	S	82.8	Confident	82.8	Confident	90 Å²	90	41.1 Å²	41.1	63%	0.629	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-64.4	-23.7	172.4	68.8	0	0	0	0	113.3	K390 M391	K390-S393 WeakPolarHBondContact O-CB 3.37Å; K390-S393 PolarHBondContact O-N 3.36Å; K390-S393 VanDerWaalsContact O-N 3.13Å; K390-S393 PolarHBondContact O-OG 3.34Å; M391-S393 PolarHBondContact O-N 3.41Å; M391-S393 VanDerWaalsContact O-N 3.1Å
394	A	80.4	Confident	82.9	Confident	5 Å²	5	40.2 Å²	40.2	4%	0.041	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-86.5	-5.1	177.6	0	0	0	0	0	114.2	W389 M391 S392 A396 T397 A398 P653	W389-A394 HydrophobicContact CZ3-CB 4.15Å; M391-A394 WeakPolarHBondContact O-CB 3.45Å; M391-A394 PolarHBondContact O-N 3.06Å; S392-A394 PolarHBondContact O-N 2.83Å; A394-A396 VanDerWaalsContact C-N 3.29Å; A394-A396 PolarHBondContact O-N 3.09Å; A394-A396 VanDerWaalsContact O-N 3.13Å; A394-T397 WeakPolarHBondContact O-CA 3.42Å; A394-T397 PolarHBondContact O-N 2.84Å; A394-T397 PolarHBondContact O-OG1 3.38Å; A394-A398 PolarHBondContact O-N 3.44Å; A394-P653 HydrophobicContact CB-CB 3.4Å; A394-P653 VanDerWaalsContact CB-CB 3.4Å; A394-P653 HydrophobicContact CB-CG 4.17Å
395	C	86.4	Confident	83.3	Confident	28 Å²	28	35.5 Å²	35.5	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-46.8	-46.2	-173.8	169.6	0	0	0	0	113.6	C370 S392 T397 A398 R399	C370-C395 HydrophobicContact CB-CB 3.91Å; C370-C395 WeakPolarHBondContact CB-SG 3.32Å; C370-C395 VanDerWaalsContact SG-CA 3.6Å; C370-C395 WeakPolarHBondContact SG-CB 3.48Å; C370-C395 CovalentContact SG-SG 2.03Å; C370-C395 PolarHBondContact SG-SG 3Å; S392-C395 WeakPolarHBondContact O-CB 3.19Å; S392-C395 PolarHBondContact O-N 3.14Å; C395-T397 VanDerWaalsContact C-N 3.33Å; C395-T397 PolarHBondContact O-N 3.04Å; C395-A398 PolarHBondContact O-N 2.85Å; C395-R399 WeakPolarHBondContact O-CG 3.5Å; C395-R399 PolarHBondContact O-N 3.31Å
396	A	83.6	Confident	83.9	Confident	76 Å²	76	33.7 Å²	33.7	63%	0.628	20%	0.201	S	C	*	.	H	α-helix	trans	-60.8	-39.7	178	0	0	0	0	0	112.9	A394 A400	A394-A396 VanDerWaalsContact C-N 3.29Å; A394-A396 PolarHBondContact O-N 3.09Å; A394-A396 VanDerWaalsContact O-N 3.13Å; A396-A400 WeakPolarHBondContact O-CB 3.17Å; A396-A400 PolarHBondContact O-N 3.46Å
397	T	81.3	Confident	84.4	Confident	57 Å²	57	35.4 Å²	35.4	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-72.9	-31.8	177.2	67	0	0	0	0	112.7	A394 C395 S401 G654	A394-T397 WeakPolarHBondContact O-CA 3.42Å; A394-T397 PolarHBondContact O-N 2.84Å; A394-T397 PolarHBondContact O-OG1 3.38Å; C395-T397 VanDerWaalsContact C-N 3.33Å; C395-T397 PolarHBondContact O-N 3.04Å; T397-S401 WeakPolarHBondContact O-CB 3.39Å; T397-S401 PolarHBondContact O-N 3.24Å; T397-G654 PolarHBondContact OG1-N 3.35Å
398	A	82.8	Confident	84.9	Confident	7 Å²	7	35.1 Å²	35.1	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-45.3	175	0	0	0	0	0	112	M369 A394 C395 S401 H402	M369-A398 HydrophobicContact CB-CB 4.27Å; M369-A398 HydrophobicContact CE-CB 3.8Å; M369-A398 HydrophobicContact SD-CB 3.63Å; A394-A398 PolarHBondContact O-N 3.44Å; C395-A398 PolarHBondContact O-N 2.85Å; A398-S401 WeakPolarHBondContact O-CB 3.5Å; A398-S401 PolarHBondContact O-N 2.92Å; A398-H402 PolarHBondContact O-N 2.98Å; A398-H402 VanDerWaalsContact O-N 3.12Å
399	R	86.5	Confident	85.1	Confident	82 Å²	82	34.7 Å²	34.7	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-45.1	173	-73	178.4	173.8	-131.8	-12.1	111.8	V360 D361 M367 C370 C395 S401 H402 L403	V360-R399 HydrophobicContact CG1-CB 3.82Å; V360-R399 HydrophobicContact CG1-CG 3.99Å; D361-R399 IonicContact OD1-CZ 3.26Å; D361-R399 VanDerWaalsContact OD1-CZ 3.26Å; D361-R399 IonicContact OD1-NH1 2.81Å; D361-R399 PolarHBondContact OD1-NH1 3.03Å; D361-R399 IonicContact OD1-NH2 3.25Å; D361-R399 PolarHBondContact OD1-NH2 2.82Å; M367-R399 PolarHBondContact SD-NH2 2.77Å; M367-R399 VanDerWaalsContact SD-NH2 3.44Å; C370-R399 PolarHBondContact SG-NE 2.85Å; C395-R399 WeakPolarHBondContact O-CG 3.5Å; C395-R399 PolarHBondContact O-N 3.31Å; R399-S401 VanDerWaalsContact C-N 3.31Å; R399-S401 PolarHBondContact O-N 3.29Å; R399-H402 PolarHBondContact O-N 2.93Å; R399-L403 PolarHBondContact O-N 3.01Å
400	A	83.9	Confident	85.5	Confident	33 Å²	33	34 Å²	34	27%	0.273	21%	0.21	S	C	.	.	H	α-helix	trans	-63.2	-35.6	174.8	0	0	0	0	0	112.4	A396 L403 F404 M658	A396-A400 WeakPolarHBondContact O-CB 3.17Å; A396-A400 PolarHBondContact O-N 3.46Å; A400-L403 WeakPolarHBondContact O-CB 3.41Å; A400-L403 PolarHBondContact O-N 2.95Å; A400-F404 VanDerWaalsContact O-CD2 3.32Å; A400-F404 WeakPolarHBondContact O-CD2 3.34Å; A400-M658 VanDerWaalsContact C-SD 3.59Å; A400-M658 HydrophobicContact CB-CE 3.95Å; A400-M658 HydrophobicContact CB-SD 4.12Å; A400-M658 VanDerWaalsContact O-SD 3.35Å
401	S	84.9	Confident	85.9	Confident	10 Å²	10	36.7 Å²	36.7	7%	0.07	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-43.8	176.5	-160.2	0	0	0	0	111.9	T397 A398 R399 L403 F404 D405 G654	T397-S401 WeakPolarHBondContact O-CB 3.39Å; T397-S401 PolarHBondContact O-N 3.24Å; A398-S401 WeakPolarHBondContact O-CB 3.5Å; A398-S401 PolarHBondContact O-N 2.92Å; R399-S401 VanDerWaalsContact C-N 3.31Å; R399-S401 PolarHBondContact O-N 3.29Å; S401-L403 PolarHBondContact O-N 2.89Å; S401-F404 PolarHBondContact O-N 3.36Å; S401-F404 VanDerWaalsContact O-N 3.09Å; S401-D405 WeakPolarHBondContact O-CB 3.15Å; S401-D405 PolarHBondContact O-N 2.81Å; S401-G654 VanDerWaalsContact CB-O 3.25Å; S401-G654 WeakPolarHBondContact CB-O 3.41Å; S401-G654 PolarHBondContact OG-O 3.14Å
402	H	86.3	Confident	86.4	Confident	10 Å²	10	36 Å²	36	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-59.9	-31	177.9	-174.7	-104.5	0	0	0	113.9	T359 N363 A398 R399 F404 D405	T359-H402 PolarHBondContact O-CE1 2.97Å; N363-H402 PolarHBondContact ND2-CD2 3.02Å; N363-H402 VanDerWaalsContact ND2-CD2 3.3Å; A398-H402 PolarHBondContact O-N 2.98Å; A398-H402 VanDerWaalsContact O-N 3.12Å; R399-H402 PolarHBondContact O-N 2.93Å; H402-F404 PolarHBondContact O-N 2.95Å; H402-D405 CarbonylContact O-C 3.58Å; H402-D405 PolarHBondContact O-N 2.72Å
403	L	84	Confident	86.8	Confident	30 Å²	30	34.3 Å²	34.3	16%	0.157	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-33.5	176.4	-179.6	56.5	0	0	0	112.6	F353 C357 R399 A400 S401 N406	F353-L403 HydrophobicContact CD2-CD1 3.95Å; F353-L403 HydrophobicContact CD2-CD2 4.48Å; F353-L403 HydrophobicContact CD2-CG 4.04Å; F353-L403 HydrophobicContact CE2-CD1 3.76Å; F353-L403 HydrophobicContact CE2-CD2 3.53Å; F353-L403 HydrophobicContact CE2-CG 3.56Å; F353-L403 HydrophobicContact CG-CD1 4.46Å; F353-L403 HydrophobicContact CZ-CD1 4.1Å; F353-L403 HydrophobicContact CZ-CD2 3.72Å; F353-L403 HydrophobicContact CZ-CG 4.14Å; F353-L403 WeakPolarHBondContact O-CD1 3.25Å; C357-L403 HydrophobicContact CB-CD1 4.3Å; C357-L403 WeakPolarHBondContact SG-CD1 3.49Å; R399-L403 PolarHBondContact O-N 3.01Å; A400-L403 WeakPolarHBondContact O-CB 3.41Å; A400-L403 PolarHBondContact O-N 2.95Å; S401-L403 PolarHBondContact O-N 2.89Å; L403-N406 PolarHBondContact O-ND2 2.98Å
404	F	81.6	Confident	87.4	Confident	23 Å²	23	31.6 Å²	31.6	10%	0.101	19%	0.187	C	C	.	.	H	α-helix	trans	-105.5	-26.3	179.8	-57.9	-78	0	0	0	113.2	F353 A400 S401 H402 N406 T409 L657 M658 F746	F353-F404 HydrophobicContact CD2-CE1 4.08Å; F353-F404 AromaticContact CE2-CE1 3.76Å; F353-F404 HydrophobicContact CE2-CE1 3.76Å; F353-F404 AromaticContact CE2-CZ 3.87Å; F353-F404 HydrophobicContact CE2-CZ 3.87Å; A400-F404 VanDerWaalsContact O-CD2 3.32Å; A400-F404 WeakPolarHBondContact O-CD2 3.34Å; S401-F404 PolarHBondContact O-N 3.36Å; S401-F404 VanDerWaalsContact O-N 3.09Å; H402-F404 PolarHBondContact O-N 2.95Å; F404-N406 PolarHBondContact O-N 2.68Å; F404-T409 WeakPolarHBondContact O-CG2 3.49Å; F404-L657 HydrophobicContact CB-CD2 3.72Å; F404-M658 HydrophobicContact CD2-CE 4.3Å; F404-M658 HydrophobicContact CD2-SD 3.49Å; F404-M658 WeakPolarHBondContact CD2-SD 3.49Å; F404-M658 HydrophobicContact CE2-CE 3.98Å; F404-M658 HydrophobicContact CE2-SD 3.8Å; F404-F746 HydrophobicContact CD1-CD2 4.1Å; F404-F746 AromaticContact CE1-CD2 3.72Å; F404-F746 HydrophobicContact CE1-CD2 3.72Å; F404-F746 AromaticContact CE1-CE2 3.83Å; F404-F746 HydrophobicContact CE1-CE2 3.83Å; F404-F746 HydrophobicContact CZ-CE2 4.47Å
405	D	84.2	Confident	88.2	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.037	20%	0.196	C	C	.	.	S	Bend	trans	-102.8	59.7	179.7	-171.1	35.3	0	0	0	111.5	S401 H402 L657 S809 D810 R814	S401-D405 WeakPolarHBondContact O-CB 3.15Å; S401-D405 PolarHBondContact O-N 2.81Å; H402-D405 CarbonylContact O-C 3.58Å; H402-D405 PolarHBondContact O-N 2.72Å; D405-L657 HydrophobicContact CB-CD1 4.41Å; D405-S809 VanDerWaalsContact OD1-CB 3.24Å; D405-S809 WeakPolarHBondContact OD1-CB 3.5Å; D405-S809 PolarHBondContact OD1-OG 2.99Å; D405-D810 PolarHBondContact OD2-N 3.42Å; D405-R814 PolarHBondContact O-NH1 3.18Å; D405-R814 IonicContact OD2-CZ 2.97Å; D405-R814 VanDerWaalsContact OD2-CZ 3.31Å; D405-R814 IonicContact OD2-NH1 3.26Å; D405-R814 PolarHBondContact OD2-NH1 3.43Å; D405-R814 IonicContact OD2-NH2 2.69Å; D405-R814 PolarHBondContact OD2-NH2 2.97Å
406	N	86.3	Confident	88.6	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	19%	0.188	C	C	.	.	S	Bend	trans	-111	155.3	179.3	73.7	59.5	0	0	0	111.8	L403 F404 A408 T409	L403-N406 PolarHBondContact O-ND2 2.98Å; F404-N406 PolarHBondContact O-N 2.68Å; N406-A408 PolarHBondContact O-N 3.47Å; N406-A408 VanDerWaalsContact O-N 3.08Å; N406-A408 WeakPolarHBondContact OD1-CA 3.36Å; N406-A408 VanDerWaalsContact OD1-CB 3.29Å; N406-A408 WeakPolarHBondContact OD1-CB 3.24Å; N406-A408 PolarHBondContact OD1-N 3.37Å; N406-T409 PolarHBondContact O-N 2.89Å; N406-T409 PolarHBondContact O-OG1 3.37Å; N406-T409 PolarHBondContact OD1-N 3.48Å; N406-T409 VanDerWaalsContact OD1-N 3.12Å
407	P	89	Confident	89.1	Confident	76 Å²	76	29.8 Å²	29.8	49%	0.494	16%	0.164	S	C	.	.	H	α-helix	trans	-59.1	-24.4	-178.3	-26.7	36	0	0	0	115.1	T409 V410 F811	P407-T409 VanDerWaalsContact C-N 3.33Å; P407-V410 PolarHBondContact O-N 3.5Å; P407-F811 HydrophobicContact CB-CE2 4.45Å
408	A	92.1	Very high	89.8	Confident	24 Å²	24	29 Å²	29	20%	0.198	16%	0.157	C	C	.	.	H	α-helix	trans	-75.7	-17.3	178.4	0	0	0	0	0	113.2	V352 Y355 N406 V410 F411 F412	V352-A408 HydrophobicContact CG1-CB 4.14Å; V352-A408 HydrophobicContact CG2-CB 4.37Å; Y355-A408 HydrophobicContact CD1-CB 3.81Å; Y355-A408 HydrophobicContact CE1-CB 4.08Å; N406-A408 PolarHBondContact O-N 3.47Å; N406-A408 VanDerWaalsContact O-N 3.08Å; N406-A408 WeakPolarHBondContact OD1-CA 3.36Å; N406-A408 VanDerWaalsContact OD1-CB 3.29Å; N406-A408 WeakPolarHBondContact OD1-CB 3.24Å; N406-A408 PolarHBondContact OD1-N 3.37Å; A408-V410 VanDerWaalsContact C-N 3.32Å; A408-F411 PolarHBondContact O-N 3.26Å; A408-F412 PolarHBondContact O-N 3.38Å
409	T	91	Very high	90.4	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-72.1	-26.1	172.9	68	0	0	0	0	112.7	V352 F404 N406 P407 F412 S413 P747	V352-T409 HydrophobicContact CG1-CG2 3.81Å; F404-T409 WeakPolarHBondContact O-CG2 3.49Å; N406-T409 PolarHBondContact O-N 2.89Å; N406-T409 PolarHBondContact O-OG1 3.37Å; N406-T409 PolarHBondContact OD1-N 3.48Å; N406-T409 VanDerWaalsContact OD1-N 3.12Å; P407-T409 VanDerWaalsContact C-N 3.33Å; T409-F412 PolarHBondContact O-N 2.87Å; T409-S413 PolarHBondContact O-N 2.76Å; T409-P747 HydrophobicContact CG2-CG 3.6Å
410	V	92.8	Very high	90.8	Very high	24 Å²	24	25.6 Å²	25.6	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-46.6	170.7	-176.6	0	0	0	0	110.2	P407 A408 F412 S413 V414 I805 F811 F893	P407-V410 PolarHBondContact O-N 3.5Å; A408-V410 VanDerWaalsContact C-N 3.32Å; V410-F412 VanDerWaalsContact C-N 3.33Å; V410-F412 PolarHBondContact O-N 3.01Å; V410-S413 PolarHBondContact O-N 2.82Å; V410-V414 PolarHBondContact O-N 3.5Å; V410-I805 HydrophobicContact CG1-CD1 4.43Å; V410-I805 HydrophobicContact CG2-CG2 3.97Å; V410-F811 HydrophobicContact CG2-CD1 4.21Å; V410-F811 HydrophobicContact CG2-CD2 4.31Å; V410-F811 HydrophobicContact CG2-CE1 4.18Å; V410-F811 HydrophobicContact CG2-CE2 4.28Å; V410-F811 HydrophobicContact CG2-CG 4.29Å; V410-F811 HydrophobicContact CG2-CZ 4.22Å; V410-F893 HydrophobicContact CG1-CZ 4.26Å
411	F	94.1	Very high	91.3	Very high	128 Å²	128	24.8 Å²	24.8	56%	0.561	14%	0.138	S	C	*	.	H	α-helix	trans	-58.8	-44.2	171	166.1	-98.3	0	0	0	111.5	V348 A408 S413 V414 F415	V348-F411 HydrophobicContact CG1-CE1 4.49Å; A408-F411 PolarHBondContact O-N 3.26Å; F411-S413 VanDerWaalsContact C-N 3.29Å; F411-S413 PolarHBondContact O-N 3Å; F411-V414 PolarHBondContact O-N 2.84Å; F411-F415 PolarHBondContact O-N 2.88Å
412	F	95.1	Very high	91.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-38.3	178.3	-168.8	-125.1	0	0	0	112.6	V348 V352 A408 T409 V410 F415 M416 V743 P747 P750	V348-F412 HydrophobicContact CB-CD2 4.37Å; V348-F412 HydrophobicContact CB-CE2 4Å; V348-F412 HydrophobicContact CG1-CD2 3.66Å; V348-F412 HydrophobicContact CG1-CE2 3.81Å; V352-F412 HydrophobicContact CG1-CB 4.35Å; V352-F412 HydrophobicContact CG2-CB 4.17Å; V352-F412 HydrophobicContact CG2-CD2 4.35Å; V352-F412 HydrophobicContact CG2-CG 4.4Å; A408-F412 PolarHBondContact O-N 3.38Å; T409-F412 PolarHBondContact O-N 2.87Å; V410-F412 VanDerWaalsContact C-N 3.33Å; V410-F412 PolarHBondContact O-N 3.01Å; F412-F415 AromaticContact CD2-CD1 3.87Å; F412-F415 HydrophobicContact CD2-CD1 3.87Å; F412-F415 AromaticContact CE2-CD1 3.8Å; F412-F415 HydrophobicContact CE2-CD1 3.8Å; F412-F415 HydrophobicContact CE2-CE1 4.07Å; F412-F415 PolarHBondContact O-N 3.45Å; F412-M416 HydrophobicContact CD1-CG 4.19Å; F412-M416 HydrophobicContact CD2-CG 4.2Å; F412-M416 HydrophobicContact CE1-CG 3.87Å; F412-M416 HydrophobicContact CE1-SD 4.4Å; F412-M416 HydrophobicContact CE2-CG 3.89Å; F412-M416 HydrophobicContact CE2-SD 4.01Å; F412-M416 HydrophobicContact CG-CG 4.35Å; F412-M416 HydrophobicContact CZ-CG 3.73Å; F412-M416 HydrophobicContact CZ-SD 3.77Å; F412-M416 WeakPolarHBondContact O-CB 3.22Å; F412-M416 VanDerWaalsContact O-CG 3.25Å; F412-M416 WeakPolarHBondContact O-CG 3.36Å; F412-M416 PolarHBondContact O-N 3.42Å; F412-V743 HydrophobicContact CD1-CG2 3.97Å; F412-V743 HydrophobicContact CE1-CG2 3.45Å; F412-V743 VanDerWaalsContact CE1-CG2 3.45Å; F412-V743 HydrophobicContact CZ-CG2 4.32Å; F412-P747 HydrophobicContact CD1-CB 3.93Å; F412-P747 HydrophobicContact CD1-CG 4.46Å; F412-P747 HydrophobicContact CE1-CB 3.95Å; F412-P747 WeakPolarHBondContact CE1-O 3.35Å; F412-P750 HydrophobicContact CZ-CG 4.13Å
413	S	94.4	Very high	92.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-42.6	176.5	-172.7	0	0	0	0	112.5	T409 V410 F411 M416 A417 N801	T409-S413 PolarHBondContact O-N 2.76Å; V410-S413 PolarHBondContact O-N 2.82Å; F411-S413 VanDerWaalsContact C-N 3.29Å; F411-S413 PolarHBondContact O-N 3Å; S413-M416 PolarHBondContact O-N 3.01Å; S413-A417 PolarHBondContact O-N 3.27Å; S413-A417 VanDerWaalsContact O-N 3.11Å; S413-N801 VanDerWaalsContact OG-CB 3.27Å; S413-N801 WeakPolarHBondContact OG-CB 3.32Å
414	V	95.1	Very high	92.6	Very high	34 Å²	34	25.3 Å²	25.3	21%	0.206	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-47.6	173.2	178.5	0	0	0	0	110.6	V410 F411 M416 A417 L418 F897 V901	V410-V414 PolarHBondContact O-N 3.5Å; F411-V414 PolarHBondContact O-N 2.84Å; V414-M416 VanDerWaalsContact C-N 3.29Å; V414-M416 PolarHBondContact O-N 2.98Å; V414-A417 PolarHBondContact O-N 2.82Å; V414-L418 HydrophobicContact CG1-CD1 4.29Å; V414-L418 WeakPolarHBondContact O-CG 3.46Å; V414-L418 PolarHBondContact O-N 2.94Å; V414-L418 VanDerWaalsContact O-N 3.14Å; V414-F897 HydrophobicContact CG2-CD2 4.49Å; V414-F897 HydrophobicContact CG2-CE2 3.66Å; V414-F897 HydrophobicContact CG2-CZ 4.1Å; V414-V901 HydrophobicContact CG1-CG2 4.32Å; V414-V901 HydrophobicContact CG2-CG2 3.98Å
415	F	95.9	Very high	93.2	Very high	51 Å²	51	24.4 Å²	24.4	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-55.9	-42.8	175.4	166.5	-93.2	0	0	0	112	A345 V348 F411 F412 A417 L418 W419	A345-F415 HydrophobicContact CB-CE1 4.47Å; V348-F415 HydrophobicContact CB-CD1 4.43Å; V348-F415 HydrophobicContact CB-CE1 4.02Å; V348-F415 HydrophobicContact CB-CZ 4.25Å; V348-F415 HydrophobicContact CG1-CD1 4.15Å; V348-F415 HydrophobicContact CG1-CE1 4.25Å; V348-F415 HydrophobicContact CG1-CG 4.47Å; V348-F415 HydrophobicContact CG2-CE1 4.17Å; V348-F415 HydrophobicContact CG2-CE2 4.24Å; V348-F415 HydrophobicContact CG2-CZ 3.87Å; F411-F415 PolarHBondContact O-N 2.88Å; F412-F415 AromaticContact CD2-CD1 3.87Å; F412-F415 HydrophobicContact CD2-CD1 3.87Å; F412-F415 AromaticContact CE2-CD1 3.8Å; F412-F415 HydrophobicContact CE2-CD1 3.8Å; F412-F415 HydrophobicContact CE2-CE1 4.07Å; F412-F415 PolarHBondContact O-N 3.45Å; F415-A417 PolarHBondContact O-N 3Å; F415-L418 PolarHBondContact O-N 3.2Å; F415-W419 HydrophobicContact CE1-CB 4.4Å; F415-W419 VanDerWaalsContact O-CB 3.27Å; F415-W419 WeakPolarHBondContact O-CB 3.39Å; F415-W419 PolarHBondContact O-N 3.06Å
416	M	95.8	Very high	93.6	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-70	-31	-178.7	-75.7	-63.1	-57.3	0	0	113.4	A345 F412 S413 V414 W419 A420 V739 V743 P750	A345-M416 HydrophobicContact CB-CE 4.34Å; A345-M416 HydrophobicContact CB-SD 3.79Å; F412-M416 HydrophobicContact CD1-CG 4.19Å; F412-M416 HydrophobicContact CD2-CG 4.2Å; F412-M416 HydrophobicContact CE1-CG 3.87Å; F412-M416 HydrophobicContact CE1-SD 4.4Å; F412-M416 HydrophobicContact CE2-CG 3.89Å; F412-M416 HydrophobicContact CE2-SD 4.01Å; F412-M416 HydrophobicContact CG-CG 4.35Å; F412-M416 HydrophobicContact CZ-CG 3.73Å; F412-M416 HydrophobicContact CZ-SD 3.77Å; F412-M416 WeakPolarHBondContact O-CB 3.22Å; F412-M416 VanDerWaalsContact O-CG 3.25Å; F412-M416 WeakPolarHBondContact O-CG 3.36Å; F412-M416 PolarHBondContact O-N 3.42Å; S413-M416 PolarHBondContact O-N 3.01Å; V414-M416 VanDerWaalsContact C-N 3.29Å; V414-M416 PolarHBondContact O-N 2.98Å; M416-W419 HydrophobicContact CE-CD2 4.1Å; M416-W419 HydrophobicContact CE-CE3 3.58Å; M416-W419 HydrophobicContact CE-CZ3 3.91Å; M416-W419 HydrophobicContact SD-CD2 4.45Å; M416-W419 HydrophobicContact SD-CE3 4.43Å; M416-W419 HydrophobicContact SD-CG 4.5Å; M416-A420 WeakPolarHBondContact O-CB 3.48Å; M416-A420 PolarHBondContact O-N 2.92Å; M416-V739 HydrophobicContact CE-CG1 3.85Å; M416-V743 HydrophobicContact CB-CG1 3.76Å; M416-V743 HydrophobicContact CB-CG2 4.42Å; M416-V743 HydrophobicContact CE-CG2 4.28Å; M416-V743 HydrophobicContact CG-CB 4.49Å; M416-V743 HydrophobicContact CG-CG1 4.02Å; M416-V743 HydrophobicContact CG-CG2 3.78Å; M416-P750 HydrophobicContact CE-CG 4.08Å; M416-P750 HydrophobicContact SD-CG 4.26Å
417	A	94.9	Very high	94	Very high	15 Å²	15	27.3 Å²	27.3	12%	0.124	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-42.7	170.8	0	0	0	0	0	112.1	S413 V414 F415 A420 A421 V798 V901	S413-A417 PolarHBondContact O-N 3.27Å; S413-A417 VanDerWaalsContact O-N 3.11Å; V414-A417 PolarHBondContact O-N 2.82Å; F415-A417 PolarHBondContact O-N 3Å; A417-A420 PolarHBondContact O-N 2.92Å; A417-A421 PolarHBondContact O-N 3.25Å; A417-A421 VanDerWaalsContact O-N 3.12Å; A417-V798 HydrophobicContact CB-CG2 4.08Å; A417-V901 HydrophobicContact CB-CG1 3.33Å
418	L	94.8	Very high	94.1	Very high	41 Å²	41	25.4 Å²	25.4	22%	0.215	14%	0.135	C	C	.	.	H	α-helix	trans	-67.4	-37.7	174.8	-61.5	174.9	0	0	0	112.2	V414 F415 A421 T422 M904 V908	V414-L418 HydrophobicContact CG1-CD1 4.29Å; V414-L418 WeakPolarHBondContact O-CG 3.46Å; V414-L418 PolarHBondContact O-N 2.94Å; V414-L418 VanDerWaalsContact O-N 3.14Å; F415-L418 PolarHBondContact O-N 3.2Å; L418-A421 PolarHBondContact O-N 3.13Å; L418-T422 WeakPolarHBondContact O-CB 3.47Å; L418-T422 PolarHBondContact O-N 3.24Å; L418-T422 PolarHBondContact O-OG1 2.94Å; L418-M904 HydrophobicContact CD1-CE 3.92Å; L418-M904 HydrophobicContact CD2-CB 3.68Å; L418-M904 HydrophobicContact CD2-CE 4.39Å; L418-V908 HydrophobicContact CD2-CG2 4.3Å
419	W	96.4	Very high	94.1	Very high	11 Å²	11	28.8 Å²	28.8	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-60.5	-44.8	172.4	171.1	89.3	0	0	0	111.1	Y338 M341 L342 A345 F415 M416 A421 T422 F423 F736 T740	Y338-W419 HydrophobicContact CE2-CH2 4.24Å; M341-W419 HydrophobicContact CB-CZ2 4.18Å; M341-W419 PolarHBondContact O-NE1 3.07Å; L342-W419 HydrophobicContact CD2-CH2 3.99Å; L342-W419 HydrophobicContact CD2-CZ2 3.92Å; L342-W419 HydrophobicContact CG-CZ2 4.32Å; A345-W419 HydrophobicContact CB-CD2 4.4Å; A345-W419 HydrophobicContact CB-CG 4.47Å; F415-W419 HydrophobicContact CE1-CB 4.4Å; F415-W419 VanDerWaalsContact O-CB 3.27Å; F415-W419 WeakPolarHBondContact O-CB 3.39Å; F415-W419 PolarHBondContact O-N 3.06Å; M416-W419 HydrophobicContact CE-CD2 4.1Å; M416-W419 HydrophobicContact CE-CE3 3.58Å; M416-W419 HydrophobicContact CE-CZ3 3.91Å; M416-W419 HydrophobicContact SD-CD2 4.45Å; M416-W419 HydrophobicContact SD-CE3 4.43Å; M416-W419 HydrophobicContact SD-CG 4.5Å; W419-A421 PolarHBondContact O-N 3.09Å; W419-T422 PolarHBondContact O-N 3.01Å; W419-F423 VanDerWaalsContact O-CB 3.32Å; W419-F423 WeakPolarHBondContact O-CB 3.37Å; W419-F423 PolarHBondContact O-N 3.12Å; W419-F736 HydrophobicContact CH2-CD2 4.47Å; W419-F736 HydrophobicContact CH2-CE2 4.19Å; W419-F736 HydrophobicContact CZ3-CD2 4.48Å; W419-F736 AromaticContact CZ3-CE2 3.89Å; W419-F736 HydrophobicContact CZ3-CE2 3.89Å; W419-T740 HydrophobicContact CZ3-CG2 4.04Å
420	A	95.3	Very high	94.1	Very high	6 Å²	6	32.1 Å²	32.1	5%	0.05	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-43.7	178.4	0	0	0	0	0	111.6	M416 A417 F423 M424 F736 T740	M416-A420 WeakPolarHBondContact O-CB 3.48Å; M416-A420 PolarHBondContact O-N 2.92Å; A417-A420 PolarHBondContact O-N 2.92Å; A420-F423 PolarHBondContact O-N 2.72Å; A420-M424 WeakPolarHBondContact O-CG 3.48Å; A420-M424 PolarHBondContact O-N 2.85Å; A420-F736 HydrophobicContact CB-CZ 4.36Å; A420-T740 HydrophobicContact CB-CG2 4.37Å
421	A	94.1	Very high	94	Very high	16 Å²	16	32.6 Å²	32.6	13%	0.132	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-52	172.3	0	0	0	0	0	111.3	A417 L418 W419 F423 M424 E425 V908	A417-A421 PolarHBondContact O-N 3.25Å; A417-A421 VanDerWaalsContact O-N 3.12Å; L418-A421 PolarHBondContact O-N 3.13Å; W419-A421 PolarHBondContact O-N 3.09Å; A421-F423 PolarHBondContact O-N 2.89Å; A421-M424 PolarHBondContact O-N 3.46Å; A421-E425 WeakPolarHBondContact O-CG 3.14Å; A421-E425 PolarHBondContact O-N 3.43Å; A421-V908 HydrophobicContact CB-CB 4.4Å; A421-V908 HydrophobicContact CB-CG1 4.26Å
422	T	94.1	Very high	93.8	Very high	50 Å²	50	28.5 Å²	28.5	31%	0.307	14%	0.14	S	C	.	.	H	α-helix	trans	-58.3	-34.5	179.1	-54.5	0	0	0	0	112.6	M341 L418 W419 E425 H426	M341-T422 HydrophobicContact CE-CG2 4.1Å; L418-T422 WeakPolarHBondContact O-CB 3.47Å; L418-T422 PolarHBondContact O-N 3.24Å; L418-T422 PolarHBondContact O-OG1 2.94Å; W419-T422 PolarHBondContact O-N 3.01Å; T422-E425 PolarHBondContact O-N 3.47Å; T422-H426 VanDerWaalsContact O-CB 3.25Å; T422-H426 WeakPolarHBondContact O-CB 3.28Å; T422-H426 PolarHBondContact O-N 3.38Å
423	F	95.4	Very high	93.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.6	-43.8	174.1	163.3	-111.6	0	0	0	112.1	W334 V337 Y338 M341 W419 A420 A421 E425 H426 W427 F736	W334-F423 HydrophobicContact CZ2-CZ 4.42Å; W334-F423 AromaticContact NE1-CZ 3.88Å; V337-F423 HydrophobicContact CG1-CD2 4.34Å; V337-F423 HydrophobicContact CG1-CE2 4.14Å; Y338-F423 HydrophobicContact CD2-CE2 4.17Å; Y338-F423 HydrophobicContact CD2-CZ 4Å; Y338-F423 HydrophobicContact CG-CE2 4.42Å; Y338-F423 HydrophobicContact CG-CZ 4.26Å; M341-F423 HydrophobicContact CB-CD2 4.07Å; M341-F423 HydrophobicContact CE-CB 4.35Å; M341-F423 HydrophobicContact CG-CD2 4.06Å; W419-F423 VanDerWaalsContact O-CB 3.32Å; W419-F423 WeakPolarHBondContact O-CB 3.37Å; W419-F423 PolarHBondContact O-N 3.12Å; A420-F423 PolarHBondContact O-N 2.72Å; A421-F423 PolarHBondContact O-N 2.89Å; F423-E425 VanDerWaalsContact C-N 3.34Å; F423-E425 PolarHBondContact O-N 3.33Å; F423-H426 PolarHBondContact O-N 3.08Å; F423-W427 WeakPolarHBondContact O-CB 3.48Å; F423-W427 PolarHBondContact O-N 2.69Å; F423-F736 AromaticContact CD1-CE2 3.83Å; F423-F736 HydrophobicContact CD1-CE2 3.83Å; F423-F736 HydrophobicContact CD1-CZ 4.46Å; F423-F736 HydrophobicContact CE1-CD2 4.22Å; F423-F736 AromaticContact CE1-CE2 3.85Å; F423-F736 HydrophobicContact CE1-CE2 3.85Å
424	M	93.4	Very high	93.2	Very high	11 Å²	11	33.7 Å²	33.7	5%	0.054	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-43.6	174.8	-57.9	-51.3	161	0	0	111.3	A420 A421 W427 K428 F736 Y787 L790	A420-M424 WeakPolarHBondContact O-CG 3.48Å; A420-M424 PolarHBondContact O-N 2.85Å; A421-M424 PolarHBondContact O-N 3.46Å; M424-W427 PolarHBondContact O-N 3.46Å; M424-K428 PolarHBondContact O-N 3.45Å; M424-F736 HydrophobicContact CE-CE1 3.99Å; M424-F736 HydrophobicContact CE-CE2 4.08Å; M424-F736 HydrophobicContact CE-CZ 3.42Å; M424-F736 VanDerWaalsContact CE-CZ 3.42Å; M424-Y787 HydrophobicContact CB-CE2 4.32Å; M424-L790 HydrophobicContact CE-CB 3.72Å; M424-L790 HydrophobicContact CE-CD2 4.28Å; M424-L790 HydrophobicContact CE-CG 4.44Å; M424-L790 HydrophobicContact SD-CB 3.94Å; M424-L790 HydrophobicContact SD-CD1 4.46Å
425	E	92.3	Very high	92.9	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178.6	-61.7	-40.6	110.2	0	0	112.7	A421 T422 F423 W427 K428 R429 I912	A421-E425 WeakPolarHBondContact O-CG 3.14Å; A421-E425 PolarHBondContact O-N 3.43Å; T422-E425 PolarHBondContact O-N 3.47Å; F423-E425 VanDerWaalsContact C-N 3.34Å; F423-E425 PolarHBondContact O-N 3.33Å; E425-W427 VanDerWaalsContact C-N 3.3Å; E425-W427 PolarHBondContact O-N 3Å; E425-K428 PolarHBondContact O-N 3.45Å; E425-K428 WeakPolarHBondContact OE1-CE 3.34Å; E425-K428 IonicContact OE1-NZ 3.93Å; E425-K428 PolarHBondContact OE1-NZ 3.08Å; E425-K428 WeakPolarHBondContact OE2-CE 3.45Å; E425-K428 IonicContact OE2-NZ 3.72Å; E425-K428 PolarHBondContact OE2-NZ 3.25Å; E425-R429 WeakPolarHBondContact O-CB 3.36Å; E425-R429 WeakPolarHBondContact O-CG 3.1Å; E425-R429 PolarHBondContact O-N 3.22Å; E425-R429 VanDerWaalsContact O-N 3.08Å; E425-I912 HydrophobicContact CB-CB 4.16Å; E425-I912 HydrophobicContact CB-CD1 4.02Å; E425-I912 HydrophobicContact CB-CG2 3.88Å; E425-I912 HydrophobicContact CG-CB 4.2Å; E425-I912 HydrophobicContact CG-CD1 4.22Å; E425-I912 HydrophobicContact CG-CG2 4.45Å
426	H	92.9	Very high	92.4	Very high	69 Å²	69	30.6 Å²	30.6	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-62.6	-39.7	174.5	-169.9	96.3	0	0	0	111.2	T422 F423 K430	T422-H426 VanDerWaalsContact O-CB 3.25Å; T422-H426 WeakPolarHBondContact O-CB 3.28Å; T422-H426 PolarHBondContact O-N 3.38Å; F423-H426 PolarHBondContact O-N 3.08Å; H426-K430 WeakPolarHBondContact O-CB 3.41Å; H426-K430 PolarHBondContact O-N 3.39Å
427	W	94.4	Very high	91.8	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-50.3	175.3	177.8	-110	0	0	0	112.3	L330 A333 W334 V337 F423 M424 E425 R429 K430 Q431 I783	L330-W427 HydrophobicContact CD1-CH2 3.72Å; L330-W427 HydrophobicContact CD1-CZ2 3.82Å; L330-W427 HydrophobicContact CG-CH2 4.22Å; L330-W427 HydrophobicContact CG-CZ2 4.11Å; A333-W427 HydrophobicContact CB-CH2 4.25Å; A333-W427 HydrophobicContact CB-CZ3 4.36Å; W334-W427 HydrophobicContact CB-CE3 4.29Å; W334-W427 HydrophobicContact CB-CH2 3.59Å; W334-W427 HydrophobicContact CB-CZ2 3.87Å; W334-W427 HydrophobicContact CB-CZ3 3.84Å; W334-W427 AromaticContact CD1-CD2 3.66Å; W334-W427 AromaticContact CD1-CE2 3.69Å; W334-W427 HydrophobicContact CG-CH2 4.45Å; W334-W427 HydrophobicContact CG-CZ2 4.39Å; V337-W427 HydrophobicContact CB-CE3 4.07Å; V337-W427 HydrophobicContact CB-CZ3 4.43Å; V337-W427 HydrophobicContact CG1-CE3 4.23Å; V337-W427 HydrophobicContact CG2-CE3 4.06Å; V337-W427 HydrophobicContact CG2-CZ3 4.16Å; F423-W427 WeakPolarHBondContact O-CB 3.48Å; F423-W427 PolarHBondContact O-N 2.69Å; M424-W427 PolarHBondContact O-N 3.46Å; E425-W427 VanDerWaalsContact C-N 3.3Å; E425-W427 PolarHBondContact O-N 3Å; W427-R429 VanDerWaalsContact C-N 3.27Å; W427-R429 PolarHBondContact O-N 3.45Å; W427-K430 HydrophobicContact CE3-CB 4.33Å; W427-K430 HydrophobicContact CZ3-CG 4.3Å; W427-K430 PolarHBondContact O-N 3.12Å; W427-K430 VanDerWaalsContact O-N 3.1Å; W427-Q431 HydrophobicContact CZ2-CB 4.03Å; W427-Q431 HydrophobicContact CZ2-CG 4.23Å; W427-Q431 WeakPolarHBondContact O-CB 3.38Å; W427-Q431 PolarHBondContact O-N 3.32Å; W427-I783 HydrophobicContact CZ2-CG2 3.85Å
428	K	92.3	Very high	91.3	Very high	37 Å²	37	35.6 Å²	35.6	16%	0.161	16%	0.16	C	C	.	.	H	α-helix	trans	-50.3	-49.1	175.7	-80.6	-171.7	-73.4	168	0	111.1	M424 E425 Q431 M432 Y787 D909 D914	M424-K428 PolarHBondContact O-N 3.45Å; E425-K428 PolarHBondContact O-N 3.45Å; E425-K428 WeakPolarHBondContact OE1-CE 3.34Å; E425-K428 IonicContact OE1-NZ 3.93Å; E425-K428 PolarHBondContact OE1-NZ 3.08Å; E425-K428 WeakPolarHBondContact OE2-CE 3.45Å; E425-K428 IonicContact OE2-NZ 3.72Å; E425-K428 PolarHBondContact OE2-NZ 3.25Å; K428-Q431 PolarHBondContact O-N 3Å; K428-M432 PolarHBondContact O-N 3.02Å; K428-Y787 HydrophobicContact CD-CE2 4.43Å; K428-Y787 VanDerWaalsContact CD-OH 3.32Å; K428-Y787 WeakPolarHBondContact CD-OH 3.32Å; K428-Y787 WeakPolarHBondContact CE-OH 3.45Å; K428-Y787 HydrophobicContact CG-CE2 4.01Å; K428-D909 IonicContact NZ-OD1 2.69Å; K428-D909 PolarHBondContact NZ-OD1 3.06Å; K428-D914 VanDerWaalsContact CD-OD1 3.28Å; K428-D914 WeakPolarHBondContact CD-OD1 3.4Å; K428-D914 WeakPolarHBondContact CE-OD1 3.1Å; K428-D914 IonicContact NZ-OD1 2.97Å; K428-D914 PolarHBondContact NZ-OD1 3.33Å
429	R	91.6	Very high	90.7	Very high	94 Å²	94	35.4 Å²	35.4	36%	0.355	16%	0.159	S	C	.	.	H	α-helix	trans	-66.2	-39	179	-70	176	68.5	-164.3	1	113.4	E425 W427 R433 P913 D914 P916	E425-R429 WeakPolarHBondContact O-CB 3.36Å; E425-R429 WeakPolarHBondContact O-CG 3.1Å; E425-R429 PolarHBondContact O-N 3.22Å; E425-R429 VanDerWaalsContact O-N 3.08Å; W427-R429 VanDerWaalsContact C-N 3.27Å; W427-R429 PolarHBondContact O-N 3.45Å; R429-R433 PolarHBondContact O-N 3.13Å; R429-R433 VanDerWaalsContact O-N 3.13Å; R429-P913 WeakPolarHBondContact CD-O 3.35Å; R429-P913 WeakPolarHBondContact CG-O 3.1Å; R429-D914 VanDerWaalsContact CG-O 3.32Å; R429-D914 WeakPolarHBondContact CG-O 3.3Å; R429-P916 HydrophobicContact CB-CG 3.97Å; R429-P916 HydrophobicContact CG-CG 4.18Å
430	K	90.5	Very high	89.8	Confident	76 Å²	76	35.6 Å²	35.6	33%	0.33	16%	0.16	S	C	.	.	H	α-helix	trans	-66.8	-47.6	174.8	-175.2	82.3	173.1	-160.8	0	110.9	V337 H426 W427 M432 R433 L434	V337-K430 HydrophobicContact CG2-CB 4.32Å; V337-K430 HydrophobicContact CG2-CD 4.24Å; V337-K430 HydrophobicContact CG2-CG 3.84Å; H426-K430 WeakPolarHBondContact O-CB 3.41Å; H426-K430 PolarHBondContact O-N 3.39Å; W427-K430 HydrophobicContact CE3-CB 4.33Å; W427-K430 HydrophobicContact CZ3-CG 4.3Å; W427-K430 PolarHBondContact O-N 3.12Å; W427-K430 VanDerWaalsContact O-N 3.1Å; K430-M432 VanDerWaalsContact C-N 3.32Å; K430-M432 PolarHBondContact O-N 2.64Å; K430-R433 PolarHBondContact O-N 3.43Å; K430-R433 VanDerWaalsContact O-N 3.12Å; K430-L434 HydrophobicContact CG-CD1 4.19Å; K430-L434 HydrophobicContact CG-CG 4.46Å; K430-L434 WeakPolarHBondContact O-CG 3.31Å; K430-L434 PolarHBondContact O-N 2.86Å
431	Q	91.9	Very high	88.6	Confident	33 Å²	33	37.4 Å²	37.4	15%	0.154	17%	0.171	C	C	.	.	H	α-helix	trans	-55.6	-47.4	176.9	-174.4	-178	-71.6	0	0	110.3	L330 W427 K428 R433 L434 N435	L330-Q431 HydrophobicContact CD1-CG 4.36Å; W427-Q431 HydrophobicContact CZ2-CB 4.03Å; W427-Q431 HydrophobicContact CZ2-CG 4.23Å; W427-Q431 WeakPolarHBondContact O-CB 3.38Å; W427-Q431 PolarHBondContact O-N 3.32Å; K428-Q431 PolarHBondContact O-N 3Å; Q431-R433 VanDerWaalsContact C-N 3.35Å; Q431-R433 PolarHBondContact O-N 3Å; Q431-L434 PolarHBondContact O-N 3.27Å; Q431-L434 VanDerWaalsContact O-N 3.14Å; Q431-N435 WeakPolarHBondContact O-CB 3.48Å; Q431-N435 VanDerWaalsContact O-CG 3.27Å; Q431-N435 PolarHBondContact O-N 2.86Å
432	M	88.8	Confident	87.1	Confident	43 Å²	43	39 Å²	39	21%	0.212	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-39.9	176.8	-172.4	57.4	-164.1	0	0	112.8	K428 K430 N435 Y436 T441 I915 I923	K428-M432 PolarHBondContact O-N 3.02Å; K430-M432 VanDerWaalsContact C-N 3.32Å; K430-M432 PolarHBondContact O-N 2.64Å; M432-N435 PolarHBondContact O-N 2.95Å; M432-Y436 WeakPolarHBondContact O-CB 3.39Å; M432-Y436 PolarHBondContact O-N 3.3Å; M432-T441 HydrophobicContact CE-CG2 4.12Å; M432-I915 HydrophobicContact CG-CG2 4.4Å; M432-I923 HydrophobicContact CE-CD1 3.69Å
433	R	88.4	Confident	85.5	Confident	104 Å²	104	37.9 Å²	37.9	39%	0.392	18%	0.179	S	C	.	.	H	α-helix	trans	-66.1	-35.2	174.4	-177.7	176.1	-74.9	166	-4.5	112.5	R429 K430 Q431 R437 D918 I919	R429-R433 PolarHBondContact O-N 3.13Å; R429-R433 VanDerWaalsContact O-N 3.13Å; K430-R433 PolarHBondContact O-N 3.43Å; K430-R433 VanDerWaalsContact O-N 3.12Å; Q431-R433 VanDerWaalsContact C-N 3.35Å; Q431-R433 PolarHBondContact O-N 3Å; R433-R437 WeakPolarHBondContact O-CG 3.38Å; R433-R437 PolarHBondContact O-N 2.91Å; R433-D918 IonicContact CZ-OD2 2.67Å; R433-D918 IonicContact NE-OD2 3.66Å; R433-D918 IonicContact NH2-OD1 3.34Å; R433-D918 IonicContact NH2-OD2 2.68Å; R433-D918 PolarHBondContact NH2-OD2 3.01Å; R433-I919 HydrophobicContact CB-CG1 4.41Å; R433-I919 HydrophobicContact CG-CD1 4.1Å; R433-I919 HydrophobicContact CG-CG1 4.44Å
434	L	89.3	Confident	83.6	Confident	7 Å²	7	43.3 Å²	43.3	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-45.2	174.9	-66.5	175.6	0	0	0	111.4	L330 A333 K430 Q431 Y436 R437 W438	L330-L434 HydrophobicContact CD1-CD1 4.34Å; A333-L434 HydrophobicContact CB-CD1 3.51Å; K430-L434 HydrophobicContact CG-CD1 4.19Å; K430-L434 HydrophobicContact CG-CG 4.46Å; K430-L434 WeakPolarHBondContact O-CG 3.31Å; K430-L434 PolarHBondContact O-N 2.86Å; Q431-L434 PolarHBondContact O-N 3.27Å; Q431-L434 VanDerWaalsContact O-N 3.14Å; L434-Y436 PolarHBondContact O-N 3.43Å; L434-R437 CarbonylContact O-C 3.51Å; L434-R437 PolarHBondContact O-N 3.14Å; L434-W438 HydrophobicContact CB-CD2 4.25Å; L434-W438 HydrophobicContact CB-CE3 4.28Å; L434-W438 HydrophobicContact CB-CH2 4.14Å; L434-W438 HydrophobicContact CB-CZ2 4.08Å; L434-W438 HydrophobicContact CB-CZ3 4.24Å; L434-W438 HydrophobicContact CD1-CH2 3.98Å; L434-W438 HydrophobicContact CD1-CZ2 4.13Å; L434-W438 HydrophobicContact CD2-CH2 4.39Å; L434-W438 HydrophobicContact CD2-CZ2 3.72Å; L434-W438 HydrophobicContact CG-CH2 4.39Å; L434-W438 HydrophobicContact CG-CZ2 4.18Å; L434-W438 WeakPolarHBondContact O-CB 2.94Å; L434-W438 PolarHBondContact O-N 3.27Å
435	N	88.3	Confident	81.4	Confident	15 Å²	15	50.5 Å²	50.5	8%	0.08	24%	0.238	C	C	.	.	H	α-helix	trans	-55.7	-37.8	173.8	-71.2	-11.2	0	0	0	112.2	Q431 M432 D439 L440 K781	Q431-N435 WeakPolarHBondContact O-CB 3.48Å; Q431-N435 VanDerWaalsContact O-CG 3.27Å; Q431-N435 PolarHBondContact O-N 2.86Å; M432-N435 PolarHBondContact O-N 2.95Å; N435-D439 PolarHBondContact O-N 3.13Å; N435-D439 VanDerWaalsContact O-N 3.15Å; N435-L440 HydrophobicContact CB-CB 4.3Å; N435-L440 PolarHBondContact O-N 3.33Å; N435-K781 PolarHBondContact ND2-O 3.26Å; N435-K781 PolarHBondContact OD1-O 2.95Å; N435-K781 VanDerWaalsContact OD1-O 3.06Å
436	Y	84.9	Confident	79.4	Confident	5 Å²	5	51.4 Å²	51.4	2%	0.02	24%	0.243	C	C	.	.	H	α-helix	trans	-70.4	-41.6	173.3	175	-102.3	0	0	0	113.8	Y182 M432 L434 W438 D439 I919 Q922 I923 E926	Y182-Y436 PolarHBondContact OH-OH 3.1Å; M432-Y436 WeakPolarHBondContact O-CB 3.39Å; M432-Y436 PolarHBondContact O-N 3.3Å; L434-Y436 PolarHBondContact O-N 3.43Å; Y436-W438 VanDerWaalsContact C-N 3.28Å; Y436-W438 PolarHBondContact O-N 3.43Å; Y436-D439 PolarHBondContact O-N 2.78Å; Y436-I919 HydrophobicContact CD1-CD1 3.75Å; Y436-I919 HydrophobicContact CD1-CG2 4.12Å; Y436-I919 HydrophobicContact CD2-CG2 4.15Å; Y436-I919 HydrophobicContact CE1-CD1 4.31Å; Y436-I919 HydrophobicContact CG-CD1 4.39Å; Y436-I919 HydrophobicContact CG-CG2 3.67Å; Y436-Q922 HydrophobicContact CE1-CG 4.26Å; Y436-Q922 VanDerWaalsContact OH-CG 3.28Å; Y436-Q922 WeakPolarHBondContact OH-CG 3.41Å; Y436-Q922 PolarHBondContact OH-NE2 3.43Å; Y436-I923 HydrophobicContact CD2-CD1 3.91Å; Y436-I923 HydrophobicContact CD2-CG1 3.41Å; Y436-I923 VanDerWaalsContact CD2-CG1 3.41Å; Y436-I923 HydrophobicContact CE2-CG1 3.66Å; Y436-I923 HydrophobicContact CG-CG1 4.42Å; Y436-E926 VanDerWaalsContact CE2-OE2 3.3Å; Y436-E926 WeakPolarHBondContact CE2-OE2 3.43Å; Y436-E926 PolarHBondContact OH-OE1 3.44Å
437	R	83.6	Confident	77.4	Confident	113 Å²	113	51 Å²	51	43%	0.426	24%	0.241	S	C	.	.	H	α-helix	trans	-72	-21.5	177.3	-73.9	-179.9	76.1	-131.4	3.2	113.5	D318 R433 L434	D318-R437 VanDerWaalsContact CG-NH1 3.3Å; D318-R437 IonicContact OD1-CZ 2.73Å; D318-R437 IonicContact OD1-NH1 2.8Å; D318-R437 PolarHBondContact OD1-NH1 2.89Å; D318-R437 IonicContact OD1-NH2 2.72Å; D318-R437 IonicContact OD2-CZ 3.15Å; D318-R437 IonicContact OD2-NH1 3.98Å; D318-R437 PolarHBondContact OD2-NH1 3.05Å; D318-R437 IonicContact OD2-NH2 2.71Å; D318-R437 PolarHBondContact OD2-NH2 2.78Å; R433-R437 WeakPolarHBondContact O-CG 3.38Å; R433-R437 PolarHBondContact O-N 2.91Å; L434-R437 CarbonylContact O-C 3.51Å; L434-R437 PolarHBondContact O-N 3.14Å
438	W	85.1	Confident	75.1	Confident	12 Å²	12	59 Å²	59	5%	0.045	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	11	-179.6	-52.7	-15.8	0	0	0	112.4	I317 D318 R321 E326 L330 L434 Y436 L440	I317-W438 HydrophobicContact CG2-CH2 4.05Å; I317-W438 HydrophobicContact CG2-CZ2 3.63Å; D318-W438 PolarHBondContact OD1-NE1 2.86Å; R321-W438 VanDerWaalsContact CD-CG 3.45Å; R321-W438 HydrophobicContact CG-CD2 4.38Å; R321-W438 VanDerWaalsContact NH1-CD1 3.27Å; E326-W438 HydrophobicContact CB-CE3 4.35Å; E326-W438 HydrophobicContact CG-CE3 4.29Å; L330-W438 HydrophobicContact CB-CZ3 4.21Å; L330-W438 HydrophobicContact CD1-CH2 4.46Å; L330-W438 HydrophobicContact CD1-CZ3 4.12Å; L434-W438 HydrophobicContact CB-CD2 4.25Å; L434-W438 HydrophobicContact CB-CE3 4.28Å; L434-W438 HydrophobicContact CB-CH2 4.14Å; L434-W438 HydrophobicContact CB-CZ2 4.08Å; L434-W438 HydrophobicContact CB-CZ3 4.24Å; L434-W438 HydrophobicContact CD1-CH2 3.98Å; L434-W438 HydrophobicContact CD1-CZ2 4.13Å; L434-W438 HydrophobicContact CD2-CH2 4.39Å; L434-W438 HydrophobicContact CD2-CZ2 3.72Å; L434-W438 HydrophobicContact CG-CH2 4.39Å; L434-W438 HydrophobicContact CG-CZ2 4.18Å; L434-W438 WeakPolarHBondContact O-CB 2.94Å; L434-W438 PolarHBondContact O-N 3.27Å; Y436-W438 VanDerWaalsContact C-N 3.28Å; Y436-W438 PolarHBondContact O-N 3.43Å; W438-L440 HydrophobicContact CB-CD1 4.24Å; W438-L440 HydrophobicContact CB-CG 4.14Å; W438-L440 HydrophobicContact CE3-CD1 4.09Å; W438-L440 PolarHBondContact O-N 3.49Å; W438-L440 VanDerWaalsContact O-N 3.11Å
439	D	81.2	Confident	72.6	Confident	37 Å²	37	60.3 Å²	60.3	20%	0.198	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	24.7	176.1	-54.3	-39.7	0	0	0	115.1	K175 K218 S221 N435 Y436 T441	K175-D439 HydrophobicContact CD-CB 4.06Å; K175-D439 WeakPolarHBondContact CD-O 3.45Å; K175-D439 WeakPolarHBondContact CE-O 3.36Å; K175-D439 PolarHBondContact NZ-O 3.01Å; K218-D439 WeakPolarHBondContact CE-OD1 3.27Å; K218-D439 IonicContact NZ-OD1 2.85Å; K218-D439 PolarHBondContact NZ-OD1 2.89Å; S221-D439 WeakPolarHBondContact CB-OD2 3.27Å; S221-D439 PolarHBondContact OG-OD1 2.61Å; S221-D439 PolarHBondContact OG-OD2 2.71Å; N435-D439 PolarHBondContact O-N 3.13Å; N435-D439 VanDerWaalsContact O-N 3.15Å; Y436-D439 PolarHBondContact O-N 2.78Å; D439-T441 PolarHBondContact O-N 3.43Å
440	L	78.1	Confident	70.6	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.073	29%	0.294	C	S	.	.			trans	-76.9	-1.4	179.5	-62	175.3	0	0	0	114	E326 N435 W438 G442 F443 R779 A780	E326-L440 HydrophobicContact CB-CD1 4.29Å; E326-L440 HydrophobicContact CG-CD1 4.22Å; E326-L440 HydrophobicContact CG-CD2 4.34Å; N435-L440 HydrophobicContact CB-CB 4.3Å; N435-L440 PolarHBondContact O-N 3.33Å; W438-L440 HydrophobicContact CB-CD1 4.24Å; W438-L440 HydrophobicContact CB-CG 4.14Å; W438-L440 HydrophobicContact CE3-CD1 4.09Å; W438-L440 PolarHBondContact O-N 3.49Å; W438-L440 VanDerWaalsContact O-N 3.11Å; L440-G442 PolarHBondContact O-N 2.98Å; L440-F443 WeakPolarHBondContact O-CB 3.25Å; L440-F443 PolarHBondContact O-N 2.97Å; L440-R779 HydrophobicContact CD2-CB 4.49Å; L440-A780 WeakPolarHBondContact CD1-O 3.4Å
441	T	70.9	Confident	68.7	Low	45 Å²	45	63 Å²	63	28%	0.276	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	118.1	178.5	46.5	0	0	0	0	111.5	K175 M432 D439 I923	K175-T441 PolarHBondContact NZ-O 3.16Å; M432-T441 HydrophobicContact CE-CG2 4.12Å; D439-T441 PolarHBondContact O-N 3.43Å; T441-I923 HydrophobicContact CG2-CD1 4.31Å
442	G	61.6	Low	67	Low	48 Å²	48	64.7 Å²	64.7	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	6.1	-177.5	0	0	0	0	0	115.6	L440 E444 E445	L440-G442 PolarHBondContact O-N 2.98Å; G442-E444 PolarHBondContact O-N 3.45Å; G442-E444 VanDerWaalsContact O-N 3.11Å; G442-E445 PolarHBondContact O-N 2.95Å
443	F	61.4	Low	65.7	Low	27 Å²	27	66.5 Å²	66.5	12%	0.118	33%	0.332	C	S	.	.	H	α-helix	trans	-57.1	-23.4	177.1	178.1	-106.2	0	0	0	114.4	L440 E446 E447 R779	L440-F443 WeakPolarHBondContact O-CB 3.25Å; L440-F443 PolarHBondContact O-N 2.97Å; F443-E446 WeakPolarHBondContact O-CB 3.47Å; F443-E446 PolarHBondContact O-N 3.14Å; F443-E447 HydrophobicContact CD1-CB 4.44Å; F443-E447 HydrophobicContact CE1-CB 4.11Å; F443-E447 HydrophobicContact CE1-CG 4.25Å; F443-E447 WeakPolarHBondContact CE1-OE2 3.32Å; F443-E447 HydrophobicContact CZ-CB 4.37Å; F443-E447 WeakPolarHBondContact O-CB 2.95Å; F443-E447 PolarHBondContact O-N 3.4Å; F443-R779 HydrophobicContact CE2-CB 3.93Å; F443-R779 HydrophobicContact CZ-CB 4.09Å
444	E	54.3	Low	64.7	Low	114 Å²	114	63.8 Å²	63.8	53%	0.533	33%	0.328	S	S	.	.	H	α-helix	trans	-65.4	-40.7	-177.9	-64.8	172.5	-149.3	0	0	112.9	G442 E446 E447 E448 K781	G442-E444 PolarHBondContact O-N 3.45Å; G442-E444 VanDerWaalsContact O-N 3.11Å; E444-E446 VanDerWaalsContact C-N 3.25Å; E444-E446 PolarHBondContact O-N 3.34Å; E444-E447 PolarHBondContact O-N 2.9Å; E444-E448 PolarHBondContact O-N 2.89Å; E444-K781 HydrophobicContact CG-CD 4.17Å; E444-K781 IonicContact OE1-NZ 3.21Å; E444-K781 PolarHBondContact OE1-NZ 3.06Å; E444-K781 IonicContact OE2-NZ 3.02Å
445	E	48.7	Very low	63.9	Low	162 Å²	162	65.4 Å²	65.4	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-70.4	-24	175.9	-62.9	175.9	-168.5	0	0	111.9	G442 A449	G442-E445 PolarHBondContact O-N 2.95Å; E445-A449 WeakPolarHBondContact O-CB 3.47Å
446	E	48.7	Very low	63	Low	24 Å²	24	65.8 Å²	65.8	11%	0.112	34%	0.339	C	S	.	.	H	α-helix	trans	-79.6	-42.6	173.1	-61.7	177.4	-173.5	0	0	111.4	K173 F443 E444 A449 V450 R779	K173-E446 HydrophobicContact CB-CG 4.37Å; K173-E446 HydrophobicContact CD-CG 4.22Å; F443-E446 WeakPolarHBondContact O-CB 3.47Å; F443-E446 PolarHBondContact O-N 3.14Å; E444-E446 VanDerWaalsContact C-N 3.25Å; E444-E446 PolarHBondContact O-N 3.34Å; E446-A449 PolarHBondContact O-N 3.27Å; E446-V450 WeakPolarHBondContact O-CG2 3.45Å; E446-V450 PolarHBondContact O-N 3.41Å; E446-R779 IonicContact OE2-NH1 2.64Å; E446-R779 PolarHBondContact OE2-NH1 3.27Å; E446-R779 VanDerWaalsContact OE2-NH1 3.11Å
447	E	52.1	Low	62.4	Low	60 Å²	60	68.2 Å²	68.2	28%	0.28	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-37.8	177.7	-167	-174.6	166	0	0	111.6	F443 E444 V450 K600	F443-E447 HydrophobicContact CD1-CB 4.44Å; F443-E447 HydrophobicContact CE1-CB 4.11Å; F443-E447 HydrophobicContact CE1-CG 4.25Å; F443-E447 WeakPolarHBondContact CE1-OE2 3.32Å; F443-E447 HydrophobicContact CZ-CB 4.37Å; F443-E447 WeakPolarHBondContact O-CB 2.95Å; F443-E447 PolarHBondContact O-N 3.4Å; E444-E447 PolarHBondContact O-N 2.9Å; E447-V450 CarbonylContact O-C 3.57Å; E447-K600 IonicContact OE1-NZ 3Å; E447-K600 PolarHBondContact OE1-NZ 3.32Å; E447-K600 IonicContact OE2-NZ 3.43Å; E447-K600 PolarHBondContact OE2-NZ 3.05Å
448	E	45.5	Very low	61.9	Low	168 Å²	168	63.8 Å²	63.8	79%	0.785	33%	0.334	S	S	*	.	H	α-helix	trans	-72.7	-29.8	177	-168.1	165	-146.6	0	0	112.8	E444	E444-E448 PolarHBondContact O-N 2.89Å
449	A	39.9	Very low	61.2	Low	65 Å²	65	67 Å²	67	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-74	-42.6	173.6	0	0	0	0	0	112.4	E445 E446 K451	E445-A449 WeakPolarHBondContact O-CB 3.47Å; E446-A449 PolarHBondContact O-N 3.27Å; A449-K451 VanDerWaalsContact C-N 3.28Å; A449-K451 PolarHBondContact O-N 2.87Å
450	V	49.5	Very low	60.7	Low	50 Å²	50	68 Å²	68	30%	0.303	36%	0.363	S	S	.	.	S	Bend	trans	-84.3	72.5	175.2	-173.6	0	0	0	0	109.3	E446 E447 D452	E446-V450 WeakPolarHBondContact O-CG2 3.45Å; E446-V450 PolarHBondContact O-N 3.41Å; E447-V450 CarbonylContact O-C 3.57Å; V450-D452 PolarHBondContact O-N 3.08Å
451	K	50.3	Low	60.5	Low	177 Å²	177	71.6 Å²	71.6	77%	0.77	38%	0.375	S	S	*	.			trans	-41.4	108.5	-178.8	-71.1	173.2	-177.6	164.2	0	112.3	A449 H453	A449-K451 VanDerWaalsContact C-N 3.28Å; A449-K451 PolarHBondContact O-N 2.87Å; K451-H453 PolarHBondContact O-N 2.93Å
452	D	56.9	Low	60.6	Low	69 Å²	69	70 Å²	70	37%	0.369	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-50.7	121.8	-178.3	-168	22	0	0	0	111.7	V450 T598	V450-D452 PolarHBondContact O-N 3.08Å; D452-T598 HydrophobicContact CB-CG2 4.07Å; D452-T598 WeakPolarHBondContact OD2-CB 3.33Å; D452-T598 VanDerWaalsContact OD2-CG2 3.22Å; D452-T598 WeakPolarHBondContact OD2-CG2 3.46Å
453	H	61.7	Low	61	Low	81 Å²	81	69.9 Å²	69.9	38%	0.375	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-63.3	128.8	-171.7	-71.9	86.2	0	0	0	109.2	K451	K451-H453 PolarHBondContact O-N 2.93Å
454	P	66.9	Low	61.5	Low	46 Å²	46	73 Å²	73	30%	0.299	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-63.3	141.7	179.9	27.7	-34.7	0	0	0	110.6	Y458 E459 K597	P454-Y458 HydrophobicContact CB-CD1 4.21Å; P454-E459 HydrophobicContact CB-CG 4.01Å; P454-E459 HydrophobicContact CG-CG 3.83Å; P454-E459 WeakPolarHBondContact CG-OE1 3.18Å; P454-K597 WeakPolarHBondContact CA-O 3.32Å
455	R	72.9	Confident	62.5	Low	41 Å²	41	70.2 Å²	70.2	16%	0.155	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-63.6	135.9	-177.5	-166.3	170.6	-176.6	-95.2	-11.2	110.3	E457 Y458 E459 K597 E599	R455-E457 IonicContact CZ-OE2 3.19Å; R455-E457 IonicContact NH1-OE2 3.56Å; R455-E457 PolarHBondContact NH1-OE2 3.39Å; R455-E457 IonicContact NH2-OE2 2.72Å; R455-E457 PolarHBondContact O-N 3.44Å; R455-E457 VanDerWaalsContact O-N 3.08Å; R455-Y458 WeakPolarHBondContact O-CA 2.92Å; R455-Y458 VanDerWaalsContact O-CB 3.23Å; R455-Y458 WeakPolarHBondContact O-CB 3.47Å; R455-Y458 PolarHBondContact O-N 2.98Å; R455-E459 PolarHBondContact O-N 2.77Å; R455-E459 VanDerWaalsContact O-N 3.09Å; R455-K597 PolarHBondContact N-O 3.5Å; R455-E599 WeakPolarHBondContact CD-OE2 3.45Å; R455-E599 WeakPolarHBondContact CG-OE2 3.36Å; R455-E599 IonicContact CZ-OE2 2.63Å; R455-E599 IonicContact NE-OE1 3.22Å; R455-E599 IonicContact NE-OE2 2.95Å; R455-E599 PolarHBondContact NE-OE2 3.3Å
456	A	69.3	Low	63.4	Low	23 Å²	23	63 Å²	63	19%	0.19	32%	0.322	C	S	.	.	H	α-helix	trans	-54.4	-35.4	-175.8	0	0	0	0	0	114.1	Y458 E459 A460	A456-Y458 VanDerWaalsContact C-N 3.31Å; A456-Y458 PolarHBondContact O-N 2.95Å; A456-E459 PolarHBondContact O-N 3.42Å; A456-A460 WeakPolarHBondContact O-CB 3.32Å; A456-A460 PolarHBondContact O-N 2.88Å
457	E	71.3	Confident	64.4	Low	57 Å²	57	65.6 Å²	65.6	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-65.9	-30.9	173.9	-64.3	-174	170.7	0	0	113.2	R455 R461 K592	R455-E457 IonicContact CZ-OE2 3.19Å; R455-E457 IonicContact NH1-OE2 3.56Å; R455-E457 PolarHBondContact NH1-OE2 3.39Å; R455-E457 IonicContact NH2-OE2 2.72Å; R455-E457 PolarHBondContact O-N 3.44Å; R455-E457 VanDerWaalsContact O-N 3.08Å; E457-R461 PolarHBondContact O-N 3.37Å; E457-K592 WeakPolarHBondContact OE1-CE 3.4Å; E457-K592 IonicContact OE1-NZ 3.63Å; E457-K592 PolarHBondContact OE1-NZ 2.72Å
458	Y	74.8	Confident	65.5	Low	19 Å²	19	68.4 Å²	68.4	8%	0.075	35%	0.347	C	S	.	.	H	α-helix	trans	-71.6	-46.2	173.8	180	-87.6	0	0	0	110.9	P454 R455 A456 R461 V462 L507 V595 K597	P454-Y458 HydrophobicContact CB-CD1 4.21Å; R455-Y458 WeakPolarHBondContact O-CA 2.92Å; R455-Y458 VanDerWaalsContact O-CB 3.23Å; R455-Y458 WeakPolarHBondContact O-CB 3.47Å; R455-Y458 PolarHBondContact O-N 2.98Å; A456-Y458 VanDerWaalsContact C-N 3.31Å; A456-Y458 PolarHBondContact O-N 2.95Å; Y458-R461 PolarHBondContact O-N 3.03Å; Y458-V462 HydrophobicContact CD1-CG2 3.93Å; Y458-V462 HydrophobicContact CE1-CG2 3.47Å; Y458-V462 VanDerWaalsContact CE1-CG2 3.47Å; Y458-V462 WeakPolarHBondContact O-CG2 3.3Å; Y458-V462 PolarHBondContact O-N 3.34Å; Y458-L507 HydrophobicContact CD2-CD1 4.19Å; Y458-L507 HydrophobicContact CE2-CD1 3.58Å; Y458-V595 HydrophobicContact CD2-CG1 3.68Å; Y458-V595 HydrophobicContact CG-CG1 4.21Å; Y458-K597 HydrophobicContact CD1-CG 4.28Å; Y458-K597 HydrophobicContact CD2-CB 4.26Å; Y458-K597 HydrophobicContact CE1-CG 4.03Å; Y458-K597 HydrophobicContact CE2-CB 4.15Å; Y458-K597 HydrophobicContact CE2-CG 4.34Å
459	E	69.8	Low	66.8	Low	80 Å²	80	66 Å²	66	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-46.4	176.7	-62	-170.1	121.6	0	0	111.8	P454 R455 A456 R461 V462 L463	P454-E459 HydrophobicContact CB-CG 4.01Å; P454-E459 HydrophobicContact CG-CG 3.83Å; P454-E459 WeakPolarHBondContact CG-OE1 3.18Å; R455-E459 PolarHBondContact O-N 2.77Å; R455-E459 VanDerWaalsContact O-N 3.09Å; A456-E459 PolarHBondContact O-N 3.42Å; E459-R461 VanDerWaalsContact C-N 3.32Å; E459-R461 PolarHBondContact O-N 2.81Å; E459-V462 PolarHBondContact O-N 2.95Å; E459-L463 VanDerWaalsContact O-CB 3.27Å; E459-L463 WeakPolarHBondContact O-CB 3.44Å; E459-L463 PolarHBondContact O-N 3.39Å
460	A	71.3	Confident	68.2	Low	58 Å²	58	65.7 Å²	65.7	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-57.7	-42	176.3	0	0	0	0	0	112.4	A456 L463 E464	A456-A460 WeakPolarHBondContact O-CB 3.32Å; A456-A460 PolarHBondContact O-N 2.88Å; A460-L463 PolarHBondContact O-N 3.15Å; A460-E464 PolarHBondContact O-N 2.9Å
461	R	73.8	Confident	69.1	Low	89 Å²	89	66.3 Å²	66.3	34%	0.336	33%	0.328	S	S	.	.	H	α-helix	trans	-74.6	-31.1	178.4	-159.1	-173.9	-84	-177.3	1.1	112.6	E457 Y458 E459 K465 I593 V595	E457-R461 PolarHBondContact O-N 3.37Å; Y458-R461 PolarHBondContact O-N 3.03Å; E459-R461 VanDerWaalsContact C-N 3.32Å; E459-R461 PolarHBondContact O-N 2.81Å; R461-K465 PolarHBondContact O-N 3.07Å; R461-I593 PolarHBondContact NH1-O 3.04Å; R461-I593 PolarHBondContact NH2-O 3.34Å; R461-V595 HydrophobicContact CB-CG1 4.46Å; R461-V595 VanDerWaalsContact NH2-CG2 3.31Å
462	V	72.1	Confident	70.1	Confident	11 Å²	11	64.5 Å²	64.5	7%	0.067	32%	0.32	C	S	.	.	H	α-helix	trans	-64.7	-44.4	169.7	166.1	0	0	0	0	110.9	Y458 E459 K465 S466 V505 L507	Y458-V462 HydrophobicContact CD1-CG2 3.93Å; Y458-V462 HydrophobicContact CE1-CG2 3.47Å; Y458-V462 VanDerWaalsContact CE1-CG2 3.47Å; Y458-V462 WeakPolarHBondContact O-CG2 3.3Å; Y458-V462 PolarHBondContact O-N 3.34Å; E459-V462 PolarHBondContact O-N 2.95Å; V462-K465 WeakPolarHBondContact O-CB 3.36Å; V462-K465 PolarHBondContact O-N 3.48Å; V462-S466 PolarHBondContact O-N 2.99Å; V462-V505 HydrophobicContact CG1-CB 4.5Å; V462-V505 VanDerWaalsContact CG1-O 3.3Å; V462-V505 WeakPolarHBondContact CG1-O 3.38Å; V462-L507 HydrophobicContact CG2-CD1 3.47Å; V462-L507 VanDerWaalsContact CG2-CD1 3.47Å
463	L	69.4	Low	70.5	Confident	47 Å²	47	65.7 Å²	65.7	25%	0.246	33%	0.327	C	S	.	.	H	α-helix	trans	-64.4	-43.1	178.2	177.6	69.4	0	0	0	111.8	Y264 E459 A460 K465 S466 L467	Y264-L463 HydrophobicContact CD1-CD1 4.22Å; Y264-L463 HydrophobicContact CD1-CD2 3.41Å; Y264-L463 VanDerWaalsContact CD1-CD2 3.41Å; Y264-L463 HydrophobicContact CD1-CG 4.31Å; Y264-L463 HydrophobicContact CE1-CD2 3.96Å; Y264-L463 HydrophobicContact CG-CD2 3.83Å; E459-L463 VanDerWaalsContact O-CB 3.27Å; E459-L463 WeakPolarHBondContact O-CB 3.44Å; E459-L463 PolarHBondContact O-N 3.39Å; A460-L463 PolarHBondContact O-N 3.15Å; L463-K465 VanDerWaalsContact C-N 3.26Å; L463-K465 PolarHBondContact O-N 3.34Å; L463-S466 PolarHBondContact O-N 3.38Å; L463-S466 PolarHBondContact O-OG 3.27Å; L463-L467 HydrophobicContact CG-CD1 4.22Å; L463-L467 WeakPolarHBondContact O-CB 3.21Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.42Å; L463-L467 PolarHBondContact O-N 2.93Å
464	E	73.1	Confident	70.6	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-57.9	-41.2	173.1	-164.8	-156.4	149.1	0	0	111.5	A460 K468	A460-E464 PolarHBondContact O-N 2.9Å; E464-K468 HydrophobicContact CG-CD 4.5Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 WeakPolarHBondContact O-CG 3.39Å; E464-K468 PolarHBondContact O-N 3.37Å; E464-K468 VanDerWaalsContact OE1-CE 3.3Å; E464-K468 WeakPolarHBondContact OE1-CE 3.4Å; E464-K468 IonicContact OE1-NZ 3.89Å; E464-K468 PolarHBondContact OE1-NZ 2.94Å
465	K	73.9	Confident	70.6	Confident	57 Å²	57	71.7 Å²	71.7	25%	0.248	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-38.1	176.2	-176	-178.7	175.4	-175	0	112.6	R461 V462 L463 K469 V505 K506 D511	R461-K465 PolarHBondContact O-N 3.07Å; V462-K465 WeakPolarHBondContact O-CB 3.36Å; V462-K465 PolarHBondContact O-N 3.48Å; L463-K465 VanDerWaalsContact C-N 3.26Å; L463-K465 PolarHBondContact O-N 3.34Å; K465-K469 WeakPolarHBondContact O-CB 3.43Å; K465-K469 PolarHBondContact O-N 2.87Å; K465-V505 HydrophobicContact CD-CG1 4.29Å; K465-K506 PolarHBondContact NZ-O 3.07Å; K465-D511 IonicContact NZ-OD1 2.74Å; K465-D511 IonicContact NZ-OD2 3.91Å; K465-D511 PolarHBondContact NZ-OD2 3.42Å
466	S	68.2	Low	69.9	Low	10 Å²	10	77.2 Å²	77.2	7%	0.07	37%	0.374	C	S	.	.	H	α-helix	trans	-67.7	-43.5	176.1	70.2	0	0	0	0	111	V462 L463 K468 K469 E470	V462-S466 PolarHBondContact O-N 2.99Å; L463-S466 PolarHBondContact O-N 3.38Å; L463-S466 PolarHBondContact O-OG 3.27Å; S466-K468 PolarHBondContact O-N 2.7Å; S466-K469 CarbonylContact O-C 3.47Å; S466-K469 WeakPolarHBondContact O-CA 3.41Å; S466-K469 WeakPolarHBondContact O-CB 3.42Å; S466-K469 PolarHBondContact O-N 2.91Å; S466-E470 PolarHBondContact O-N 3.42Å
467	L	69.7	Low	69.2	Low	78 Å²	78	83.8 Å²	83.8	41%	0.408	39%	0.394	S	S	.	.	H	α-helix	trans	-59	-45.2	173.8	-69.4	169.9	0	0	0	112.2	L463 K469 E470 S471	L463-L467 HydrophobicContact CG-CD1 4.22Å; L463-L467 WeakPolarHBondContact O-CB 3.21Å; L463-L467 VanDerWaalsContact O-CG 3.29Å; L463-L467 WeakPolarHBondContact O-CG 3.42Å; L463-L467 PolarHBondContact O-N 2.93Å; L467-K469 VanDerWaalsContact C-N 3.25Å; L467-K469 PolarHBondContact O-N 3.41Å; L467-E470 PolarHBondContact O-N 3.23Å; L467-S471 PolarHBondContact O-N 2.87Å; L467-S471 PolarHBondContact O-OG 3.3Å
468	K	74.8	Confident	68.3	Low	119 Å²	119	91.7 Å²	91.7	52%	0.517	42%	0.421	S	S	.	.	H	α-helix	trans	-64.1	-26.1	173.8	-79.4	173.9	170.2	172.9	0	113.6	E464 S466 S471 K472	E464-K468 HydrophobicContact CG-CD 4.5Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 WeakPolarHBondContact O-CG 3.39Å; E464-K468 PolarHBondContact O-N 3.37Å; E464-K468 VanDerWaalsContact OE1-CE 3.3Å; E464-K468 WeakPolarHBondContact OE1-CE 3.4Å; E464-K468 IonicContact OE1-NZ 3.89Å; E464-K468 PolarHBondContact OE1-NZ 2.94Å; S466-K468 PolarHBondContact O-N 2.7Å; K468-S471 PolarHBondContact O-OG 3.26Å; K468-S471 VanDerWaalsContact O-OG 3.13Å; K468-K472 WeakPolarHBondContact O-CG 3.19Å
469	K	72.5	Confident	67.3	Low	119 Å²	119	98.9 Å²	98.9	52%	0.517	46%	0.455	S	S	.	.	H	α-helix	trans	-81.1	-37.3	173.9	-169.9	177.5	179.6	-176.7	0	111.4	K465 S466 L467 N473	K465-K469 WeakPolarHBondContact O-CB 3.43Å; K465-K469 PolarHBondContact O-N 2.87Å; S466-K469 CarbonylContact O-C 3.47Å; S466-K469 WeakPolarHBondContact O-CA 3.41Å; S466-K469 WeakPolarHBondContact O-CB 3.42Å; S466-K469 PolarHBondContact O-N 2.91Å; L467-K469 VanDerWaalsContact C-N 3.25Å; L467-K469 PolarHBondContact O-N 3.41Å; K469-N473 WeakPolarHBondContact O-CB 3.47Å; K469-N473 PolarHBondContact O-N 3.44Å
470	E	69.6	Low	66.3	Low	58 Å²	58	100.8 Å²	100.8	27%	0.271	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-42.3	173.4	-78.5	-160.5	-174.7	0	0	112.9	S466 L467 N473 K474	S466-E470 PolarHBondContact O-N 3.42Å; L467-E470 PolarHBondContact O-N 3.23Å; E470-N473 PolarHBondContact O-N 2.93Å; E470-K474 WeakPolarHBondContact O-CB 3.31Å; E470-K474 WeakPolarHBondContact O-CG 3.45Å; E470-K474 PolarHBondContact O-N 2.96Å; E470-K474 IonicContact OE2-NZ 3.21Å; E470-K474 PolarHBondContact OE2-NZ 2.74Å
471	S	69.7	Low	65	Low	62 Å²	62	104.1 Å²	104.1	43%	0.434	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-49.6	176.6	60.7	0	0	0	0	110.8	L467 K468 N473 K474 E475	L467-S471 PolarHBondContact O-N 2.87Å; L467-S471 PolarHBondContact O-OG 3.3Å; K468-S471 PolarHBondContact O-OG 3.26Å; K468-S471 VanDerWaalsContact O-OG 3.13Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 3.44Å; S471-K474 PolarHBondContact O-N 3.31Å; S471-K474 VanDerWaalsContact O-N 3.14Å; S471-E475 WeakPolarHBondContact O-CB 3.39Å; S471-E475 PolarHBondContact O-N 2.89Å
472	K	70.8	Confident	63.7	Low	140 Å²	140	106.8 Å²	106.8	61%	0.609	50%	0.5	S	S	*	.	H	α-helix	trans	-59.5	-35	174.1	-73.3	-176.3	175	-171.2	0	113.5	K468 K476	K468-K472 WeakPolarHBondContact O-CG 3.19Å; K472-K476 WeakPolarHBondContact O-CB 3.33Å; K472-K476 WeakPolarHBondContact O-CG 3.12Å; K472-K476 PolarHBondContact O-N 2.88Å
473	N	65.1	Low	62.4	Low	93 Å²	93	115 Å²	115	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-73.8	-36.1	174.8	-88.7	4.2	0	0	0	112.9	K469 E470 S471 E475 R477	K469-N473 WeakPolarHBondContact O-CB 3.47Å; K469-N473 PolarHBondContact O-N 3.44Å; E470-N473 PolarHBondContact O-N 2.93Å; S471-N473 VanDerWaalsContact C-N 3.3Å; S471-N473 PolarHBondContact O-N 3.44Å; N473-E475 VanDerWaalsContact C-N 3.34Å; N473-R477 WeakPolarHBondContact O-CB 3.44Å; N473-R477 PolarHBondContact O-N 3.22Å
474	K	63.8	Low	61.3	Low	125 Å²	125	118.3 Å²	118.3	54%	0.543	57%	0.565	S	S	.	*	H	α-helix	trans	-65.3	-39.9	173	-76.8	167.1	179.7	155.2	0	110.8	E470 S471 R477 R478	E470-K474 WeakPolarHBondContact O-CB 3.31Å; E470-K474 WeakPolarHBondContact O-CG 3.45Å; E470-K474 PolarHBondContact O-N 2.96Å; E470-K474 IonicContact OE2-NZ 3.21Å; E470-K474 PolarHBondContact OE2-NZ 2.74Å; S471-K474 PolarHBondContact O-N 3.31Å; S471-K474 VanDerWaalsContact O-N 3.14Å; K474-R477 PolarHBondContact O-N 3.16Å; K474-R478 PolarHBondContact O-N 2.65Å; K474-R478 VanDerWaalsContact O-N 3.14Å
475	E	66.1	Low	59.8	Low	128 Å²	128	119.4 Å²	119.4	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-64.7	-47.9	174.7	-169	165	-142.3	0	0	111.7	S471 N473 R477 R478	S471-E475 WeakPolarHBondContact O-CB 3.39Å; S471-E475 PolarHBondContact O-N 2.89Å; N473-E475 VanDerWaalsContact C-N 3.34Å; E475-R477 VanDerWaalsContact C-N 3.32Å; E475-R477 PolarHBondContact O-N 3.14Å; E475-R478 WeakPolarHBondContact O-CB 3.33Å; E475-R478 PolarHBondContact O-N 3.15Å; E475-R478 VanDerWaalsContact O-N 3.16Å
476	K	58.7	Low	59	Low	158 Å²	158	122.4 Å²	122.4	69%	0.687	60%	0.596	S	S	*	*	H	α-helix	trans	-60.4	-36.5	172	-77.1	-171.2	173.3	-164.4	0	113.8	K472 R478 H479	K472-K476 WeakPolarHBondContact O-CB 3.33Å; K472-K476 WeakPolarHBondContact O-CG 3.12Å; K472-K476 PolarHBondContact O-N 2.88Å; K476-R478 VanDerWaalsContact C-N 3.32Å; K476-R478 PolarHBondContact O-N 3.27Å; K476-H479 PolarHBondContact O-N 3.35Å
477	R	54	Low	58.2	Low	160 Å²	160	130.7 Å²	130.7	60%	0.604	63%	0.631	S	S	*	*	H	α-helix	trans	-69.3	-24.5	176.3	-88.5	-173	172.9	179.6	-3.4	113.8	N473 K474 E475 H479 I480	N473-R477 WeakPolarHBondContact O-CB 3.44Å; N473-R477 PolarHBondContact O-N 3.22Å; K474-R477 PolarHBondContact O-N 3.16Å; E475-R477 VanDerWaalsContact C-N 3.32Å; E475-R477 PolarHBondContact O-N 3.14Å; R477-H479 PolarHBondContact O-N 2.63Å; R477-I480 PolarHBondContact O-N 2.95Å
478	R	53.3	Low	57.2	Low	223 Å²	223	137 Å²	137	84%	0.842	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-13.6	174.5	-76.6	177.1	174.2	-178.4	-3.5	113.7	K474 E475 K476	K474-R478 PolarHBondContact O-N 2.65Å; K474-R478 VanDerWaalsContact O-N 3.14Å; E475-R478 WeakPolarHBondContact O-CB 3.33Å; E475-R478 PolarHBondContact O-N 3.15Å; E475-R478 VanDerWaalsContact O-N 3.16Å; K476-R478 VanDerWaalsContact C-N 3.32Å; K476-R478 PolarHBondContact O-N 3.27Å
479	H	53.1	Low	55.8	Low	170 Å²	170	138.9 Å²	138.9	79%	0.787	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	11.7	177	-76.4	-69.8	0	0	0	114.4	K476 R477	K476-H479 PolarHBondContact O-N 3.35Å; R477-H479 PolarHBondContact O-N 2.63Å
480	I	49.5	Very low	54.7	Low	120 Å²	120	137 Å²	137	62%	0.615	65%	0.651	S	S	*	*	S	Bend	trans	-123.9	128.1	175.6	-55.2	177.2	0	0	0	108.4	R477 E482	R477-I480 PolarHBondContact O-N 2.95Å; I480-E482 PolarHBondContact O-N 2.84Å
481	P	44.3	Very low	53.8	Low	128 Å²	128	143.5 Å²	143.5	83%	0.831	67%	0.673	S	S	*	*			trans	-64.3	125.8	173.3	-17.1	30.6	0	0	0	110.4
482	E	45.8	Very low	52.9	Low	145 Å²	145	142.9 Å²	142.9	68%	0.678	67%	0.667	S	S	*	*			trans	-102.2	111.7	-178.8	-163	174.7	-153.6	0	0	110.2	I480 Q490	I480-E482 PolarHBondContact O-N 2.84Å; E482-Q490 PolarHBondContact OE1-NE2 3.16Å
483	E	44.2	Very low	51.6	Low	185 Å²	185	143.7 Å²	143.7	86%	0.864	67%	0.67	S	S	*	*			trans	-74.4	145.4	176.7	-166.1	174.5	-145.4	0	0	111.6	T485	E483-T485 PolarHBondContact O-N 3.37Å; E483-T485 VanDerWaalsContact O-N 3.1Å
484	S	46.5	Very low	50.8	Low	116 Å²	116	142.7 Å²	142.7	81%	0.811	67%	0.667	S	S	*	*			trans	-85.3	88.3	-159.6	59	0	0	0	0	114.8
485	T	42.9	Very low	50.1	Low	114 Å²	114	139.9 Å²	139.9	70%	0.699	67%	0.667	S	S	*	*	S	Bend	trans	-130.5	124.7	158.9	54.8	0	0	0	0	114.1	E483	E483-T485 PolarHBondContact O-N 3.37Å; E483-T485 VanDerWaalsContact O-N 3.1Å
486	N	55.8	Low	48.9	Very low	119 Å²	119	139.9 Å²	139.9	64%	0.636	67%	0.669	S	S	*	*			trans	56.7	58.8	158.3	-63.2	-34.9	0	0	0	118.9	W488 K489 Q490	N486-W488 PolarHBondContact O-N 2.92Å; N486-K489 HydrophobicContact CB-CB 4.2Å; N486-K489 PolarHBondContact O-N 2.72Å; N486-Q490 PolarHBondContact O-N 2.82Å; N486-Q490 VanDerWaalsContact O-N 3.08Å
487	K	52.9	Low	47.9	Very low	185 Å²	185	134.6 Å²	134.6	80%	0.804	66%	0.655	S	S	*	*	H	α-helix	trans	-41	-36.5	167.8	-84.6	178.1	176	169.2	0	115	Q490 R491	K487-Q490 WeakPolarHBondContact O-CB 3.48Å; K487-R491 WeakPolarHBondContact O-CB 3.18Å; K487-R491 WeakPolarHBondContact O-CG 3.32Å; K487-R491 PolarHBondContact O-N 2.99Å
488	W	47	Very low	47.3	Very low	210 Å²	210	128.1 Å²	128.1	80%	0.795	64%	0.638	S	S	*	*	H	α-helix	trans	-71.1	-46	-178.6	-136.2	94.9	0	0	0	112.3	N486 Q490 R491 V492	N486-W488 PolarHBondContact O-N 2.92Å; W488-Q490 VanDerWaalsContact C-N 3.3Å; W488-Q490 PolarHBondContact O-N 3.1Å; W488-R491 PolarHBondContact O-N 3.35Å; W488-V492 HydrophobicContact CD2-CG2 4.46Å; W488-V492 HydrophobicContact CE3-CG2 3.53Å; W488-V492 HydrophobicContact CH2-CG2 4.31Å; W488-V492 HydrophobicContact CZ3-CG2 3.45Å; W488-V492 VanDerWaalsContact CZ3-CG2 3.45Å; W488-V492 WeakPolarHBondContact O-CG2 3.41Å; W488-V492 PolarHBondContact O-N 2.97Å
489	K	47	Very low	46.7	Very low	159 Å²	159	122.8 Å²	122.8	69%	0.691	63%	0.63	S	S	*	*	H	α-helix	trans	-64.9	-36.4	175.7	-140.6	170.2	-171.9	173.6	0	110.9	N486 K493	N486-K489 HydrophobicContact CB-CB 4.2Å; N486-K489 PolarHBondContact O-N 2.72Å; K489-K493 WeakPolarHBondContact O-CB 3.49Å; K489-K493 PolarHBondContact O-N 3.09Å
490	Q	48	Very low	45.8	Very low	79 Å²	79	122.5 Å²	122.5	37%	0.369	63%	0.626	S	S	.	*	H	α-helix	trans	-61.8	-47.3	172.2	-151.1	87.1	-39.7	0	0	111.6	E482 N486 K487 W488 T494	E482-Q490 PolarHBondContact OE1-NE2 3.16Å; N486-Q490 PolarHBondContact O-N 2.82Å; N486-Q490 VanDerWaalsContact O-N 3.08Å; K487-Q490 WeakPolarHBondContact O-CB 3.48Å; W488-Q490 VanDerWaalsContact C-N 3.3Å; W488-Q490 PolarHBondContact O-N 3.1Å; Q490-T494 WeakPolarHBondContact O-CB 3.48Å; Q490-T494 PolarHBondContact O-N 3.44Å; Q490-T494 PolarHBondContact O-OG1 3.5Å
491	R	51.2	Low	45.1	Very low	194 Å²	194	119.8 Å²	119.8	73%	0.732	61%	0.613	S	S	*	*	H	α-helix	trans	-64.7	-46.8	177.9	-86.7	-179.1	163.1	175.2	-5.9	112.6	K487 W488 T494 A495	K487-R491 WeakPolarHBondContact O-CB 3.18Å; K487-R491 WeakPolarHBondContact O-CG 3.32Å; K487-R491 PolarHBondContact O-N 2.99Å; W488-R491 PolarHBondContact O-N 3.35Å; R491-T494 PolarHBondContact O-N 3.12Å; R491-T494 VanDerWaalsContact O-N 3.12Å; R491-A495 PolarHBondContact O-N 3.5Å
492	V	51.4	Low	45	Very low	50 Å²	50	117 Å²	117	30%	0.303	59%	0.593	S	S	.	*	H	α-helix	trans	-63.8	-44.2	177.7	175.2	0	0	0	0	111.3	W488 T494 A495 M496	W488-V492 HydrophobicContact CD2-CG2 4.46Å; W488-V492 HydrophobicContact CE3-CG2 3.53Å; W488-V492 HydrophobicContact CH2-CG2 4.31Å; W488-V492 HydrophobicContact CZ3-CG2 3.45Å; W488-V492 VanDerWaalsContact CZ3-CG2 3.45Å; W488-V492 WeakPolarHBondContact O-CG2 3.41Å; W488-V492 PolarHBondContact O-N 2.97Å; V492-T494 VanDerWaalsContact C-N 3.26Å; V492-T494 PolarHBondContact O-N 2.96Å; V492-A495 PolarHBondContact O-N 2.99Å; V492-M496 HydrophobicContact CG1-CE 3.82Å; V492-M496 HydrophobicContact CG1-CG 4.38Å; V492-M496 HydrophobicContact CG1-SD 4.01Å; V492-M496 WeakPolarHBondContact O-CB 3.28Å; V492-M496 WeakPolarHBondContact O-CG 3.4Å; V492-M496 PolarHBondContact O-N 2.93Å
493	K	43.9	Very low	44.8	Very low	156 Å²	156	116.9 Å²	116.9	68%	0.678	60%	0.598	S	S	*	*	H	α-helix	trans	-59.4	-36.7	171.9	-93.4	-174.1	172.2	-179.6	0	112.4	K489 A497	K489-K493 WeakPolarHBondContact O-CB 3.49Å; K489-K493 PolarHBondContact O-N 3.09Å; K493-A497 WeakPolarHBondContact O-CB 3.2Å; K493-A497 PolarHBondContact O-N 2.9Å
494	T	48.4	Very low	44.8	Very low	72 Å²	72	116.8 Å²	116.8	44%	0.442	59%	0.594	S	S	.	*	H	α-helix	trans	-71.9	-40.8	179.3	-54.7	0	0	0	0	111.8	Q490 R491 V492 A497 G498	Q490-T494 WeakPolarHBondContact O-CB 3.48Å; Q490-T494 PolarHBondContact O-N 3.44Å; Q490-T494 PolarHBondContact O-OG1 3.5Å; R491-T494 PolarHBondContact O-N 3.12Å; R491-T494 VanDerWaalsContact O-N 3.12Å; V492-T494 VanDerWaalsContact C-N 3.26Å; V492-T494 PolarHBondContact O-N 2.96Å; T494-A497 PolarHBondContact O-N 3.06Å; T494-G498 PolarHBondContact O-N 3.19Å
495	A	47.8	Very low	45.3	Very low	66 Å²	66	112.4 Å²	112.4	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-64.3	-48.7	174.2	0	0	0	0	0	111.8	R491 V492 A497 G498 V499	R491-A495 PolarHBondContact O-N 3.5Å; V492-A495 PolarHBondContact O-N 2.99Å; A495-A497 VanDerWaalsContact C-N 3.3Å; A495-A497 PolarHBondContact O-N 3.49Å; A495-G498 PolarHBondContact O-N 3.21Å; A495-V499 PolarHBondContact O-N 3.43Å; A495-V499 VanDerWaalsContact O-N 3.15Å
496	M	40.5	Very low	46.2	Very low	128 Å²	128	114.3 Å²	114.3	63%	0.631	56%	0.561	S	S	*	*	H	α-helix	trans	-64.1	-32.8	174.8	-70.2	-177.8	175.2	0	0	112.8	V492 K500	V492-M496 HydrophobicContact CG1-CE 3.82Å; V492-M496 HydrophobicContact CG1-CG 4.38Å; V492-M496 HydrophobicContact CG1-SD 4.01Å; V492-M496 WeakPolarHBondContact O-CB 3.28Å; V492-M496 WeakPolarHBondContact O-CG 3.4Å; V492-M496 PolarHBondContact O-N 2.93Å; M496-K500 PolarHBondContact O-N 2.87Å; M496-K500 VanDerWaalsContact O-N 3.07Å
497	A	39	Very low	46.7	Very low	47 Å²	47	109.6 Å²	109.6	39%	0.388	54%	0.536	S	S	.	.	H	α-helix	trans	-71.1	-36.7	174.6	0	0	0	0	0	112.1	K493 T494 A495 K500 L501	K493-A497 WeakPolarHBondContact O-CB 3.2Å; K493-A497 PolarHBondContact O-N 2.9Å; T494-A497 PolarHBondContact O-N 3.06Å; A495-A497 VanDerWaalsContact C-N 3.3Å; A495-A497 PolarHBondContact O-N 3.49Å; A497-K500 CarbonylContact O-C 3.46Å; A497-K500 PolarHBondContact O-N 3.29Å; A497-L501 WeakPolarHBondContact O-CB 3.33Å; A497-L501 PolarHBondContact O-N 3.02Å
498	G	40	Very low	47.5	Very low	24 Å²	24	104.3 Å²	104.3	25%	0.247	52%	0.519	C	S	.	.	H	α-helix	trans	-59.9	-47.1	173.3	0	0	0	0	0	111.8	T494 A495 K500 L501	T494-G498 PolarHBondContact O-N 3.19Å; A495-G498 PolarHBondContact O-N 3.21Å; G498-K500 VanDerWaalsContact C-N 3.33Å; G498-K500 PolarHBondContact O-N 2.87Å; G498-L501 PolarHBondContact O-N 2.87Å; G498-L501 VanDerWaalsContact O-N 3.13Å
499	V	40.6	Very low	48.4	Very low	112 Å²	112	103 Å²	103	68%	0.679	51%	0.514	S	S	*	.	H	α-helix	trans	-63.3	-35	175.1	177.4	0	0	0	0	112.2	A495 T502	A495-V499 PolarHBondContact O-N 3.43Å; A495-V499 VanDerWaalsContact O-N 3.15Å; V499-T502 PolarHBondContact O-OG1 2.79Å
500	K	34.3	Very low	49.5	Very low	164 Å²	164	105.9 Å²	105.9	71%	0.713	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.2	173.9	-85.4	-176.6	172.6	176	0	115.1	M496 A497 G498	M496-K500 PolarHBondContact O-N 2.87Å; M496-K500 VanDerWaalsContact O-N 3.07Å; A497-K500 CarbonylContact O-C 3.46Å; A497-K500 PolarHBondContact O-N 3.29Å; G498-K500 VanDerWaalsContact C-N 3.33Å; G498-K500 PolarHBondContact O-N 2.87Å
501	L	36.1	Very low	50.6	Low	63 Å²	63	105.7 Å²	105.7	33%	0.33	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-36.4	-176.8	-134.5	78.6	0	0	0	112.5	A497 G498 D503 K504 V505	A497-L501 WeakPolarHBondContact O-CB 3.33Å; A497-L501 PolarHBondContact O-N 3.02Å; G498-L501 PolarHBondContact O-N 2.87Å; G498-L501 VanDerWaalsContact O-N 3.13Å; L501-D503 VanDerWaalsContact C-N 3.33Å; L501-D503 PolarHBondContact O-N 3.44Å; L501-K504 PolarHBondContact O-N 3.13Å; L501-K504 VanDerWaalsContact O-N 3.08Å; L501-V505 HydrophobicContact CG-CG2 4.36Å; L501-V505 WeakPolarHBondContact O-CG2 3.26Å; L501-V505 PolarHBondContact O-N 3.31Å
502	T	41.1	Very low	51.6	Low	68 Å²	68	98.7 Å²	98.7	42%	0.417	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-57.4	-44.1	-177.5	43.7	0	0	0	0	111.7	V499 K504	V499-T502 PolarHBondContact O-OG1 2.79Å; T502-K504 PolarHBondContact O-N 2.89Å
503	D	42.3	Very low	52.8	Low	144 Å²	144	101.3 Å²	101.3	77%	0.77	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-61.8	-23.6	176.4	-86.5	-24.8	0	0	0	114.8	L501	L501-D503 VanDerWaalsContact C-N 3.33Å; L501-D503 PolarHBondContact O-N 3.44Å
504	K	43.6	Very low	54.4	Low	182 Å²	182	97.6 Å²	97.6	79%	0.791	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-106.3	-15	-171.1	-67.8	-167.1	176.7	-171.6	0	114.9	L501 T502 K506	L501-K504 PolarHBondContact O-N 3.13Å; L501-K504 VanDerWaalsContact O-N 3.08Å; T502-K504 PolarHBondContact O-N 2.89Å; K504-K506 PolarHBondContact O-N 3.42Å
505	V	56.5	Low	55.6	Low	24 Å²	24	94.7 Å²	94.7	15%	0.145	48%	0.478	C	S	.	.			trans	-93.4	94.6	-177.7	-179.4	0	0	0	0	111.3	V462 K465 L501	V462-V505 HydrophobicContact CG1-CB 4.5Å; V462-V505 VanDerWaalsContact CG1-O 3.3Å; V462-V505 WeakPolarHBondContact CG1-O 3.38Å; K465-V505 HydrophobicContact CD-CG1 4.29Å; L501-V505 HydrophobicContact CG-CG2 4.36Å; L501-V505 WeakPolarHBondContact O-CG2 3.26Å; L501-V505 PolarHBondContact O-N 3.31Å
506	K	62.5	Low	57.2	Low	154 Å²	154	94.7 Å²	94.7	67%	0.67	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-83.3	151.8	170.7	-62.7	177.3	-177.4	175.6	0	111.4	K465 K504 T508	K465-K506 PolarHBondContact NZ-O 3.07Å; K504-K506 PolarHBondContact O-N 3.42Å; K506-T508 PolarHBondContact O-N 3.36Å
507	L	66.1	Low	59.3	Low	21 Å²	21	92.8 Å²	92.8	11%	0.11	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-65.4	130.5	163.5	-81.2	90.1	0	0	0	108.5	Y458 V462 D511	Y458-L507 HydrophobicContact CD2-CD1 4.19Å; Y458-L507 HydrophobicContact CE2-CD1 3.58Å; V462-L507 HydrophobicContact CG2-CD1 3.47Å; V462-L507 VanDerWaalsContact CG2-CD1 3.47Å; L507-D511 HydrophobicContact CD2-CB 4.39Å
508	T	70	Confident	61.2	Low	73 Å²	73	94 Å²	94	45%	0.448	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-89	163.3	-179.5	66.8	0	0	0	0	110.5	K506 R510 D511 R512	K506-T508 PolarHBondContact O-N 3.36Å; T508-R510 PolarHBondContact O-N 3.44Å; T508-D511 WeakPolarHBondContact CA-OD2 3.26Å; T508-D511 WeakPolarHBondContact CB-OD2 3.42Å; T508-D511 PolarHBondContact N-OD2 2.89Å; T508-D511 WeakPolarHBondContact O-CB 3.4Å; T508-D511 PolarHBondContact O-N 3.41Å; T508-D511 VanDerWaalsContact OG1-CG 3.27Å; T508-D511 PolarHBondContact OG1-OD2 3.49Å; T508-R512 PolarHBondContact O-N 3.13Å
509	W	66.4	Low	63.1	Low	183 Å²	183	93.1 Å²	93.1	69%	0.693	45%	0.449	S	S	*	.	H	α-helix	trans	-59.5	-33	-179.1	-152.1	85.1	0	0	0	112.3	D511 R512 F513	W509-D511 PolarHBondContact O-N 3.13Å; W509-R512 PolarHBondContact O-N 3.02Å; W509-F513 HydrophobicContact CE3-CB 4.48Å; W509-F513 HydrophobicContact CE3-CD2 4.28Å; W509-F513 AromaticContact CH2-CD2 3.89Å; W509-F513 HydrophobicContact CH2-CD2 3.89Å; W509-F513 HydrophobicContact CH2-CE2 4.32Å; W509-F513 AromaticContact CZ3-CD2 3.56Å; W509-F513 HydrophobicContact CZ3-CD2 3.56Å; W509-F513 HydrophobicContact CZ3-CE2 4.19Å; W509-F513 HydrophobicContact CZ3-CG 4.41Å; W509-F513 WeakPolarHBondContact O-CB 3.5Å; W509-F513 PolarHBondContact O-N 3.35Å
510	R	70.2	Confident	65.1	Low	220 Å²	220	92.7 Å²	92.7	83%	0.83	44%	0.442	S	S	*	.	H	α-helix	trans	-65.1	-32	173.5	-75.1	-175.7	171.3	136.4	-1.1	113.9	T508 R512 P514	T508-R510 PolarHBondContact O-N 3.44Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R510-P514 WeakPolarHBondContact O-CD 3.46Å
511	D	69.6	Low	67.4	Low	74 Å²	74	89 Å²	89	40%	0.396	43%	0.433	S	S	.	.	H	α-helix	trans	-73.7	-26.3	176.1	-50.3	-61	0	0	0	111.7	K465 L507 T508 W509	K465-D511 IonicContact NZ-OD1 2.74Å; K465-D511 IonicContact NZ-OD2 3.91Å; K465-D511 PolarHBondContact NZ-OD2 3.42Å; L507-D511 HydrophobicContact CD2-CB 4.39Å; T508-D511 WeakPolarHBondContact CA-OD2 3.26Å; T508-D511 WeakPolarHBondContact CB-OD2 3.42Å; T508-D511 PolarHBondContact N-OD2 2.89Å; T508-D511 WeakPolarHBondContact O-CB 3.4Å; T508-D511 PolarHBondContact O-N 3.41Å; T508-D511 VanDerWaalsContact OG1-CG 3.27Å; T508-D511 PolarHBondContact OG1-OD2 3.49Å; W509-D511 PolarHBondContact O-N 3.13Å
512	R	72.7	Confident	69.3	Low	47 Å²	47	87.2 Å²	87.2	18%	0.177	43%	0.426	C	S	.	.	H	α-helix	trans	-94.5	-23.4	-179.2	-70.2	179.2	165.4	162.8	-6.4	113.9	T508 W509 R510 A515 Y516 V595	T508-R512 PolarHBondContact O-N 3.13Å; W509-R512 PolarHBondContact O-N 3.02Å; R510-R512 VanDerWaalsContact C-N 3.31Å; R512-A515 WeakPolarHBondContact O-CA 3.14Å; R512-A515 WeakPolarHBondContact O-CB 3.29Å; R512-A515 PolarHBondContact O-N 3.39Å; R512-Y516 HydrophobicContact CB-CD2 4.01Å; R512-Y516 HydrophobicContact CB-CE2 3.65Å; R512-Y516 WeakPolarHBondContact O-CD2 3.46Å; R512-Y516 PolarHBondContact O-N 3Å; R512-V595 PolarHBondContact NH2-O 3.03Å
513	F	77.9	Confident	71.3	Confident	106 Å²	106	85.1 Å²	85.1	47%	0.465	41%	0.412	S	S	.	.	H	α-helix	trans	-54	-44.7	-177.3	-179.6	-96.1	0	0	0	113.6	W509 A515 Y516 L517	W509-F513 HydrophobicContact CE3-CB 4.48Å; W509-F513 HydrophobicContact CE3-CD2 4.28Å; W509-F513 AromaticContact CH2-CD2 3.89Å; W509-F513 HydrophobicContact CH2-CD2 3.89Å; W509-F513 HydrophobicContact CH2-CE2 4.32Å; W509-F513 AromaticContact CZ3-CD2 3.56Å; W509-F513 HydrophobicContact CZ3-CD2 3.56Å; W509-F513 HydrophobicContact CZ3-CE2 4.19Å; W509-F513 HydrophobicContact CZ3-CG 4.41Å; W509-F513 WeakPolarHBondContact O-CB 3.5Å; W509-F513 PolarHBondContact O-N 3.35Å; F513-A515 VanDerWaalsContact C-N 3.3Å; F513-A515 PolarHBondContact O-N 2.85Å; F513-Y516 PolarHBondContact O-N 3.29Å; F513-L517 HydrophobicContact CE1-CD2 4.43Å; F513-L517 WeakPolarHBondContact O-CB 3.23Å; F513-L517 PolarHBondContact O-N 2.85Å
514	P	76.3	Confident	73.3	Confident	77 Å²	77	83 Å²	83	50%	0.5	40%	0.399	S	S	.	.	H	α-helix	trans	-61	-38.6	174.7	-23	34.6	0	0	0	112.8	R510 L517 T518	R510-P514 WeakPolarHBondContact O-CD 3.46Å; P514-L517 PolarHBondContact O-N 3.48Å; P514-T518 WeakPolarHBondContact O-CG2 3.41Å; P514-T518 PolarHBondContact O-N 3.42Å; P514-T518 PolarHBondContact O-OG1 3.41Å; P514-T518 VanDerWaalsContact O-OG1 3.13Å
515	A	75	Confident	75.2	Confident	11 Å²	11	80.4 Å²	80.4	9%	0.091	39%	0.388	C	S	.	.	H	α-helix	trans	-69.7	-33.8	178.2	0	0	0	0	0	112.7	R512 F513 T518 N519 I593	R512-A515 WeakPolarHBondContact O-CA 3.14Å; R512-A515 WeakPolarHBondContact O-CB 3.29Å; R512-A515 PolarHBondContact O-N 3.39Å; F513-A515 VanDerWaalsContact C-N 3.3Å; F513-A515 PolarHBondContact O-N 2.85Å; A515-T518 PolarHBondContact O-OG1 3.08Å; A515-N519 VanDerWaalsContact O-CB 3.24Å; A515-N519 WeakPolarHBondContact O-CB 3.39Å; A515-N519 PolarHBondContact O-N 3.49Å; A515-N519 VanDerWaalsContact O-N 3.15Å; A515-I593 HydrophobicContact CB-CG2 3.99Å
516	Y	81	Confident	76.2	Confident	66 Å²	66	80 Å²	80	26%	0.259	39%	0.385	S	S	.	.	H	α-helix	trans	-73.5	-36.3	172.9	-67.5	-45.2	0	0	0	112.4	R512 F513 N519 L520 E594 R605	R512-Y516 HydrophobicContact CB-CD2 4.01Å; R512-Y516 HydrophobicContact CB-CE2 3.65Å; R512-Y516 WeakPolarHBondContact O-CD2 3.46Å; R512-Y516 PolarHBondContact O-N 3Å; F513-Y516 PolarHBondContact O-N 3.29Å; Y516-N519 WeakPolarHBondContact O-CB 3.41Å; Y516-N519 PolarHBondContact O-N 2.82Å; Y516-L520 PolarHBondContact O-N 2.89Å; Y516-E594 HydrophobicContact CD1-CG 4.43Å; Y516-E594 HydrophobicContact CE1-CG 4.34Å; Y516-R605 PolarHBondContact OH-NH1 3.05Å
517	L	83.9	Confident	77	Confident	88 Å²	88	74.8 Å²	74.8	46%	0.461	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-47.1	176.1	-176.9	62.3	0	0	0	111.6	F513 P514 N519 L520 V521	F513-L517 HydrophobicContact CE1-CD2 4.43Å; F513-L517 WeakPolarHBondContact O-CB 3.23Å; F513-L517 PolarHBondContact O-N 2.85Å; P514-L517 PolarHBondContact O-N 3.48Å; L517-N519 PolarHBondContact O-N 3.08Å; L517-L520 PolarHBondContact O-N 3.33Å; L517-V521 HydrophobicContact CD1-CG2 4.31Å; L517-V521 WeakPolarHBondContact O-CB 3.43Å; L517-V521 WeakPolarHBondContact O-CG2 3.25Å; L517-V521 PolarHBondContact O-N 3.16Å
518	T	78.2	Confident	77.9	Confident	73 Å²	73	76.2 Å²	76.2	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-32.3	174.6	55.4	0	0	0	0	112	P514 A515 S522	P514-T518 WeakPolarHBondContact O-CG2 3.41Å; P514-T518 PolarHBondContact O-N 3.42Å; P514-T518 PolarHBondContact O-OG1 3.41Å; P514-T518 VanDerWaalsContact O-OG1 3.13Å; A515-T518 PolarHBondContact O-OG1 3.08Å; T518-S522 WeakPolarHBondContact O-CB 3.41Å; T518-S522 PolarHBondContact O-N 3.38Å
519	N	80.3	Confident	78.4	Confident	5 Å²	5	74.6 Å²	74.6	3%	0.027	37%	0.369	C	S	.	.	H	α-helix	trans	-65.1	-49.5	174.3	-159.7	-63.8	0	0	0	112.5	A515 Y516 L517 S522 I523 L590 E594 K609	A515-N519 VanDerWaalsContact O-CB 3.24Å; A515-N519 WeakPolarHBondContact O-CB 3.39Å; A515-N519 PolarHBondContact O-N 3.49Å; A515-N519 VanDerWaalsContact O-N 3.15Å; Y516-N519 WeakPolarHBondContact O-CB 3.41Å; Y516-N519 PolarHBondContact O-N 2.82Å; L517-N519 PolarHBondContact O-N 3.08Å; N519-S522 PolarHBondContact O-N 3.19Å; N519-I523 WeakPolarHBondContact O-CG1 3.37Å; N519-I523 PolarHBondContact O-N 3.4Å; N519-I523 WeakPolarHBondContact OD1-CD1 3.12Å; N519-L590 HydrophobicContact CB-CD1 4.25Å; N519-L590 HydrophobicContact CB-CD2 4.3Å; N519-L590 HydrophobicContact CB-CG 4.31Å; N519-L590 VanDerWaalsContact ND2-CG 3.3Å; N519-L590 WeakPolarHBondContact ND2-CG 3.35Å; N519-E594 PolarHBondContact ND2-OE1 3.14Å; N519-K609 WeakPolarHBondContact ND2-CE 3.23Å; N519-K609 PolarHBondContact ND2-NZ 2.97Å; N519-K609 PolarHBondContact OD1-NZ 3.33Å
520	L	82.4	Confident	78.9	Confident	104 Å²	104	66 Å²	66	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-61.3	-48.7	178	-177.7	63.9	0	0	0	111.4	Y516 L517 S522 I523 I524	Y516-L520 PolarHBondContact O-N 2.89Å; L517-L520 PolarHBondContact O-N 3.33Å; L520-S522 PolarHBondContact O-N 3.25Å; L520-I523 PolarHBondContact O-N 3.11Å; L520-I524 HydrophobicContact CD1-CD1 3.98Å; L520-I524 HydrophobicContact CD1-CG1 4.46Å; L520-I524 HydrophobicContact CG-CD1 3.9Å; L520-I524 VanDerWaalsContact O-CG1 3.28Å; L520-I524 WeakPolarHBondContact O-CG1 3.12Å; L520-I524 PolarHBondContact O-N 3.15Å
521	V	83.6	Confident	79.3	Confident	87 Å²	87	60.8 Å²	60.8	53%	0.527	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-42.3	178	174	0	0	0	0	111.2	L517 I524 F525	L517-V521 HydrophobicContact CD1-CG2 4.31Å; L517-V521 WeakPolarHBondContact O-CB 3.43Å; L517-V521 WeakPolarHBondContact O-CG2 3.25Å; L517-V521 PolarHBondContact O-N 3.16Å; V521-I524 PolarHBondContact O-N 2.94Å; V521-F525 VanDerWaalsContact O-CB 3.32Å; V521-F525 WeakPolarHBondContact O-CB 3.4Å; V521-F525 PolarHBondContact O-N 3.43Å
522	S	75.7	Confident	79.9	Confident	24 Å²	24	60.1 Å²	60.1	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-46.5	176.9	179.2	0	0	0	0	111.7	T518 N519 L520 I524 F525 M526	T518-S522 WeakPolarHBondContact O-CB 3.41Å; T518-S522 PolarHBondContact O-N 3.38Å; N519-S522 PolarHBondContact O-N 3.19Å; L520-S522 PolarHBondContact O-N 3.25Å; S522-I524 PolarHBondContact O-N 3.32Å; S522-F525 PolarHBondContact O-N 2.92Å; S522-M526 VanDerWaalsContact O-CG 3.26Å; S522-M526 WeakPolarHBondContact O-CG 3.32Å; S522-M526 PolarHBondContact O-N 3.01Å
523	I	82.2	Confident	80.1	Confident	24 Å²	24	60 Å²	60	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-45.4	177.9	-70.8	174.1	0	0	0	111.1	N519 L520 F525 M526 I527 L590 K609 L612	N519-I523 WeakPolarHBondContact O-CG1 3.37Å; N519-I523 PolarHBondContact O-N 3.4Å; N519-I523 WeakPolarHBondContact OD1-CD1 3.12Å; L520-I523 PolarHBondContact O-N 3.11Å; I523-F525 VanDerWaalsContact C-N 3.31Å; I523-F525 PolarHBondContact O-N 2.89Å; I523-M526 PolarHBondContact O-N 2.77Å; I523-I527 HydrophobicContact CG2-CD1 3.8Å; I523-I527 HydrophobicContact CG2-CG1 4.45Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.49Å; I523-I527 PolarHBondContact O-N 3.36Å; I523-L590 HydrophobicContact CD1-CD2 4.48Å; I523-L590 HydrophobicContact CG1-CD2 4.1Å; I523-K609 HydrophobicContact CD1-CD 4.39Å; I523-K609 HydrophobicContact CD1-CG 4Å; I523-L612 HydrophobicContact CG2-CD2 4.12Å
524	I	84.2	Confident	80	Confident	99 Å²	99	55.7 Å²	55.7	51%	0.508	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-42.9	176.7	-68.3	167.5	0	0	0	110.8	L520 V521 S522 I527 A528	L520-I524 HydrophobicContact CD1-CD1 3.98Å; L520-I524 HydrophobicContact CD1-CG1 4.46Å; L520-I524 HydrophobicContact CG-CD1 3.9Å; L520-I524 VanDerWaalsContact O-CG1 3.28Å; L520-I524 WeakPolarHBondContact O-CG1 3.12Å; L520-I524 PolarHBondContact O-N 3.15Å; V521-I524 PolarHBondContact O-N 2.94Å; S522-I524 PolarHBondContact O-N 3.32Å; I524-I527 PolarHBondContact O-N 3.29Å; I524-A528 PolarHBondContact O-N 3.04Å
525	F	83.6	Confident	80.1	Confident	128 Å²	128	56.5 Å²	56.5	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-62	-45.2	175	174.3	-99.5	0	0	0	112.3	V521 S522 I523 I527 A528 V529	V521-F525 VanDerWaalsContact O-CB 3.32Å; V521-F525 WeakPolarHBondContact O-CB 3.4Å; V521-F525 PolarHBondContact O-N 3.43Å; S522-F525 PolarHBondContact O-N 2.92Å; I523-F525 VanDerWaalsContact C-N 3.31Å; I523-F525 PolarHBondContact O-N 2.89Å; F525-I527 VanDerWaalsContact C-N 3.32Å; F525-I527 PolarHBondContact O-N 3.07Å; F525-A528 WeakPolarHBondContact O-CB 3.48Å; F525-A528 PolarHBondContact O-N 3.37Å; F525-A528 VanDerWaalsContact O-N 3.16Å; F525-V529 HydrophobicContact CD1-CG2 4.28Å; F525-V529 HydrophobicContact CE1-CG2 3.81Å; F525-V529 HydrophobicContact CE2-CG2 4.2Å; F525-V529 HydrophobicContact CZ-CG2 3.77Å; F525-V529 WeakPolarHBondContact O-CG2 3.48Å; F525-V529 PolarHBondContact O-N 3.2Å
526	M	77.8	Confident	80.3	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.079	32%	0.323	C	S	.	.	H	α-helix	trans	-63	-38.3	177.4	-61.7	-40.2	-62.7	0	0	112	S522 I523 V529 T530 Y583 I586 L613	S522-M526 VanDerWaalsContact O-CG 3.26Å; S522-M526 WeakPolarHBondContact O-CG 3.32Å; S522-M526 PolarHBondContact O-N 3.01Å; I523-M526 PolarHBondContact O-N 2.77Å; M526-V529 WeakPolarHBondContact O-CB 3.42Å; M526-V529 PolarHBondContact O-N 3.29Å; M526-T530 PolarHBondContact O-N 3.46Å; M526-Y583 HydrophobicContact CE-CD1 3.76Å; M526-Y583 HydrophobicContact CE-CE1 3.2Å; M526-Y583 PolarHBondContact O-OH 2.96Å; M526-I586 HydrophobicContact CE-CD1 3.5Å; M526-I586 HydrophobicContact CG-CG2 4.48Å; M526-I586 HydrophobicContact SD-CD1 3.93Å; M526-L613 HydrophobicContact CB-CD2 3.55Å; M526-L613 HydrophobicContact CG-CD2 4.24Å
527	I	80.4	Confident	79.9	Confident	44 Å²	44	55.6 Å²	55.6	23%	0.226	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-47.5	172.9	-68	165.1	0	0	0	109.9	I523 I524 F525 V529 T530 F531 L612 V616	I523-I527 HydrophobicContact CG2-CD1 3.8Å; I523-I527 HydrophobicContact CG2-CG1 4.45Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.49Å; I523-I527 PolarHBondContact O-N 3.36Å; I524-I527 PolarHBondContact O-N 3.29Å; F525-I527 VanDerWaalsContact C-N 3.32Å; F525-I527 PolarHBondContact O-N 3.07Å; I527-V529 VanDerWaalsContact C-N 3.26Å; I527-V529 PolarHBondContact O-N 2.96Å; I527-T530 PolarHBondContact O-N 2.91Å; I527-T530 VanDerWaalsContact O-N 3.07Å; I527-T530 PolarHBondContact O-OG1 2.93Å; I527-F531 HydrophobicContact CG2-CD2 3.94Å; I527-F531 HydrophobicContact CG2-CE2 3.61Å; I527-F531 VanDerWaalsContact O-CD2 3.28Å; I527-F531 WeakPolarHBondContact O-CD2 3.49Å; I527-F531 PolarHBondContact O-N 2.82Å; I527-L612 HydrophobicContact CD1-CD2 3.8Å; I527-L612 HydrophobicContact CG1-CD2 4.32Å; I527-V616 HydrophobicContact CG2-CG1 4.4Å
528	A	83.9	Confident	79.5	Confident	52 Å²	52	51.9 Å²	51.9	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-36.3	175.3	0	0	0	0	0	112.6	I524 F525 F531 A532	I524-A528 PolarHBondContact O-N 3.04Å; F525-A528 WeakPolarHBondContact O-CB 3.48Å; F525-A528 PolarHBondContact O-N 3.37Å; F525-A528 VanDerWaalsContact O-N 3.16Å; A528-F531 PolarHBondContact O-N 3.26Å; A528-A532 WeakPolarHBondContact O-CB 3.11Å; A528-A532 PolarHBondContact O-N 3.05Å
529	V	80.8	Confident	79.4	Confident	38 Å²	38	51.5 Å²	51.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-41.3	173.3	169.7	0	0	0	0	111.9	F525 M526 I527 F531 A532 I533	F525-V529 HydrophobicContact CD1-CG2 4.28Å; F525-V529 HydrophobicContact CE1-CG2 3.81Å; F525-V529 HydrophobicContact CE2-CG2 4.2Å; F525-V529 HydrophobicContact CZ-CG2 3.77Å; F525-V529 WeakPolarHBondContact O-CG2 3.48Å; F525-V529 PolarHBondContact O-N 3.2Å; M526-V529 WeakPolarHBondContact O-CB 3.42Å; M526-V529 PolarHBondContact O-N 3.29Å; I527-V529 VanDerWaalsContact C-N 3.26Å; I527-V529 PolarHBondContact O-N 2.96Å; V529-F531 VanDerWaalsContact C-N 3.34Å; V529-F531 PolarHBondContact O-N 3.43Å; V529-A532 PolarHBondContact O-N 3.49Å; V529-I533 HydrophobicContact CG1-CD1 3.76Å; V529-I533 HydrophobicContact CG1-CG1 4.39Å; V529-I533 WeakPolarHBondContact O-CB 3.38Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.1Å
530	T	77.5	Confident	79.4	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-43.2	174.2	62.9	0	0	0	0	112	M526 I527 I533 V534 L579 Y583 V616 N617	M526-T530 PolarHBondContact O-N 3.46Å; I527-T530 PolarHBondContact O-N 2.91Å; I527-T530 VanDerWaalsContact O-N 3.07Å; I527-T530 PolarHBondContact O-OG1 2.93Å; T530-I533 PolarHBondContact O-N 3.01Å; T530-V534 WeakPolarHBondContact O-CG2 3.4Å; T530-V534 PolarHBondContact O-N 3.47Å; T530-L579 HydrophobicContact CG2-CD2 4.5Å; T530-Y583 HydrophobicContact CG2-CE2 3.65Å; T530-Y583 WeakPolarHBondContact CG2-OH 3.32Å; T530-V616 HydrophobicContact CG2-CG1 4.07Å; T530-V616 WeakPolarHBondContact OG1-CG1 3.4Å; T530-N617 HydrophobicContact CG2-CB 4.37Å
531	F	79.3	Confident	78.9	Confident	109 Å²	109	50.4 Å²	50.4	48%	0.478	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-40.9	177.7	-75.1	-69.9	0	0	0	111.7	I527 A528 V529 I533 V534 L535 T620	I527-F531 HydrophobicContact CG2-CD2 3.94Å; I527-F531 HydrophobicContact CG2-CE2 3.61Å; I527-F531 VanDerWaalsContact O-CD2 3.28Å; I527-F531 WeakPolarHBondContact O-CD2 3.49Å; I527-F531 PolarHBondContact O-N 2.82Å; A528-F531 PolarHBondContact O-N 3.26Å; V529-F531 VanDerWaalsContact C-N 3.34Å; V529-F531 PolarHBondContact O-N 3.43Å; F531-I533 VanDerWaalsContact C-N 3.33Å; F531-I533 PolarHBondContact O-N 3.47Å; F531-V534 PolarHBondContact O-N 2.99Å; F531-L535 WeakPolarHBondContact O-CB 3.44Å; F531-L535 VanDerWaalsContact O-CG 3.3Å; F531-L535 WeakPolarHBondContact O-CG 3.43Å; F531-L535 PolarHBondContact O-N 2.89Å; F531-T620 HydrophobicContact CD1-CG2 3.78Å; F531-T620 HydrophobicContact CE1-CG2 3.63Å; F531-T620 HydrophobicContact CZ-CG2 4.42Å
532	A	80.8	Confident	78.4	Confident	60 Å²	60	47.8 Å²	47.8	50%	0.496	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-38.5	174.7	0	0	0	0	0	112.5	A528 V529 L535 G536	A528-A532 WeakPolarHBondContact O-CB 3.11Å; A528-A532 PolarHBondContact O-N 3.05Å; V529-A532 PolarHBondContact O-N 3.49Å; A532-L535 PolarHBondContact O-N 2.88Å; A532-G536 PolarHBondContact O-N 3.02Å
533	I	77.4	Confident	78.3	Confident	46 Å²	46	49.1 Å²	49.1	24%	0.236	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-43.7	175.9	-73.3	168.7	0	0	0	111.2	V529 T530 F531 L535 G536 V537 V575 L579	V529-I533 HydrophobicContact CG1-CD1 3.76Å; V529-I533 HydrophobicContact CG1-CG1 4.39Å; V529-I533 WeakPolarHBondContact O-CB 3.38Å; V529-I533 WeakPolarHBondContact O-CG1 3.48Å; V529-I533 PolarHBondContact O-N 3.1Å; T530-I533 PolarHBondContact O-N 3.01Å; F531-I533 VanDerWaalsContact C-N 3.33Å; F531-I533 PolarHBondContact O-N 3.47Å; I533-L535 PolarHBondContact O-N 3.28Å; I533-G536 CarbonylContact O-C 3.58Å; I533-G536 WeakPolarHBondContact O-CA 3.37Å; I533-G536 PolarHBondContact O-N 3.44Å; I533-V537 PolarHBondContact O-N 3.24Å; I533-V575 HydrophobicContact CG2-CG1 3.52Å; I533-L579 HydrophobicContact CD1-CD1 4.08Å; I533-L579 HydrophobicContact CD1-CD2 3.53Å; I533-L579 HydrophobicContact CD1-CG 4.46Å
534	V	76.8	Confident	77.8	Confident	15 Å²	15	50.8 Å²	50.8	9%	0.091	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-41.7	176.4	172	0	0	0	0	111.2	T530 F531 G536 V537 I538 T620 P621	T530-V534 WeakPolarHBondContact O-CG2 3.4Å; T530-V534 PolarHBondContact O-N 3.47Å; F531-V534 PolarHBondContact O-N 2.99Å; V534-G536 VanDerWaalsContact C-N 3.29Å; V534-G536 PolarHBondContact O-N 3.29Å; V534-V537 PolarHBondContact O-N 3.29Å; V534-I538 HydrophobicContact CG1-CD1 3.96Å; V534-I538 WeakPolarHBondContact O-CD1 3.26Å; V534-I538 VanDerWaalsContact O-CG1 3.27Å; V534-I538 WeakPolarHBondContact O-CG1 3.33Å; V534-I538 PolarHBondContact O-N 2.88Å; V534-T620 HydrophobicContact CB-CG2 4.35Å; V534-T620 HydrophobicContact CG1-CG2 4.45Å; V534-T620 HydrophobicContact CG2-CG2 3.9Å; V534-P621 HydrophobicContact CG2-CG 3.87Å
535	L	77.8	Confident	77.1	Confident	94 Å²	94	47.9 Å²	47.9	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-39.2	169.9	-70.6	169.7	0	0	0	112	F531 A532 I533 I538 I539	F531-L535 WeakPolarHBondContact O-CB 3.44Å; F531-L535 VanDerWaalsContact O-CG 3.3Å; F531-L535 WeakPolarHBondContact O-CG 3.43Å; F531-L535 PolarHBondContact O-N 2.89Å; A532-L535 PolarHBondContact O-N 2.88Å; I533-L535 PolarHBondContact O-N 3.28Å; L535-I538 HydrophobicContact CD2-CD1 4.4Å; L535-I538 PolarHBondContact O-N 3.16Å; L535-I539 VanDerWaalsContact O-CG1 3.27Å; L535-I539 WeakPolarHBondContact O-CG1 3.17Å; L535-I539 PolarHBondContact O-N 3.37Å
536	G	78.8	Confident	76.4	Confident	37 Å²	37	44.2 Å²	44.2	38%	0.381	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-42.7	173.1	0	0	0	0	0	113.6	A532 I533 V534 I538 I539 Y540	A532-G536 PolarHBondContact O-N 3.02Å; I533-G536 CarbonylContact O-C 3.58Å; I533-G536 WeakPolarHBondContact O-CA 3.37Å; I533-G536 PolarHBondContact O-N 3.44Å; V534-G536 VanDerWaalsContact C-N 3.29Å; V534-G536 PolarHBondContact O-N 3.29Å; G536-I538 VanDerWaalsContact C-N 3.35Å; G536-I539 PolarHBondContact O-N 2.94Å; G536-Y540 WeakPolarHBondContact O-CB 2.97Å; G536-Y540 PolarHBondContact O-N 3.14Å
537	V	73.6	Confident	76	Confident	20 Å²	20	46.1 Å²	46.1	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-66.4	-36.3	175.3	174	0	0	0	0	111.6	I533 V534 Y540 R541 N572	I533-V537 PolarHBondContact O-N 3.24Å; V534-V537 PolarHBondContact O-N 3.29Å; V537-Y540 PolarHBondContact O-N 3.22Å; V537-R541 PolarHBondContact O-N 3.44Å; V537-N572 HydrophobicContact CG1-CB 4.21Å
538	I	74.5	Confident	75.4	Confident	11 Å²	11	45.4 Å²	45.4	6%	0.056	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-47	174.1	-66.8	157.5	0	0	0	110.4	V534 L535 G536 Y540 R541 I542 Y624	V534-I538 HydrophobicContact CG1-CD1 3.96Å; V534-I538 WeakPolarHBondContact O-CD1 3.26Å; V534-I538 VanDerWaalsContact O-CG1 3.27Å; V534-I538 WeakPolarHBondContact O-CG1 3.33Å; V534-I538 PolarHBondContact O-N 2.88Å; L535-I538 HydrophobicContact CD2-CD1 4.4Å; L535-I538 PolarHBondContact O-N 3.16Å; G536-I538 VanDerWaalsContact C-N 3.35Å; I538-Y540 VanDerWaalsContact C-N 3.33Å; I538-Y540 PolarHBondContact O-N 3.1Å; I538-R541 WeakPolarHBondContact O-CB 3.38Å; I538-R541 PolarHBondContact O-N 3.42Å; I538-I542 HydrophobicContact CG2-CD1 3.88Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.07Å; I538-Y624 HydrophobicContact CD1-CD1 3.91Å; I538-Y624 HydrophobicContact CD1-CD2 3.79Å; I538-Y624 HydrophobicContact CD1-CE1 3.58Å; I538-Y624 HydrophobicContact CD1-CE2 3.44Å; I538-Y624 VanDerWaalsContact CD1-CE2 3.44Å; I538-Y624 HydrophobicContact CD1-CG 4.02Å; I538-Y624 HydrophobicContact CG1-CD1 4.21Å; I538-Y624 HydrophobicContact CG1-CE1 3.69Å; I538-Y624 HydrophobicContact CG1-CE2 4.41Å
539	I	76.6	Confident	74.3	Confident	65 Å²	65	43.6 Å²	43.6	33%	0.333	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-43.9	175.8	-67.6	162.7	0	0	0	110.4	L535 G536 R541 I542 S543	L535-I539 VanDerWaalsContact O-CG1 3.27Å; L535-I539 WeakPolarHBondContact O-CG1 3.17Å; L535-I539 PolarHBondContact O-N 3.37Å; G536-I539 PolarHBondContact O-N 2.94Å; I539-R541 PolarHBondContact O-N 3.32Å; I539-I542 PolarHBondContact O-N 2.73Å; I539-S543 WeakPolarHBondContact O-CB 3.47Å; I539-S543 PolarHBondContact O-N 3.02Å; I539-S543 PolarHBondContact O-OG 3.34Å
540	Y	79.3	Confident	73.6	Confident	70 Å²	70	48.9 Å²	48.9	28%	0.275	29%	0.289	S	S	.	.	H	α-helix	trans	-56.3	-46.9	173.7	169.5	-95.1	0	0	0	112.4	G536 V537 I538 I542 S543 M544 A568 I571	G536-Y540 WeakPolarHBondContact O-CB 2.97Å; G536-Y540 PolarHBondContact O-N 3.14Å; V537-Y540 PolarHBondContact O-N 3.22Å; I538-Y540 VanDerWaalsContact C-N 3.33Å; I538-Y540 PolarHBondContact O-N 3.1Å; Y540-I542 PolarHBondContact O-N 3.32Å; Y540-S543 PolarHBondContact O-N 3.16Å; Y540-M544 HydrophobicContact CD1-CG 4.41Å; Y540-M544 HydrophobicContact CD2-CG 3.9Å; Y540-M544 HydrophobicContact CE1-CG 3.95Å; Y540-M544 HydrophobicContact CE2-CG 3.38Å; Y540-M544 HydrophobicContact CE2-SD 3.98Å; Y540-M544 HydrophobicContact CG-CG 4.38Å; Y540-M544 VanDerWaalsContact CZ-CG 3.4Å; Y540-M544 WeakPolarHBondContact O-CB 3.3Å; Y540-M544 WeakPolarHBondContact O-CG 3.1Å; Y540-M544 PolarHBondContact O-N 3.07Å; Y540-A568 HydrophobicContact CD1-CB 4.24Å; Y540-A568 HydrophobicContact CE1-CB 4.09Å; Y540-I571 HydrophobicContact CD1-CD1 4.42Å; Y540-I571 HydrophobicContact CE1-CD1 3.54Å; Y540-I571 HydrophobicContact CE2-CD1 4.03Å; Y540-I571 WeakPolarHBondContact OH-CD1 3.48Å
541	R	73.4	Confident	73.2	Confident	16 Å²	16	51.6 Å²	51.6	6%	0.06	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-48.9	176.2	-82.8	-177.7	167.1	-131.8	-1	112	V537 I538 I539 M544 A545 V564 A568 E649 E659	V537-R541 PolarHBondContact O-N 3.44Å; I538-R541 WeakPolarHBondContact O-CB 3.38Å; I538-R541 PolarHBondContact O-N 3.42Å; I539-R541 PolarHBondContact O-N 3.32Å; R541-M544 PolarHBondContact O-N 3.21Å; R541-A545 VanDerWaalsContact O-CB 3.3Å; R541-A545 WeakPolarHBondContact O-CB 2.99Å; R541-A545 PolarHBondContact O-N 3.34Å; R541-V564 HydrophobicContact CG-CG1 4.5Å; R541-A568 HydrophobicContact CG-CB 3.37Å; R541-A568 VanDerWaalsContact NE-CB 3.29Å; R541-E649 IonicContact NH1-OE1 3.6Å; R541-E659 IonicContact NH1-OE2 3.82Å
542	I	71.4	Confident	72.2	Confident	32 Å²	32	52.2 Å²	52.2	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-46.7	-179.4	-63.9	165.1	0	0	0	110.2	I538 I539 Y540 A545 A546 F646	I538-I542 HydrophobicContact CG2-CD1 3.88Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.07Å; I539-I542 PolarHBondContact O-N 2.73Å; Y540-I542 PolarHBondContact O-N 3.32Å; I542-A545 PolarHBondContact O-N 2.85Å; I542-A546 PolarHBondContact O-N 2.64Å; I542-F646 HydrophobicContact CG2-CB 4.24Å; I542-F646 HydrophobicContact CG2-CD1 3.79Å; I542-F646 HydrophobicContact CG2-CG 4.37Å
543	S	73.8	Confident	71.5	Confident	51 Å²	51	51.3 Å²	51.3	36%	0.357	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-42.8	178.3	-60	0	0	0	0	112.8	I539 Y540 A546 A547	I539-S543 WeakPolarHBondContact O-CB 3.47Å; I539-S543 PolarHBondContact O-N 3.02Å; I539-S543 PolarHBondContact O-OG 3.34Å; Y540-S543 PolarHBondContact O-N 3.16Å; S543-A546 PolarHBondContact O-N 3.26Å; S543-A547 WeakPolarHBondContact O-CB 3.16Å; S543-A547 PolarHBondContact O-N 3.29Å
544	M	73.3	Confident	70.9	Confident	59 Å²	59	53.9 Å²	53.9	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-70.9	-36.4	178.5	-73.5	-57.8	-56.8	0	0	113.1	Y540 R541 A547 L548 V564	Y540-M544 HydrophobicContact CD1-CG 4.41Å; Y540-M544 HydrophobicContact CD2-CG 3.9Å; Y540-M544 HydrophobicContact CE1-CG 3.95Å; Y540-M544 HydrophobicContact CE2-CG 3.38Å; Y540-M544 HydrophobicContact CE2-SD 3.98Å; Y540-M544 HydrophobicContact CG-CG 4.38Å; Y540-M544 VanDerWaalsContact CZ-CG 3.4Å; Y540-M544 WeakPolarHBondContact O-CB 3.3Å; Y540-M544 WeakPolarHBondContact O-CG 3.1Å; Y540-M544 PolarHBondContact O-N 3.07Å; R541-M544 PolarHBondContact O-N 3.21Å; M544-A547 PolarHBondContact O-N 3.06Å; M544-L548 HydrophobicContact CE-CD1 4.11Å; M544-L548 HydrophobicContact CE-CG 4.32Å; M544-L548 WeakPolarHBondContact O-CB 3.33Å; M544-L548 WeakPolarHBondContact O-CG 3.25Å; M544-L548 PolarHBondContact O-N 3.24Å; M544-V564 HydrophobicContact CB-CG2 4.38Å
545	A	68	Low	70.2	Confident	39 Å²	39	57.4 Å²	57.4	32%	0.322	36%	0.356	S	S	.	.	H	α-helix	trans	-61.5	-45.1	173.4	0	0	0	0	0	111.1	R541 I542 A549 V564	R541-A545 VanDerWaalsContact O-CB 3.3Å; R541-A545 WeakPolarHBondContact O-CB 2.99Å; R541-A545 PolarHBondContact O-N 3.34Å; I542-A545 PolarHBondContact O-N 2.85Å; A545-A549 VanDerWaalsContact O-CB 3.28Å; A545-A549 WeakPolarHBondContact O-CB 3.29Å; A545-A549 PolarHBondContact O-N 3.25Å; A545-V564 HydrophobicContact CB-CG1 4.45Å
546	A	68.5	Low	69.4	Low	50 Å²	50	55.2 Å²	55.2	41%	0.413	35%	0.346	S	S	.	.	H	α-helix	trans	-62.9	-48.2	174.7	0	0	0	0	0	112.2	I542 S543 L548 A549 M550	I542-A546 PolarHBondContact O-N 2.64Å; S543-A546 PolarHBondContact O-N 3.26Å; A546-L548 PolarHBondContact O-N 3.45Å; A546-A549 PolarHBondContact O-N 3.15Å; A546-M550 WeakPolarHBondContact O-CG 3.35Å; A546-M550 PolarHBondContact O-N 2.98Å
547	A	69.6	Low	68.7	Low	56 Å²	56	58.6 Å²	58.6	46%	0.463	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-40.4	-179.1	0	0	0	0	0	113.1	S543 M544 M550	S543-A547 WeakPolarHBondContact O-CB 3.16Å; S543-A547 PolarHBondContact O-N 3.29Å; M544-A547 PolarHBondContact O-N 3.06Å; A547-M550 PolarHBondContact O-N 3.39Å
548	L	67.9	Low	68.2	Low	29 Å²	29	62 Å²	62	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-76.1	-25.6	177.4	-71	168.1	0	0	0	112.8	M544 A546 M550 N551 V556 I560 V564	M544-L548 HydrophobicContact CE-CD1 4.11Å; M544-L548 HydrophobicContact CE-CG 4.32Å; M544-L548 WeakPolarHBondContact O-CB 3.33Å; M544-L548 WeakPolarHBondContact O-CG 3.25Å; M544-L548 PolarHBondContact O-N 3.24Å; A546-L548 PolarHBondContact O-N 3.45Å; L548-M550 PolarHBondContact O-N 2.82Å; L548-N551 WeakPolarHBondContact O-CB 3.49Å; L548-N551 PolarHBondContact O-N 3.31Å; L548-V556 HydrophobicContact CD2-CG1 3.9Å; L548-I560 HydrophobicContact CB-CG1 4.16Å; L548-I560 HydrophobicContact CB-CG2 3.98Å; L548-V564 HydrophobicContact CD1-CG2 3.58Å
549	A	61.6	Low	67.8	Low	14 Å²	14	65.6 Å²	65.6	12%	0.116	39%	0.391	C	S	.	.	H	α-helix	trans	-68.8	-22.4	170	0	0	0	0	0	113.3	A545 A546 I560	A545-A549 VanDerWaalsContact O-CB 3.28Å; A545-A549 WeakPolarHBondContact O-CB 3.29Å; A545-A549 PolarHBondContact O-N 3.25Å; A546-A549 PolarHBondContact O-N 3.15Å; A549-I560 HydrophobicContact CB-CD1 4.1Å
550	M	66.4	Low	67.5	Low	150 Å²	150	63.8 Å²	63.8	74%	0.739	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.7	174.2	-64.7	176.2	68.4	0	0	113.8	A546 A547 L548	A546-M550 WeakPolarHBondContact O-CG 3.35Å; A546-M550 PolarHBondContact O-N 2.98Å; A547-M550 PolarHBondContact O-N 3.39Å; L548-M550 PolarHBondContact O-N 2.82Å
551	N	69.2	Low	66.9	Low	60 Å²	60	66.1 Å²	66.1	32%	0.321	39%	0.39	S	S	.	.			trans	-75.7	131.9	-178.1	-170.5	-27.9	0	0	0	111	L548 S553	L548-N551 WeakPolarHBondContact O-CB 3.49Å; L548-N551 PolarHBondContact O-N 3.31Å; N551-S553 PolarHBondContact O-N 3.4Å; N551-S553 PolarHBondContact OD1-N 2.91Å; N551-S553 VanDerWaalsContact OD1-N 3.12Å; N551-S553 PolarHBondContact OD1-OG 3.33Å
552	S	57.4	Low	66.9	Low	122 Å²	122	70.2 Å²	70.2	85%	0.853	42%	0.417	S	S	*	.	S	Bend	trans	-71.6	-7.9	-177	49.6	0	0	0	0	115.1	P554	S552-P554 WeakPolarHBondContact O-CD 3.44Å
553	S	67.4	Low	67.2	Low	41 Å²	41	71.7 Å²	71.7	29%	0.287	43%	0.428	S	S	.	.			trans	-90.6	114.5	-179.4	52.8	0	0	0	0	112.8	N551 S555 V556 R557	N551-S553 PolarHBondContact O-N 3.4Å; N551-S553 PolarHBondContact OD1-N 2.91Å; N551-S553 VanDerWaalsContact OD1-N 3.12Å; N551-S553 PolarHBondContact OD1-OG 3.33Å; S553-S555 VanDerWaalsContact C-N 3.32Å; S553-S555 PolarHBondContact O-N 2.91Å; S553-V556 PolarHBondContact O-N 2.93Å; S553-V556 WeakPolarHBondContact OG-CB 3.16Å; S553-V556 WeakPolarHBondContact OG-CG2 3.36Å; S553-R557 PolarHBondContact O-N 3.11Å; S553-R557 VanDerWaalsContact O-N 3.08Å
554	P	64.7	Low	67.4	Low	100 Å²	100	69.7 Å²	69.7	65%	0.649	41%	0.413	S	S	*	.	H	α-helix	trans	-65	-31	-172.9	23.1	-32.9	0	0	0	113.7	S552 V556 R557 S558	S552-P554 WeakPolarHBondContact O-CD 3.44Å; P554-V556 VanDerWaalsContact C-N 3.26Å; P554-V556 PolarHBondContact O-N 2.75Å; P554-R557 PolarHBondContact O-N 3.43Å; P554-R557 VanDerWaalsContact O-N 3.17Å; P554-S558 PolarHBondContact O-N 3.31Å; P554-S558 PolarHBondContact O-OG 3.48Å
555	S	60.7	Low	67.6	Low	90 Å²	90	68.2 Å²	68.2	63%	0.629	41%	0.408	S	S	*	.	H	α-helix	trans	-66.1	-26	175.4	-46.2	0	0	0	0	113.6	S553 S558 N559	S553-S555 VanDerWaalsContact C-N 3.32Å; S553-S555 PolarHBondContact O-N 2.91Å; S555-S558 PolarHBondContact O-OG 3.24Å; S555-N559 PolarHBondContact O-ND2 3.32Å
556	V	61.7	Low	68.1	Low	48 Å²	48	68.3 Å²	68.3	29%	0.291	41%	0.408	S	S	.	.	H	α-helix	trans	-81.7	-41.1	171.2	179.4	0	0	0	0	109.5	L548 S553 P554 S558 N559 I560	L548-V556 HydrophobicContact CD2-CG1 3.9Å; S553-V556 PolarHBondContact O-N 2.93Å; S553-V556 WeakPolarHBondContact OG-CB 3.16Å; S553-V556 WeakPolarHBondContact OG-CG2 3.36Å; P554-V556 VanDerWaalsContact C-N 3.26Å; P554-V556 PolarHBondContact O-N 2.75Å; V556-S558 VanDerWaalsContact C-N 3.31Å; V556-S558 PolarHBondContact O-N 3.23Å; V556-N559 PolarHBondContact O-N 2.88Å; V556-N559 VanDerWaalsContact O-N 3.11Å; V556-I560 VanDerWaalsContact O-CG1 3.3Å; V556-I560 WeakPolarHBondContact O-CG1 3.49Å; V556-I560 PolarHBondContact O-N 2.95Å; V556-I560 VanDerWaalsContact O-N 3.1Å
557	R	63.1	Low	68.8	Low	107 Å²	107	68.2 Å²	68.2	40%	0.404	40%	0.403	S	S	.	.	H	α-helix	trans	-59.4	-36	178.7	-159	176.3	-176.4	-168.6	-0.4	112.9	T385 S553 P554 I560 D851	T385-R557 PolarHBondContact O-NH2 2.72Å; T385-R557 VanDerWaalsContact O-NH2 3.14Å; S553-R557 PolarHBondContact O-N 3.11Å; S553-R557 VanDerWaalsContact O-N 3.08Å; P554-R557 PolarHBondContact O-N 3.43Å; P554-R557 VanDerWaalsContact O-N 3.17Å; R557-I560 HydrophobicContact CB-CD1 4.48Å; R557-I560 HydrophobicContact CG-CD1 4.06Å; R557-I560 WeakPolarHBondContact O-CD1 3.45Å; R557-I560 WeakPolarHBondContact O-CG1 3.37Å; R557-D851 IonicContact NH2-OD2 3.5Å
558	S	64.4	Low	69.3	Low	91 Å²	91	65.6 Å²	65.6	64%	0.636	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-27	176.1	59.8	0	0	0	0	114.4	P554 S555 V556	P554-S558 PolarHBondContact O-N 3.31Å; P554-S558 PolarHBondContact O-OG 3.48Å; S555-S558 PolarHBondContact O-OG 3.24Å; V556-S558 VanDerWaalsContact C-N 3.31Å; V556-S558 PolarHBondContact O-N 3.23Å
559	N	65.2	Low	69.9	Low	87 Å²	87	64.4 Å²	64.4	47%	0.465	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	3	-174.8	-71	-68.2	0	0	0	114.6	S555 V556 R561 V562 T563	S555-N559 PolarHBondContact O-ND2 3.32Å; V556-N559 PolarHBondContact O-N 2.88Å; V556-N559 VanDerWaalsContact O-N 3.11Å; N559-R561 VanDerWaalsContact C-N 3.27Å; N559-R561 PolarHBondContact O-N 3.17Å; N559-R561 VanDerWaalsContact O-N 3.1Å; N559-V562 PolarHBondContact O-N 2.81Å; N559-V562 VanDerWaalsContact O-N 3.12Å; N559-T563 PolarHBondContact O-N 3.01Å; N559-T563 VanDerWaalsContact O-N 3.12Å; N559-T563 PolarHBondContact O-OG1 3.34Å
560	I	69.8	Low	70.9	Confident	27 Å²	27	68.4 Å²	68.4	14%	0.138	39%	0.393	C	S	.	.	H	α-helix	trans	-44.7	-50.9	-175.2	-60.7	169.1	0	0	0	111.9	L548 A549 V556 R557 V562 T563 V564	L548-I560 HydrophobicContact CB-CG1 4.16Å; L548-I560 HydrophobicContact CB-CG2 3.98Å; A549-I560 HydrophobicContact CB-CD1 4.1Å; V556-I560 VanDerWaalsContact O-CG1 3.3Å; V556-I560 WeakPolarHBondContact O-CG1 3.49Å; V556-I560 PolarHBondContact O-N 2.95Å; V556-I560 VanDerWaalsContact O-N 3.1Å; R557-I560 HydrophobicContact CB-CD1 4.48Å; R557-I560 HydrophobicContact CG-CD1 4.06Å; R557-I560 WeakPolarHBondContact O-CD1 3.45Å; R557-I560 WeakPolarHBondContact O-CG1 3.37Å; I560-V562 PolarHBondContact O-N 2.73Å; I560-T563 PolarHBondContact O-N 2.83Å; I560-V564 HydrophobicContact CG2-CG2 3.84Å; I560-V564 WeakPolarHBondContact O-CB 3.43Å; I560-V564 VanDerWaalsContact O-CG2 3.29Å; I560-V564 WeakPolarHBondContact O-CG2 3.31Å; I560-V564 PolarHBondContact O-N 3.14Å
561	R	68.3	Low	71.7	Confident	119 Å²	119	64.2 Å²	64.2	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-43.8	-173	-167.6	-171.5	-59	-107.2	4.5	112.3	N559 T565	N559-R561 VanDerWaalsContact C-N 3.27Å; N559-R561 PolarHBondContact O-N 3.17Å; N559-R561 VanDerWaalsContact O-N 3.1Å; R561-T565 VanDerWaalsContact O-CB 3.24Å; R561-T565 WeakPolarHBondContact O-CB 3.28Å; R561-T565 PolarHBondContact O-N 3.29Å; R561-T565 VanDerWaalsContact O-N 3.09Å; R561-T565 PolarHBondContact O-OG1 3.29Å
562	V	73.6	Confident	72.4	Confident	102 Å²	102	61.7 Å²	61.7	62%	0.618	36%	0.36	S	S	*	.	H	α-helix	trans	-68.8	-47.9	-179.8	179.4	0	0	0	0	109.5	N559 I560 T565 A566	N559-V562 PolarHBondContact O-N 2.81Å; N559-V562 VanDerWaalsContact O-N 3.12Å; I560-V562 PolarHBondContact O-N 2.73Å; V562-T565 PolarHBondContact O-N 3.46Å; V562-A566 VanDerWaalsContact O-CB 3.3Å; V562-A566 WeakPolarHBondContact O-CB 3.31Å; V562-A566 PolarHBondContact O-N 3.49Å
563	T	76.5	Confident	73.6	Confident	63 Å²	63	56.3 Å²	56.3	39%	0.387	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-51.6	-179.9	-55.7	0	0	0	0	112	N559 I560 T565 A566 T567	N559-T563 PolarHBondContact O-N 3.01Å; N559-T563 VanDerWaalsContact O-N 3.12Å; N559-T563 PolarHBondContact O-OG1 3.34Å; I560-T563 PolarHBondContact O-N 2.83Å; T563-T565 PolarHBondContact O-N 2.95Å; T563-A566 PolarHBondContact O-N 3.5Å; T563-T567 HydrophobicContact CG2-CG2 4.39Å; T563-T567 WeakPolarHBondContact O-CG2 3.08Å; T563-T567 PolarHBondContact O-N 3.11Å; T563-T567 PolarHBondContact O-OG1 3.28Å
564	V	78.7	Confident	74.4	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.055	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-41.8	179.1	173.1	0	0	0	0	111.6	R541 M544 A545 L548 I560 T567 A568	R541-V564 HydrophobicContact CG-CG1 4.5Å; M544-V564 HydrophobicContact CB-CG2 4.38Å; A545-V564 HydrophobicContact CB-CG1 4.45Å; L548-V564 HydrophobicContact CD1-CG2 3.58Å; I560-V564 HydrophobicContact CG2-CG2 3.84Å; I560-V564 WeakPolarHBondContact O-CB 3.43Å; I560-V564 VanDerWaalsContact O-CG2 3.29Å; I560-V564 WeakPolarHBondContact O-CG2 3.31Å; I560-V564 PolarHBondContact O-N 3.14Å; V564-T567 PolarHBondContact O-OG1 3.25Å; V564-A568 WeakPolarHBondContact O-CB 3.38Å; V564-A568 PolarHBondContact O-N 3.34Å
565	T	76.4	Confident	75.3	Confident	28 Å²	28	55.4 Å²	55.4	17%	0.172	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-47.1	179.2	-56.6	0	0	0	0	110.5	R561 V562 T563 V569	R561-T565 VanDerWaalsContact O-CB 3.24Å; R561-T565 WeakPolarHBondContact O-CB 3.28Å; R561-T565 PolarHBondContact O-N 3.29Å; R561-T565 VanDerWaalsContact O-N 3.09Å; R561-T565 PolarHBondContact O-OG1 3.29Å; V562-T565 PolarHBondContact O-N 3.46Å; T563-T565 PolarHBondContact O-N 2.95Å; T565-V569 VanDerWaalsContact O-CG2 3.31Å; T565-V569 WeakPolarHBondContact O-CG2 3.4Å; T565-V569 PolarHBondContact O-N 2.78Å
566	A	79.4	Confident	76.4	Confident	41 Å²	41	51.2 Å²	51.2	34%	0.339	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-50.3	-179.8	0	0	0	0	0	112.4	V562 T563 A568 V569 I570	V562-A566 VanDerWaalsContact O-CB 3.3Å; V562-A566 WeakPolarHBondContact O-CB 3.31Å; V562-A566 PolarHBondContact O-N 3.49Å; T563-A566 PolarHBondContact O-N 3.5Å; A566-A568 VanDerWaalsContact C-N 3.32Å; A566-A568 PolarHBondContact O-N 2.88Å; A566-V569 PolarHBondContact O-N 2.9Å; A566-I570 VanDerWaalsContact O-CG1 3.3Å; A566-I570 WeakPolarHBondContact O-CG1 3.49Å; A566-I570 PolarHBondContact O-N 3.33Å
567	T	82.7	Confident	77.4	Confident	49 Å²	49	50.2 Å²	50.2	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-40.2	179.7	57.4	0	0	0	0	111.7	T563 V564 I570 I571	T563-T567 HydrophobicContact CG2-CG2 4.39Å; T563-T567 WeakPolarHBondContact O-CG2 3.08Å; T563-T567 PolarHBondContact O-N 3.11Å; T563-T567 PolarHBondContact O-OG1 3.28Å; V564-T567 PolarHBondContact O-OG1 3.25Å; T567-I570 PolarHBondContact O-N 2.89Å; T567-I571 WeakPolarHBondContact O-CB 3.39Å; T567-I571 WeakPolarHBondContact O-CG1 3.28Å; T567-I571 PolarHBondContact O-N 3.47Å
568	A	80.8	Confident	78.4	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	29%	0.285	C	S	.	.	H	α-helix	trans	-69.2	-35.4	178	0	0	0	0	0	113.3	Y540 R541 V564 A566 N572	Y540-A568 HydrophobicContact CD1-CB 4.24Å; Y540-A568 HydrophobicContact CE1-CB 4.09Å; R541-A568 HydrophobicContact CG-CB 3.37Å; R541-A568 VanDerWaalsContact NE-CB 3.29Å; V564-A568 WeakPolarHBondContact O-CB 3.38Å; V564-A568 PolarHBondContact O-N 3.34Å; A566-A568 VanDerWaalsContact C-N 3.32Å; A566-A568 PolarHBondContact O-N 2.88Å; A568-N572 WeakPolarHBondContact O-CB 3.34Å; A568-N572 PolarHBondContact O-N 2.93Å
569	V	79.7	Confident	79.4	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.024	26%	0.26	C	S	.	.	H	α-helix	trans	-66.4	-40.8	172.2	174.9	0	0	0	0	110.7	T565 A566 N572 L573 Q663 I666	T565-V569 VanDerWaalsContact O-CG2 3.31Å; T565-V569 WeakPolarHBondContact O-CG2 3.4Å; T565-V569 PolarHBondContact O-N 2.78Å; A566-V569 PolarHBondContact O-N 2.9Å; V569-N572 PolarHBondContact O-N 2.88Å; V569-L573 WeakPolarHBondContact O-CB 3.44Å; V569-L573 PolarHBondContact O-N 3.43Å; V569-Q663 HydrophobicContact CG2-CB 4.39Å; V569-Q663 HydrophobicContact CG2-CG 4.39Å; V569-I666 HydrophobicContact CG1-CB 3.82Å; V569-I666 HydrophobicContact CG1-CD1 4.01Å; V569-I666 HydrophobicContact CG1-CG2 3.59Å
570	I	82.6	Confident	80.3	Confident	97 Å²	97	43.3 Å²	43.3	50%	0.497	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-46.1	177.2	-67.5	164.4	0	0	0	111.2	A566 T567 N572 L573 V574	A566-I570 VanDerWaalsContact O-CG1 3.3Å; A566-I570 WeakPolarHBondContact O-CG1 3.49Å; A566-I570 PolarHBondContact O-N 3.33Å; T567-I570 PolarHBondContact O-N 2.89Å; I570-N572 VanDerWaalsContact C-N 3.35Å; I570-N572 PolarHBondContact O-N 3.4Å; I570-L573 WeakPolarHBondContact O-CB 3.42Å; I570-L573 PolarHBondContact O-N 3.49Å; I570-V574 WeakPolarHBondContact O-CG2 3.49Å; I570-V574 PolarHBondContact O-N 3.09Å
571	I	84.4	Confident	81	Confident	63 Å²	63	48 Å²	48	32%	0.323	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-44.4	176.7	-72.4	163.6	0	0	0	110.5	Y540 T567 L573 V574 V575	Y540-I571 HydrophobicContact CD1-CD1 4.42Å; Y540-I571 HydrophobicContact CE1-CD1 3.54Å; Y540-I571 HydrophobicContact CE2-CD1 4.03Å; Y540-I571 WeakPolarHBondContact OH-CD1 3.48Å; T567-I571 WeakPolarHBondContact O-CB 3.39Å; T567-I571 WeakPolarHBondContact O-CG1 3.28Å; T567-I571 PolarHBondContact O-N 3.47Å; I571-L573 VanDerWaalsContact C-N 3.32Å; I571-L573 PolarHBondContact O-N 3.27Å; I571-V574 PolarHBondContact O-N 3.15Å; I571-V575 HydrophobicContact CG2-CG2 4.48Å; I571-V575 WeakPolarHBondContact O-CG2 3.36Å; I571-V575 PolarHBondContact O-N 2.96Å
572	N	82.4	Confident	81.9	Confident	7 Å²	7	45.9 Å²	45.9	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-41	175.7	-173.4	60.2	0	0	0	111.9	V537 A568 V569 I570 V575 I576 P621	V537-N572 HydrophobicContact CG1-CB 4.21Å; A568-N572 WeakPolarHBondContact O-CB 3.34Å; A568-N572 PolarHBondContact O-N 2.93Å; V569-N572 PolarHBondContact O-N 2.88Å; I570-N572 VanDerWaalsContact C-N 3.35Å; I570-N572 PolarHBondContact O-N 3.4Å; N572-V575 PolarHBondContact O-N 2.86Å; N572-I576 VanDerWaalsContact O-CG1 3.25Å; N572-I576 WeakPolarHBondContact O-CG1 3.32Å; N572-I576 PolarHBondContact O-N 2.87Å; N572-P621 WeakPolarHBondContact ND2-CB 3.21Å
573	L	82.7	Confident	82.5	Confident	9 Å²	9	41 Å²	41	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-44.8	174.9	179.1	61.2	0	0	0	112.2	V569 I570 I571 V575 I576 I577 I666 K671 I674	V569-L573 WeakPolarHBondContact O-CB 3.44Å; V569-L573 PolarHBondContact O-N 3.43Å; I570-L573 WeakPolarHBondContact O-CB 3.42Å; I570-L573 PolarHBondContact O-N 3.49Å; I571-L573 VanDerWaalsContact C-N 3.32Å; I571-L573 PolarHBondContact O-N 3.27Å; L573-V575 VanDerWaalsContact C-N 3.34Å; L573-V575 PolarHBondContact O-N 3.13Å; L573-I576 PolarHBondContact O-N 3.33Å; L573-I577 HydrophobicContact CD1-CD1 4.17Å; L573-I577 HydrophobicContact CD1-CG1 4.5Å; L573-I577 HydrophobicContact CG-CD1 4.1Å; L573-I577 VanDerWaalsContact O-CG1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.36Å; L573-I577 PolarHBondContact O-N 2.9Å; L573-I666 HydrophobicContact CD2-CG2 4.47Å; L573-K671 HydrophobicContact CD1-CB 4.17Å; L573-I674 HydrophobicContact CD2-CD1 4.11Å
574	V	83.8	Confident	83	Confident	79 Å²	79	38.8 Å²	38.8	48%	0.479	22%	0.22	S	C	.	.	H	α-helix	trans	-61.5	-42.3	175.7	172.6	0	0	0	0	111.3	I570 I571 I577 L578	I570-V574 WeakPolarHBondContact O-CG2 3.49Å; I570-V574 PolarHBondContact O-N 3.09Å; I571-V574 PolarHBondContact O-N 3.15Å; V574-I577 PolarHBondContact O-N 3.31Å; V574-L578 HydrophobicContact CG1-CD1 4.09Å; V574-L578 WeakPolarHBondContact O-CG 3.49Å; V574-L578 PolarHBondContact O-N 2.92Å
575	V	84.3	Confident	83.4	Confident	43 Å²	43	41.3 Å²	41.3	26%	0.261	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-43.2	177.3	172.7	0	0	0	0	111.6	I533 I571 N572 L573 I577 L578 L579	I533-V575 HydrophobicContact CG2-CG1 3.52Å; I571-V575 HydrophobicContact CG2-CG2 4.48Å; I571-V575 WeakPolarHBondContact O-CG2 3.36Å; I571-V575 PolarHBondContact O-N 2.96Å; N572-V575 PolarHBondContact O-N 2.86Å; L573-V575 VanDerWaalsContact C-N 3.34Å; L573-V575 PolarHBondContact O-N 3.13Å; V575-I577 VanDerWaalsContact C-N 3.33Å; V575-I577 PolarHBondContact O-N 2.87Å; V575-L578 PolarHBondContact O-N 2.67Å; V575-L579 VanDerWaalsContact O-CB 3.23Å; V575-L579 WeakPolarHBondContact O-CB 3.18Å; V575-L579 PolarHBondContact O-N 3.32Å
576	I	83.9	Confident	84	Confident	1 Å²	1	42 Å²	42	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-56.6	-47.9	174.9	-71.6	163.2	0	0	0	110.5	N572 L573 L579 D580 N617 P621 I667	N572-I576 VanDerWaalsContact O-CG1 3.25Å; N572-I576 WeakPolarHBondContact O-CG1 3.32Å; N572-I576 PolarHBondContact O-N 2.87Å; L573-I576 PolarHBondContact O-N 3.33Å; I576-L579 PolarHBondContact O-N 3.04Å; I576-D580 WeakPolarHBondContact O-CB 3.41Å; I576-D580 PolarHBondContact O-N 3.43Å; I576-N617 PolarHBondContact O-ND2 3.34Å; I576-N617 VanDerWaalsContact O-ND2 3.07Å; I576-P621 HydrophobicContact CD1-CG 4.32Å; I576-I667 HydrophobicContact CD1-CD1 4.34Å
577	I	83.3	Confident	84.4	Confident	27 Å²	27	40 Å²	40	14%	0.138	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-47.7	-179.7	-70.4	166.4	0	0	0	111.4	L573 V574 V575 L579 I674 F679	L573-I577 HydrophobicContact CD1-CD1 4.17Å; L573-I577 HydrophobicContact CD1-CG1 4.5Å; L573-I577 HydrophobicContact CG-CD1 4.1Å; L573-I577 VanDerWaalsContact O-CG1 3.31Å; L573-I577 WeakPolarHBondContact O-CG1 3.36Å; L573-I577 PolarHBondContact O-N 2.9Å; V574-I577 PolarHBondContact O-N 3.31Å; V575-I577 VanDerWaalsContact C-N 3.33Å; V575-I577 PolarHBondContact O-N 2.87Å; I577-L579 VanDerWaalsContact C-N 3.32Å; I577-L579 PolarHBondContact O-N 2.71Å; I577-I674 HydrophobicContact CD1-CG2 4.45Å; I577-F679 HydrophobicContact CG2-CE2 3.76Å; I577-F679 HydrophobicContact CG2-CZ 4.2Å
578	L	84.6	Confident	84.6	Confident	115 Å²	115	43.7 Å²	43.7	60%	0.602	23%	0.232	S	C	*	.	H	α-helix	trans	-63.2	-39.7	178.3	-70.9	171.4	0	0	0	112	V574 V575 V582	V574-L578 HydrophobicContact CG1-CD1 4.09Å; V574-L578 WeakPolarHBondContact O-CG 3.49Å; V574-L578 PolarHBondContact O-N 2.92Å; V575-L578 PolarHBondContact O-N 2.67Å; L578-V582 WeakPolarHBondContact O-CG2 3.27Å; L578-V582 PolarHBondContact O-N 3.25Å
579	L	83.9	Confident	85	Confident	20 Å²	20	51.2 Å²	51.2	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-76.1	-32.6	-175.8	-162.7	64.7	0	0	0	112.6	T530 I533 V575 I576 I577 E581 V582 Y583 N617	T530-L579 HydrophobicContact CG2-CD2 4.5Å; I533-L579 HydrophobicContact CD1-CD1 4.08Å; I533-L579 HydrophobicContact CD1-CD2 3.53Å; I533-L579 HydrophobicContact CD1-CG 4.46Å; V575-L579 VanDerWaalsContact O-CB 3.23Å; V575-L579 WeakPolarHBondContact O-CB 3.18Å; V575-L579 PolarHBondContact O-N 3.32Å; I576-L579 PolarHBondContact O-N 3.04Å; I577-L579 VanDerWaalsContact C-N 3.32Å; I577-L579 PolarHBondContact O-N 2.71Å; L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.06Å; L579-V582 PolarHBondContact O-N 3.21Å; L579-Y583 HydrophobicContact CD1-CD1 4.07Å; L579-Y583 HydrophobicContact CD1-CE1 3.41Å; L579-Y583 VanDerWaalsContact CD1-CE1 3.41Å; L579-Y583 HydrophobicContact CD2-CE1 4.08Å; L579-Y583 HydrophobicContact CD2-CE2 3.91Å; L579-Y583 WeakPolarHBondContact CD2-OH 3.44Å; L579-Y583 HydrophobicContact CG-CD1 4.01Å; L579-Y583 HydrophobicContact CG-CD2 4.29Å; L579-Y583 HydrophobicContact CG-CE1 3.49Å; L579-Y583 VanDerWaalsContact CG-CE1 3.49Å; L579-Y583 HydrophobicContact CG-CE2 3.86Å; L579-Y583 HydrophobicContact CG-CG 4.4Å; L579-Y583 VanDerWaalsContact CG-CZ 3.45Å; L579-Y583 WeakPolarHBondContact O-CB 3.31Å; L579-Y583 WeakPolarHBondContact O-CD1 3.27Å; L579-Y583 VanDerWaalsContact O-CG 3.25Å; L579-Y583 PolarHBondContact O-N 3.07Å; L579-N617 WeakPolarHBondContact CD2-OD1 3.38Å
580	D	84.3	Confident	85.3	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.032	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-37.1	175.6	-89.9	-3.8	0	0	0	112.5	I576 G584 K614 N617 K671	I576-D580 WeakPolarHBondContact O-CB 3.41Å; I576-D580 PolarHBondContact O-N 3.43Å; D580-G584 PolarHBondContact O-N 2.91Å; D580-K614 VanDerWaalsContact O-CE 3.31Å; D580-K614 WeakPolarHBondContact O-CE 3.32Å; D580-N617 PolarHBondContact OD1-ND2 3.42Å; D580-K671 IonicContact OD2-NZ 2.67Å; D580-K671 PolarHBondContact OD2-NZ 2.93Å
581	E	84.1	Confident	85.5	Confident	126 Å²	126	46.6 Å²	46.6	59%	0.589	24%	0.236	S	C	*	.	H	α-helix	trans	-73.6	-42.4	175.9	-79.1	-55.3	114.1	0	0	112.7	L579 Y583 G584 C585	L579-E581 VanDerWaalsContact C-N 3.28Å; L579-E581 PolarHBondContact O-N 3.06Å; E581-Y583 VanDerWaalsContact C-N 3.26Å; E581-Y583 PolarHBondContact O-N 3.48Å; E581-G584 PolarHBondContact O-N 2.79Å; E581-C585 PolarHBondContact O-N 3.47Å
582	V	87.2	Confident	85.6	Confident	74 Å²	74	48.8 Å²	48.8	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-42.7	173.1	173.9	0	0	0	0	110.1	L578 L579 C585 I586	L578-V582 WeakPolarHBondContact O-CG2 3.27Å; L578-V582 PolarHBondContact O-N 3.25Å; L579-V582 PolarHBondContact O-N 3.21Å; V582-C585 WeakPolarHBondContact O-CB 3.32Å; V582-C585 PolarHBondContact O-N 2.88Å; V582-I586 HydrophobicContact CG1-CD1 3.73Å; V582-I586 HydrophobicContact CG1-CG1 4.46Å; V582-I586 WeakPolarHBondContact O-CG1 3.38Å; V582-I586 PolarHBondContact O-N 3.46Å
583	Y	87.3	Confident	85.6	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-38	179.1	-72	4.8	0	0	0	112.2	M526 T530 L579 E581 C585 I586 A587 L613 N617	M526-Y583 HydrophobicContact CE-CD1 3.76Å; M526-Y583 HydrophobicContact CE-CE1 3.2Å; M526-Y583 PolarHBondContact O-OH 2.96Å; T530-Y583 HydrophobicContact CG2-CE2 3.65Å; T530-Y583 WeakPolarHBondContact CG2-OH 3.32Å; L579-Y583 HydrophobicContact CD1-CD1 4.07Å; L579-Y583 HydrophobicContact CD1-CE1 3.41Å; L579-Y583 VanDerWaalsContact CD1-CE1 3.41Å; L579-Y583 HydrophobicContact CD2-CE1 4.08Å; L579-Y583 HydrophobicContact CD2-CE2 3.91Å; L579-Y583 WeakPolarHBondContact CD2-OH 3.44Å; L579-Y583 HydrophobicContact CG-CD1 4.01Å; L579-Y583 HydrophobicContact CG-CD2 4.29Å; L579-Y583 HydrophobicContact CG-CE1 3.49Å; L579-Y583 VanDerWaalsContact CG-CE1 3.49Å; L579-Y583 HydrophobicContact CG-CE2 3.86Å; L579-Y583 HydrophobicContact CG-CG 4.4Å; L579-Y583 VanDerWaalsContact CG-CZ 3.45Å; L579-Y583 WeakPolarHBondContact O-CB 3.31Å; L579-Y583 WeakPolarHBondContact O-CD1 3.27Å; L579-Y583 VanDerWaalsContact O-CG 3.25Å; L579-Y583 PolarHBondContact O-N 3.07Å; E581-Y583 VanDerWaalsContact C-N 3.26Å; E581-Y583 PolarHBondContact O-N 3.48Å; Y583-C585 VanDerWaalsContact C-N 3.3Å; Y583-C585 PolarHBondContact O-N 2.74Å; Y583-I586 PolarHBondContact O-N 3.45Å; Y583-A587 VanDerWaalsContact O-CB 3.26Å; Y583-A587 WeakPolarHBondContact O-CB 3.31Å; Y583-A587 PolarHBondContact O-N 3.03Å; Y583-L613 HydrophobicContact CD2-CB 3.72Å; Y583-L613 HydrophobicContact CE2-CB 4.37Å; Y583-L613 HydrophobicContact CG-CB 4.15Å; Y583-N617 HydrophobicContact CD2-CB 4.25Å; Y583-N617 HydrophobicContact CE2-CB 4Å
584	G	85.9	Confident	85.6	Confident	15 Å²	15	50.5 Å²	50.5	16%	0.155	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-39.1	170	0	0	0	0	0	112.8	D580 E581 R588	D580-G584 PolarHBondContact O-N 2.91Å; E581-G584 PolarHBondContact O-N 2.79Å; G584-R588 WeakPolarHBondContact O-CG 3.46Å; G584-R588 PolarHBondContact O-N 3.36Å; G584-R588 PolarHBondContact O-NE 2.82Å
585	C	88.3	Confident	85.5	Confident	63 Å²	63	46.9 Å²	46.9	43%	0.426	23%	0.23	S	C	.	.	H	α-helix	trans	-68.7	-47.3	176.5	-160.6	0	0	0	0	112.6	E581 V582 Y583 R588 W589	E581-C585 PolarHBondContact O-N 3.47Å; V582-C585 WeakPolarHBondContact O-CB 3.32Å; V582-C585 PolarHBondContact O-N 2.88Å; Y583-C585 VanDerWaalsContact C-N 3.3Å; Y583-C585 PolarHBondContact O-N 2.74Å; C585-R588 PolarHBondContact O-N 3.48Å; C585-W589 PolarHBondContact O-N 3.47Å
586	I	87.9	Confident	85.4	Confident	41 Å²	41	44.9 Å²	44.9	21%	0.21	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-43.2	178.6	-67.8	169	0	0	0	110.8	M526 V582 Y583 R588 W589 L590	M526-I586 HydrophobicContact CE-CD1 3.5Å; M526-I586 HydrophobicContact CG-CG2 4.48Å; M526-I586 HydrophobicContact SD-CD1 3.93Å; V582-I586 HydrophobicContact CG1-CD1 3.73Å; V582-I586 HydrophobicContact CG1-CG1 4.46Å; V582-I586 WeakPolarHBondContact O-CG1 3.38Å; V582-I586 PolarHBondContact O-N 3.46Å; Y583-I586 PolarHBondContact O-N 3.45Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.38Å; I586-W589 PolarHBondContact O-N 2.91Å; I586-L590 WeakPolarHBondContact O-CB 3.17Å; I586-L590 PolarHBondContact O-N 3.42Å
587	A	88.3	Confident	85.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-60.4	-40.5	177.4	0	0	0	0	0	112.3	Y583 T591 L606 A610	Y583-A587 VanDerWaalsContact O-CB 3.26Å; Y583-A587 WeakPolarHBondContact O-CB 3.31Å; Y583-A587 PolarHBondContact O-N 3.03Å; A587-T591 WeakPolarHBondContact O-CB 3.42Å; A587-T591 PolarHBondContact O-N 2.98Å; A587-T591 PolarHBondContact O-OG1 3.44Å; A587-L606 HydrophobicContact CB-CD1 3.97Å; A587-L606 WeakPolarHBondContact O-CD1 3.47Å; A587-A610 HydrophobicContact CB-CB 3.96Å
588	R	87.9	Confident	84.9	Confident	126 Å²	126	49.6 Å²	49.6	48%	0.475	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-49.4	173.8	-77.3	-176	-80.5	103.2	-7.8	112.1	G584 C585 I586 L590 K592 L606	G584-R588 WeakPolarHBondContact O-CG 3.46Å; G584-R588 PolarHBondContact O-N 3.36Å; G584-R588 PolarHBondContact O-NE 2.82Å; C585-R588 PolarHBondContact O-N 3.48Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.38Å; R588-L590 PolarHBondContact O-N 3.1Å; R588-K592 WeakPolarHBondContact O-CB 3.4Å; R588-K592 PolarHBondContact O-N 3.07Å; R588-L606 HydrophobicContact CB-CD1 4.44Å; R588-L606 HydrophobicContact CG-CD1 3.88Å; R588-L606 HydrophobicContact CG-CD2 4.12Å
589	W	87.6	Confident	84.7	Confident	159 Å²	159	47.9 Å²	47.9	60%	0.602	23%	0.229	S	C	*	.	H	α-helix	trans	-59.8	-46.5	178	174.6	82.5	0	0	0	112	C585 I586 K592 I593	C585-W589 PolarHBondContact O-N 3.47Å; I586-W589 PolarHBondContact O-N 2.91Å; W589-K592 WeakPolarHBondContact O-CB 3.39Å; W589-K592 PolarHBondContact O-N 3.03Å; W589-I593 HydrophobicContact CD2-CD1 3.9Å; W589-I593 HydrophobicContact CE3-CD1 4.04Å; W589-I593 HydrophobicContact CH2-CD1 3.57Å; W589-I593 HydrophobicContact CZ2-CD1 3.4Å; W589-I593 HydrophobicContact CZ3-CD1 3.89Å; W589-I593 PolarHBondContact O-N 3.1Å
590	L	86.7	Confident	84.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-37.3	-176.4	-170.4	69.6	0	0	0	112.1	N519 I523 I586 R588 I593 E594	N519-L590 HydrophobicContact CB-CD1 4.25Å; N519-L590 HydrophobicContact CB-CD2 4.3Å; N519-L590 HydrophobicContact CB-CG 4.31Å; N519-L590 VanDerWaalsContact ND2-CG 3.3Å; N519-L590 WeakPolarHBondContact ND2-CG 3.35Å; I523-L590 HydrophobicContact CD1-CD2 4.48Å; I523-L590 HydrophobicContact CG1-CD2 4.1Å; I586-L590 WeakPolarHBondContact O-CB 3.17Å; I586-L590 PolarHBondContact O-N 3.42Å; R588-L590 PolarHBondContact O-N 3.1Å; L590-I593 PolarHBondContact O-N 2.95Å; L590-E594 PolarHBondContact O-N 3.13Å
591	T	87.4	Confident	84.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.2	-33.5	173.5	-49	0	0	0	0	111.7	A587 I593 E594 F602 R605 L606	A587-T591 WeakPolarHBondContact O-CB 3.42Å; A587-T591 PolarHBondContact O-N 2.98Å; A587-T591 PolarHBondContact O-OG1 3.44Å; T591-I593 VanDerWaalsContact C-N 3.28Å; T591-I593 PolarHBondContact O-N 3.24Å; T591-E594 PolarHBondContact O-N 3.17Å; T591-F602 HydrophobicContact CG2-CD2 3.67Å; T591-F602 HydrophobicContact CG2-CE2 3.72Å; T591-F602 HydrophobicContact CG2-CG 4.43Å; T591-R605 HydrophobicContact CG2-CB 4.13Å; T591-L606 HydrophobicContact CG2-CB 4.23Å
592	K	85.2	Confident	84.7	Confident	110 Å²	110	47.3 Å²	47.3	48%	0.478	23%	0.226	S	C	.	.	H	α-helix	trans	-65.7	-27.6	171.5	177.6	158.8	174.7	155.2	0	112.9	E457 R588 W589 V595	E457-K592 WeakPolarHBondContact OE1-CE 3.4Å; E457-K592 IonicContact OE1-NZ 3.63Å; E457-K592 PolarHBondContact OE1-NZ 2.72Å; R588-K592 WeakPolarHBondContact O-CB 3.4Å; R588-K592 PolarHBondContact O-N 3.07Å; W589-K592 WeakPolarHBondContact O-CB 3.39Å; W589-K592 PolarHBondContact O-N 3.03Å; K592-V595 VanDerWaalsContact O-CG2 3.31Å; K592-V595 WeakPolarHBondContact O-CG2 3.35Å
593	I	83.9	Confident	84.7	Confident	47 Å²	47	46.9 Å²	46.9	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-69.4	-40.5	172.5	-73.8	174.6	0	0	0	112.1	R461 A515 W589 L590 T591 V595	R461-I593 PolarHBondContact NH1-O 3.04Å; R461-I593 PolarHBondContact NH2-O 3.34Å; A515-I593 HydrophobicContact CB-CG2 3.99Å; W589-I593 HydrophobicContact CD2-CD1 3.9Å; W589-I593 HydrophobicContact CE3-CD1 4.04Å; W589-I593 HydrophobicContact CH2-CD1 3.57Å; W589-I593 HydrophobicContact CZ2-CD1 3.4Å; W589-I593 HydrophobicContact CZ3-CD1 3.89Å; W589-I593 PolarHBondContact O-N 3.1Å; L590-I593 PolarHBondContact O-N 2.95Å; T591-I593 VanDerWaalsContact C-N 3.28Å; T591-I593 PolarHBondContact O-N 3.24Å; I593-V595 PolarHBondContact O-N 3.31Å
594	E	81.2	Confident	84.7	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-30.4	-179	-69.2	-166.5	177.1	0	0	114	Y516 N519 L590 T591 R605 K609	Y516-E594 HydrophobicContact CD1-CG 4.43Å; Y516-E594 HydrophobicContact CE1-CG 4.34Å; N519-E594 PolarHBondContact ND2-OE1 3.14Å; L590-E594 PolarHBondContact O-N 3.13Å; T591-E594 PolarHBondContact O-N 3.17Å; E594-R605 WeakPolarHBondContact OE2-CD 3.47Å; E594-R605 IonicContact OE2-CZ 2.71Å; E594-R605 IonicContact OE2-NE 3.43Å; E594-R605 IonicContact OE2-NH1 3.99Å; E594-R605 PolarHBondContact OE2-NH1 3.36Å; E594-K609 WeakPolarHBondContact OE1-CE 3.42Å; E594-K609 IonicContact OE1-NZ 3.45Å; E594-K609 PolarHBondContact OE1-NZ 3.45Å
595	V	82.5	Confident	84.8	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.018	24%	0.241	C	C	.	.			trans	48	71.5	-173	171.2	0	0	0	0	112	Y458 R461 R512 K592 I593	Y458-V595 HydrophobicContact CD2-CG1 3.68Å; Y458-V595 HydrophobicContact CG-CG1 4.21Å; R461-V595 HydrophobicContact CB-CG1 4.46Å; R461-V595 VanDerWaalsContact NH2-CG2 3.31Å; R512-V595 PolarHBondContact NH2-O 3.03Å; K592-V595 VanDerWaalsContact O-CG2 3.31Å; K592-V595 WeakPolarHBondContact O-CG2 3.35Å; I593-V595 PolarHBondContact O-N 3.31Å
596	P	82.1	Confident	84.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.006	23%	0.227	C	C	.	.			trans	-61.1	158.3	166.6	27.7	-34.5	0	0	0	111	F602	P596-F602 HydrophobicContact CG-CB 3.67Å; P596-F602 HydrophobicContact CG-CD2 3.7Å; P596-F602 HydrophobicContact CG-CG 4.17Å
597	K	77.1	Confident	85.1	Confident	101 Å²	101	49.8 Å²	49.8	44%	0.439	22%	0.219	S	C	.	.	S	Bend	trans	-77.9	-43.2	-173.4	-173.6	-167.2	173.5	-122.8	0	112.6	P454 R455 Y458	P454-K597 WeakPolarHBondContact CA-O 3.32Å; R455-K597 PolarHBondContact N-O 3.5Å; Y458-K597 HydrophobicContact CD1-CG 4.28Å; Y458-K597 HydrophobicContact CD2-CB 4.26Å; Y458-K597 HydrophobicContact CE1-CG 4.03Å; Y458-K597 HydrophobicContact CE2-CB 4.15Å; Y458-K597 HydrophobicContact CE2-CG 4.34Å
598	T	79.9	Confident	85.1	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.153	24%	0.242	C	C	.	.	S	Bend	trans	-118.2	158.3	-172.1	51	0	0	0	0	110.7	D452 K600 S601 F602	D452-T598 HydrophobicContact CB-CG2 4.07Å; D452-T598 WeakPolarHBondContact OD2-CB 3.33Å; D452-T598 VanDerWaalsContact OD2-CG2 3.22Å; D452-T598 WeakPolarHBondContact OD2-CG2 3.46Å; T598-K600 VanDerWaalsContact C-N 3.35Å; T598-S601 PolarHBondContact O-N 2.88Å; T598-S601 WeakPolarHBondContact OG1-CB 3.09Å; T598-S601 PolarHBondContact OG1-N 3.06Å; T598-F602 PolarHBondContact O-N 2.73Å; T598-F602 VanDerWaalsContact O-N 3.09Å
599	E	79.5	Confident	85.2	Confident	80 Å²	80	50.2 Å²	50.2	37%	0.374	23%	0.225	S	C	.	.	H	α-helix	trans	-67.7	-36.6	177.5	-160.2	62.9	-148.7	0	0	111.2	R455 S601 F602 E603	R455-E599 WeakPolarHBondContact CD-OE2 3.45Å; R455-E599 WeakPolarHBondContact CG-OE2 3.36Å; R455-E599 IonicContact CZ-OE2 2.63Å; R455-E599 IonicContact NE-OE1 3.22Å; R455-E599 IonicContact NE-OE2 2.95Å; R455-E599 PolarHBondContact NE-OE2 3.3Å; E599-S601 PolarHBondContact O-N 3.38Å; E599-F602 CarbonylContact O-C 3.47Å; E599-F602 WeakPolarHBondContact O-CA 3.28Å; E599-F602 WeakPolarHBondContact O-CB 3.49Å; E599-F602 PolarHBondContact O-N 2.68Å; E599-F602 VanDerWaalsContact OE1-CD1 3.28Å; E599-F602 WeakPolarHBondContact OE1-CD1 3.44Å; E599-E603 PolarHBondContact O-N 3.2Å
600	K	81.9	Confident	85.3	Confident	94 Å²	94	43.1 Å²	43.1	41%	0.409	20%	0.2	S	C	.	.	H	α-helix	trans	-54	-48.2	171.8	-171	174.7	-170.1	171.7	0	112.2	E447 T598 F602 E603 E604	E447-K600 IonicContact OE1-NZ 3Å; E447-K600 PolarHBondContact OE1-NZ 3.32Å; E447-K600 IonicContact OE2-NZ 3.43Å; E447-K600 PolarHBondContact OE2-NZ 3.05Å; T598-K600 VanDerWaalsContact C-N 3.35Å; K600-F602 VanDerWaalsContact C-N 3.26Å; K600-F602 PolarHBondContact O-N 2.92Å; K600-E603 PolarHBondContact O-N 3.49Å; K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 3.39Å
601	S	84.4	Confident	85.5	Confident	23 Å²	23	44.1 Å²	44.1	16%	0.161	20%	0.204	C	C	.	.	H	α-helix	trans	-71.8	-16.1	175.5	176.1	0	0	0	0	113.5	T598 E599 R605	T598-S601 PolarHBondContact O-N 2.88Å; T598-S601 WeakPolarHBondContact OG1-CB 3.09Å; T598-S601 PolarHBondContact OG1-N 3.06Å; E599-S601 PolarHBondContact O-N 3.38Å; S601-R605 WeakPolarHBondContact O-CD 3.25Å; S601-R605 VanDerWaalsContact O-CG 3.24Å; S601-R605 WeakPolarHBondContact O-CG 3.21Å; S601-R605 PolarHBondContact OG-NE 2.58Å
602	F	86.4	Confident	85.6	Confident	22 Å²	22	46.5 Å²	46.5	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-79.7	-50.4	170.7	-179.5	-96.4	0	0	0	110.3	T591 P596 T598 E599 K600 R605 L606	T591-F602 HydrophobicContact CG2-CD2 3.67Å; T591-F602 HydrophobicContact CG2-CE2 3.72Å; T591-F602 HydrophobicContact CG2-CG 4.43Å; P596-F602 HydrophobicContact CG-CB 3.67Å; P596-F602 HydrophobicContact CG-CD2 3.7Å; P596-F602 HydrophobicContact CG-CG 4.17Å; T598-F602 PolarHBondContact O-N 2.73Å; T598-F602 VanDerWaalsContact O-N 3.09Å; E599-F602 CarbonylContact O-C 3.47Å; E599-F602 WeakPolarHBondContact O-CA 3.28Å; E599-F602 WeakPolarHBondContact O-CB 3.49Å; E599-F602 PolarHBondContact O-N 2.68Å; E599-F602 VanDerWaalsContact OE1-CD1 3.28Å; E599-F602 WeakPolarHBondContact OE1-CD1 3.44Å; K600-F602 VanDerWaalsContact C-N 3.26Å; K600-F602 PolarHBondContact O-N 2.92Å; F602-R605 PolarHBondContact O-N 3.17Å; F602-L606 HydrophobicContact CE1-CD2 3.98Å; F602-L606 HydrophobicContact CZ-CD2 4.37Å; F602-L606 VanDerWaalsContact O-CB 3.22Å; F602-L606 WeakPolarHBondContact O-CB 3.48Å; F602-L606 PolarHBondContact O-N 2.94Å
603	E	86.8	Confident	85.7	Confident	65 Å²	65	41.4 Å²	41.4	30%	0.304	20%	0.195	S	C	.	.	H	α-helix	trans	-54.6	-54.5	175.2	-73	-165.9	167.7	0	0	111	K327 E599 K600 R605 L606 I607	K327-E603 IonicContact NZ-OE1 2.65Å; K327-E603 PolarHBondContact NZ-OE1 3.33Å; K327-E603 VanDerWaalsContact NZ-OE1 3.09Å; K327-E603 IonicContact NZ-OE2 3.61Å; K327-E603 PolarHBondContact NZ-OE2 2.75Å; E599-E603 PolarHBondContact O-N 3.2Å; K600-E603 PolarHBondContact O-N 3.49Å; E603-R605 PolarHBondContact O-N 3Å; E603-L606 PolarHBondContact O-N 3.1Å; E603-I607 HydrophobicContact CB-CD1 4.41Å; E603-I607 WeakPolarHBondContact O-CB 3.48Å; E603-I607 WeakPolarHBondContact O-CD1 3.38Å; E603-I607 WeakPolarHBondContact O-CG1 3.38Å; E603-I607 PolarHBondContact O-N 2.8Å
604	E	88.3	Confident	85.9	Confident	81 Å²	81	41 Å²	41	38%	0.379	19%	0.191	S	C	.	.	H	α-helix	trans	-57	-44.5	-177.1	-73.4	172	176.2	0	0	113.3	K600 F608 I785	K600-E604 WeakPolarHBondContact O-CG 3.39Å; K600-E604 PolarHBondContact O-N 3.39Å; E604-F608 WeakPolarHBondContact O-CB 3.46Å; E604-F608 PolarHBondContact O-N 3.02Å; E604-I785 HydrophobicContact CG-CB 4.47Å
605	R	87.9	Confident	86.3	Confident	66 Å²	66	42.1 Å²	42.1	25%	0.249	20%	0.196	C	C	.	.	H	α-helix	trans	-73.5	-37.1	-179.6	-66.7	-175	-163.1	-164.9	-1.4	112.3	Y516 T591 E594 S601 F602 E603 K609	Y516-R605 PolarHBondContact OH-NH1 3.05Å; T591-R605 HydrophobicContact CG2-CB 4.13Å; E594-R605 WeakPolarHBondContact OE2-CD 3.47Å; E594-R605 IonicContact OE2-CZ 2.71Å; E594-R605 IonicContact OE2-NE 3.43Å; E594-R605 IonicContact OE2-NH1 3.99Å; E594-R605 PolarHBondContact OE2-NH1 3.36Å; S601-R605 WeakPolarHBondContact O-CD 3.25Å; S601-R605 VanDerWaalsContact O-CG 3.24Å; S601-R605 WeakPolarHBondContact O-CG 3.21Å; S601-R605 PolarHBondContact OG-NE 2.58Å; F602-R605 PolarHBondContact O-N 3.17Å; E603-R605 PolarHBondContact O-N 3Å; R605-K609 VanDerWaalsContact O-CG 3.24Å; R605-K609 WeakPolarHBondContact O-CG 3.28Å; R605-K609 PolarHBondContact O-N 3.31Å; R605-K609 VanDerWaalsContact O-N 3.14Å
606	L	90.3	Very high	86.6	Confident	24 Å²	24	43.2 Å²	43.2	13%	0.126	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-47.5	174.7	177.1	58.6	0	0	0	110.2	A587 R588 T591 F602 E603 K609 A610	A587-L606 HydrophobicContact CB-CD1 3.97Å; A587-L606 WeakPolarHBondContact O-CD1 3.47Å; R588-L606 HydrophobicContact CB-CD1 4.44Å; R588-L606 HydrophobicContact CG-CD1 3.88Å; R588-L606 HydrophobicContact CG-CD2 4.12Å; T591-L606 HydrophobicContact CG2-CB 4.23Å; F602-L606 HydrophobicContact CE1-CD2 3.98Å; F602-L606 HydrophobicContact CZ-CD2 4.37Å; F602-L606 VanDerWaalsContact O-CB 3.22Å; F602-L606 WeakPolarHBondContact O-CB 3.48Å; F602-L606 PolarHBondContact O-N 2.94Å; E603-L606 PolarHBondContact O-N 3.1Å; L606-K609 PolarHBondContact O-N 2.86Å; L606-A610 WeakPolarHBondContact O-CB 3.32Å; L606-A610 PolarHBondContact O-N 2.63Å
607	I	91.8	Very high	86.8	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.046	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-53	177.2	-69.7	162.7	0	0	0	110.2	E603 K609 A610 F611 T726 I785 W786 I789	E603-I607 HydrophobicContact CB-CD1 4.41Å; E603-I607 WeakPolarHBondContact O-CB 3.48Å; E603-I607 WeakPolarHBondContact O-CD1 3.38Å; E603-I607 WeakPolarHBondContact O-CG1 3.38Å; E603-I607 PolarHBondContact O-N 2.8Å; I607-K609 PolarHBondContact O-N 2.94Å; I607-A610 PolarHBondContact O-N 3.43Å; I607-F611 WeakPolarHBondContact O-CB 3.37Å; I607-F611 PolarHBondContact O-N 2.67Å; I607-T726 HydrophobicContact CD1-CG2 3.66Å; I607-T726 HydrophobicContact CG1-CG2 3.65Å; I607-I785 HydrophobicContact CB-CG2 4.02Å; I607-I785 HydrophobicContact CD1-CG2 3.82Å; I607-I785 HydrophobicContact CG2-CG2 3.59Å; I607-W786 HydrophobicContact CB-CZ2 4.37Å; I607-W786 HydrophobicContact CD1-CZ2 4.16Å; I607-W786 HydrophobicContact CG1-CZ2 3.93Å; I607-W786 HydrophobicContact CG2-CD2 4.05Å; I607-W786 HydrophobicContact CG2-CE3 3.97Å; I607-W786 HydrophobicContact CG2-CH2 3.53Å; I607-W786 HydrophobicContact CG2-CZ2 3.55Å; I607-W786 HydrophobicContact CG2-CZ3 3.73Å; I607-I789 HydrophobicContact CG2-CD1 3.94Å
608	F	89.4	Confident	87.3	Confident	113 Å²	113	38.8 Å²	38.8	50%	0.496	18%	0.184	S	C	.	.	H	α-helix	trans	-60.1	-43.4	-177.4	-176.3	-99.6	0	0	0	113	E604 L612	E604-F608 WeakPolarHBondContact O-CB 3.46Å; E604-F608 PolarHBondContact O-N 3.02Å; F608-L612 HydrophobicContact CE1-CD1 4.32Å; F608-L612 HydrophobicContact CZ-CD1 4.37Å; F608-L612 WeakPolarHBondContact O-CB 3.24Å; F608-L612 PolarHBondContact O-N 2.7Å
609	K	88.7	Confident	87.7	Confident	23 Å²	23	37.6 Å²	37.6	10%	0.1	18%	0.177	C	C	.	.	H	α-helix	trans	-70.4	-44.2	179.5	-65.2	172.9	-159.7	-69.1	0	112.1	N519 I523 E594 R605 L606 I607 F611 L612 L613	N519-K609 WeakPolarHBondContact ND2-CE 3.23Å; N519-K609 PolarHBondContact ND2-NZ 2.97Å; N519-K609 PolarHBondContact OD1-NZ 3.33Å; I523-K609 HydrophobicContact CD1-CD 4.39Å; I523-K609 HydrophobicContact CD1-CG 4Å; E594-K609 WeakPolarHBondContact OE1-CE 3.42Å; E594-K609 IonicContact OE1-NZ 3.45Å; E594-K609 PolarHBondContact OE1-NZ 3.45Å; R605-K609 VanDerWaalsContact O-CG 3.24Å; R605-K609 WeakPolarHBondContact O-CG 3.28Å; R605-K609 PolarHBondContact O-N 3.31Å; R605-K609 VanDerWaalsContact O-N 3.14Å; L606-K609 PolarHBondContact O-N 2.86Å; I607-K609 PolarHBondContact O-N 2.94Å; K609-F611 VanDerWaalsContact C-N 3.34Å; K609-L612 PolarHBondContact O-N 2.77Å; K609-L613 WeakPolarHBondContact O-CG 3.2Å; K609-L613 PolarHBondContact O-N 3.05Å; K609-L613 VanDerWaalsContact O-N 3.15Å
610	A	90.2	Very high	88.1	Confident	11 Å²	11	34.5 Å²	34.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-40.4	177.3	0	0	0	0	0	111.3	A587 L606 I607 K614 M730	A587-A610 HydrophobicContact CB-CB 3.96Å; L606-A610 WeakPolarHBondContact O-CB 3.32Å; L606-A610 PolarHBondContact O-N 2.63Å; I607-A610 PolarHBondContact O-N 3.43Å; A610-K614 WeakPolarHBondContact O-CB 3.5Å; A610-K614 WeakPolarHBondContact O-CG 3.48Å; A610-K614 PolarHBondContact O-N 3.49Å; A610-M730 HydrophobicContact CB-CE 3.7Å
611	F	91.4	Very high	88.3	Confident	23 Å²	23	30.4 Å²	30.4	10%	0.101	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-51.2	174.3	169.2	-103.1	0	0	0	111.3	I607 K609 L613 K614 F615 M730 I733 I734 I789 I793	I607-F611 WeakPolarHBondContact O-CB 3.37Å; I607-F611 PolarHBondContact O-N 2.67Å; K609-F611 VanDerWaalsContact C-N 3.34Å; F611-L613 VanDerWaalsContact C-N 3.34Å; F611-L613 PolarHBondContact O-N 3.07Å; F611-K614 PolarHBondContact O-N 3.1Å; F611-F615 HydrophobicContact CE1-CD2 4.36Å; F611-F615 HydrophobicContact CE2-CB 4.3Å; F611-F615 AromaticContact CE2-CD2 3.99Å; F611-F615 HydrophobicContact CE2-CD2 3.99Å; F611-F615 HydrophobicContact CZ-CB 4.19Å; F611-F615 AromaticContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CE2 4.34Å; F611-F615 HydrophobicContact CZ-CG 4.16Å; F611-F615 WeakPolarHBondContact O-CB 3.04Å; F611-F615 PolarHBondContact O-N 2.9Å; F611-M730 VanDerWaalsContact CA-SD 3.57Å; F611-M730 HydrophobicContact CB-CE 3.99Å; F611-M730 HydrophobicContact CB-SD 3.81Å; F611-M730 HydrophobicContact CD2-SD 4.05Å; F611-M730 HydrophobicContact CG-SD 4.45Å; F611-I733 HydrophobicContact CD2-CG2 4.17Å; F611-I733 HydrophobicContact CE2-CG2 3.89Å; F611-I734 HydrophobicContact CD2-CD1 4.49Å; F611-I734 HydrophobicContact CE2-CD1 4.26Å; F611-I789 HydrophobicContact CB-CD1 4.34Å; F611-I789 HydrophobicContact CD1-CD1 4.29Å; F611-I789 HydrophobicContact CD1-CG1 4.42Å; F611-I789 HydrophobicContact CD1-CG2 4.03Å; F611-I789 HydrophobicContact CD2-CG2 3.92Å; F611-I789 HydrophobicContact CE1-CG2 3.73Å; F611-I789 HydrophobicContact CE2-CG2 3.61Å; F611-I789 HydrophobicContact CG-CD1 4.18Å; F611-I789 HydrophobicContact CG-CG2 4.13Å; F611-I789 HydrophobicContact CZ-CG2 3.51Å; F611-I793 HydrophobicContact CE2-CD1 3.93Å; F611-I793 HydrophobicContact CZ-CD1 3.83Å; F611-I793 HydrophobicContact CZ-CG1 4.12Å
612	L	88.9	Confident	88.5	Confident	51 Å²	51	29.3 Å²	29.3	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-60.5	-43.1	-177.3	-166.5	154	0	0	0	111.9	I523 I527 F608 K609 V616	I523-L612 HydrophobicContact CG2-CD2 4.12Å; I527-L612 HydrophobicContact CD1-CD2 3.8Å; I527-L612 HydrophobicContact CG1-CD2 4.32Å; F608-L612 HydrophobicContact CE1-CD1 4.32Å; F608-L612 HydrophobicContact CZ-CD1 4.37Å; F608-L612 WeakPolarHBondContact O-CB 3.24Å; F608-L612 PolarHBondContact O-N 2.7Å; K609-L612 PolarHBondContact O-N 2.77Å; L612-V616 HydrophobicContact CD2-CG2 4.41Å; L612-V616 WeakPolarHBondContact O-CG2 3.39Å; L612-V616 PolarHBondContact O-N 2.98Å; L612-V616 VanDerWaalsContact O-N 3.1Å
613	L	87.3	Confident	88.7	Confident	3 Å²	3	30 Å²	30	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-45.5	177	-66.8	178.5	0	0	0	112.7	M526 Y583 K609 F611 V616 N617	M526-L613 HydrophobicContact CB-CD2 3.55Å; M526-L613 HydrophobicContact CG-CD2 4.24Å; Y583-L613 HydrophobicContact CD2-CB 3.72Å; Y583-L613 HydrophobicContact CE2-CB 4.37Å; Y583-L613 HydrophobicContact CG-CB 4.15Å; K609-L613 WeakPolarHBondContact O-CG 3.2Å; K609-L613 PolarHBondContact O-N 3.05Å; K609-L613 VanDerWaalsContact O-N 3.15Å; F611-L613 VanDerWaalsContact C-N 3.34Å; F611-L613 PolarHBondContact O-N 3.07Å; L613-V616 PolarHBondContact O-N 3.19Å; L613-N617 WeakPolarHBondContact O-CB 3.21Å; L613-N617 PolarHBondContact O-N 2.7Å
614	K	88.6	Confident	88.7	Confident	37 Å²	37	28.5 Å²	28.5	16%	0.161	13%	0.133	C	C	.	.	H	α-helix	trans	-68	-36.1	177.9	-71.9	-170.1	171.6	-158.5	0	112.4	D580 A610 F611 N617 S618 M730	D580-K614 VanDerWaalsContact O-CE 3.31Å; D580-K614 WeakPolarHBondContact O-CE 3.32Å; A610-K614 WeakPolarHBondContact O-CB 3.5Å; A610-K614 WeakPolarHBondContact O-CG 3.48Å; A610-K614 PolarHBondContact O-N 3.49Å; F611-K614 PolarHBondContact O-N 3.1Å; K614-N617 PolarHBondContact O-N 3.43Å; K614-S618 WeakPolarHBondContact O-CB 3.28Å; K614-S618 PolarHBondContact O-N 2.97Å; K614-M730 HydrophobicContact CD-CG 3.94Å
615	F	89.8	Confident	88.5	Confident	30 Å²	30	24.9 Å²	24.9	13%	0.132	12%	0.117	C	C	.	.	H	α-helix	trans	-58.7	-53.8	173.3	-178.1	-81.4	0	0	0	110.4	F611 N617 S618 Y619 F623 L741 L796	F611-F615 HydrophobicContact CE1-CD2 4.36Å; F611-F615 HydrophobicContact CE2-CB 4.3Å; F611-F615 AromaticContact CE2-CD2 3.99Å; F611-F615 HydrophobicContact CE2-CD2 3.99Å; F611-F615 HydrophobicContact CZ-CB 4.19Å; F611-F615 AromaticContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CD2 3.56Å; F611-F615 HydrophobicContact CZ-CE2 4.34Å; F611-F615 HydrophobicContact CZ-CG 4.16Å; F611-F615 WeakPolarHBondContact O-CB 3.04Å; F611-F615 PolarHBondContact O-N 2.9Å; F615-N617 PolarHBondContact O-N 2.78Å; F615-S618 PolarHBondContact O-N 2.69Å; F615-Y619 HydrophobicContact CB-CD2 4.32Å; F615-Y619 HydrophobicContact CB-CE2 4.47Å; F615-Y619 AromaticContact CD1-CD2 3.9Å; F615-Y619 HydrophobicContact CD1-CD2 3.9Å; F615-Y619 AromaticContact CD2-CD2 3.46Å; F615-Y619 HydrophobicContact CD2-CD2 3.46Å; F615-Y619 VanDerWaalsContact CD2-CD2 3.46Å; F615-Y619 AromaticContact CD2-CE2 3.29Å; F615-Y619 HydrophobicContact CD2-CE2 3.29Å; F615-Y619 AromaticContact CE1-CD2 3.96Å; F615-Y619 HydrophobicContact CE1-CD2 3.96Å; F615-Y619 AromaticContact CE2-CD2 3.52Å; F615-Y619 HydrophobicContact CE2-CD2 3.52Å; F615-Y619 AromaticContact CE2-CE2 3.45Å; F615-Y619 HydrophobicContact CE2-CE2 3.45Å; F615-Y619 VanDerWaalsContact CE2-CE2 3.45Å; F615-Y619 AromaticContact CG-CD2 3.63Å; F615-Y619 HydrophobicContact CG-CD2 3.63Å; F615-Y619 AromaticContact CG-CE2 3.89Å; F615-Y619 HydrophobicContact CG-CE2 3.89Å; F615-Y619 AromaticContact CZ-CD2 3.77Å; F615-Y619 HydrophobicContact CZ-CD2 3.77Å; F615-Y619 HydrophobicContact CZ-CE2 4.17Å; F615-Y619 WeakPolarHBondContact O-CB 3.42Å; F615-Y619 WeakPolarHBondContact O-CD2 3.49Å; F615-Y619 PolarHBondContact O-N 3.46Å; F615-F623 HydrophobicContact CE1-CE2 4.25Å; F615-L741 HydrophobicContact CE2-CD1 4.05Å; F615-L741 HydrophobicContact CZ-CD1 4.11Å; F615-L796 HydrophobicContact CZ-CD2 3.83Å
616	V	88.3	Confident	88.6	Confident	25 Å²	25	21.8 Å²	21.8	15%	0.152	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-43.2	-179.7	178.7	0	0	0	0	111.2	I527 T530 L612 L613 S618 T620	I527-V616 HydrophobicContact CG2-CG1 4.4Å; T530-V616 HydrophobicContact CG2-CG1 4.07Å; T530-V616 WeakPolarHBondContact OG1-CG1 3.4Å; L612-V616 HydrophobicContact CD2-CG2 4.41Å; L612-V616 WeakPolarHBondContact O-CG2 3.39Å; L612-V616 PolarHBondContact O-N 2.98Å; L612-V616 VanDerWaalsContact O-N 3.1Å; L613-V616 PolarHBondContact O-N 3.19Å; V616-S618 PolarHBondContact O-N 2.92Å; V616-T620 WeakPolarHBondContact CG1-OG1 3.26Å; V616-T620 WeakPolarHBondContact O-CB 3.28Å; V616-T620 PolarHBondContact O-N 2.92Å; V616-T620 PolarHBondContact O-OG1 3.31Å
617	N	86.7	Confident	88.5	Confident	8 Å²	8	22.5 Å²	22.5	4%	0.043	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-50.9	175.4	-174.2	29.4	0	0	0	112.1	T530 I576 L579 D580 Y583 L613 K614 F615 P621	T530-N617 HydrophobicContact CG2-CB 4.37Å; I576-N617 PolarHBondContact O-ND2 3.34Å; I576-N617 VanDerWaalsContact O-ND2 3.07Å; L579-N617 WeakPolarHBondContact CD2-OD1 3.38Å; D580-N617 PolarHBondContact OD1-ND2 3.42Å; Y583-N617 HydrophobicContact CD2-CB 4.25Å; Y583-N617 HydrophobicContact CE2-CB 4Å; L613-N617 WeakPolarHBondContact O-CB 3.21Å; L613-N617 PolarHBondContact O-N 2.7Å; K614-N617 PolarHBondContact O-N 3.43Å; F615-N617 PolarHBondContact O-N 2.78Å; N617-P621 WeakPolarHBondContact O-CD 3.25Å
618	S	86.2	Confident	88.2	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-73.7	-31.2	-171.9	-166.9	0	0	0	0	113.7	K614 F615 V616 F738	K614-S618 WeakPolarHBondContact O-CB 3.28Å; K614-S618 PolarHBondContact O-N 2.97Å; F615-S618 PolarHBondContact O-N 2.69Å; V616-S618 PolarHBondContact O-N 2.92Å; S618-F738 VanDerWaalsContact OG-CZ 3.28Å; S618-F738 WeakPolarHBondContact OG-CZ 3.34Å
619	Y	89.4	Confident	88	Confident	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-104.1	-24	-174.8	-61.3	-65.4	0	0	0	115.2	F615 I622 F623 I734 G737 F738 L741 F742	F615-Y619 HydrophobicContact CB-CD2 4.32Å; F615-Y619 HydrophobicContact CB-CE2 4.47Å; F615-Y619 AromaticContact CD1-CD2 3.9Å; F615-Y619 HydrophobicContact CD1-CD2 3.9Å; F615-Y619 AromaticContact CD2-CD2 3.46Å; F615-Y619 HydrophobicContact CD2-CD2 3.46Å; F615-Y619 VanDerWaalsContact CD2-CD2 3.46Å; F615-Y619 AromaticContact CD2-CE2 3.29Å; F615-Y619 HydrophobicContact CD2-CE2 3.29Å; F615-Y619 AromaticContact CE1-CD2 3.96Å; F615-Y619 HydrophobicContact CE1-CD2 3.96Å; F615-Y619 AromaticContact CE2-CD2 3.52Å; F615-Y619 HydrophobicContact CE2-CD2 3.52Å; F615-Y619 AromaticContact CE2-CE2 3.45Å; F615-Y619 HydrophobicContact CE2-CE2 3.45Å; F615-Y619 VanDerWaalsContact CE2-CE2 3.45Å; F615-Y619 AromaticContact CG-CD2 3.63Å; F615-Y619 HydrophobicContact CG-CD2 3.63Å; F615-Y619 AromaticContact CG-CE2 3.89Å; F615-Y619 HydrophobicContact CG-CE2 3.89Å; F615-Y619 AromaticContact CZ-CD2 3.77Å; F615-Y619 HydrophobicContact CZ-CD2 3.77Å; F615-Y619 HydrophobicContact CZ-CE2 4.17Å; F615-Y619 WeakPolarHBondContact O-CB 3.42Å; F615-Y619 WeakPolarHBondContact O-CD2 3.49Å; F615-Y619 PolarHBondContact O-N 3.46Å; Y619-I622 HydrophobicContact CD1-CD1 4.43Å; Y619-I622 WeakPolarHBondContact O-CA 3.45Å; Y619-I622 WeakPolarHBondContact O-CB 3.1Å; Y619-I622 PolarHBondContact O-N 3.28Å; Y619-F623 VanDerWaalsContact CB-CE2 3.47Å; Y619-F623 HydrophobicContact CG-CE2 4.41Å; Y619-F623 WeakPolarHBondContact O-CD2 3.19Å; Y619-F623 PolarHBondContact O-N 3.07Å; Y619-I734 HydrophobicContact CE2-CD1 4.02Å; Y619-I734 PolarHBondContact OH-O 3.31Å; Y619-G737 WeakPolarHBondContact OH-CA 3.27Å; Y619-F738 HydrophobicContact CD1-CD1 4.13Å; Y619-F738 AromaticContact CD1-CE1 3.9Å; Y619-F738 HydrophobicContact CD1-CE1 3.9Å; Y619-F738 AromaticContact CE1-CD1 3.45Å; Y619-F738 HydrophobicContact CE1-CD1 3.45Å; Y619-F738 VanDerWaalsContact CE1-CD1 3.45Å; Y619-F738 AromaticContact CE1-CE1 3.51Å; Y619-F738 HydrophobicContact CE1-CE1 3.51Å; Y619-F738 HydrophobicContact CE1-CG 4.21Å; Y619-F738 HydrophobicContact CE1-CZ 4.35Å; Y619-F738 PolarHBondContact OH-N 2.84Å; Y619-L741 HydrophobicContact CD1-CD1 4.28Å; Y619-L741 HydrophobicContact CE1-CD1 4Å; Y619-L741 HydrophobicContact CE2-CD1 4.32Å; Y619-F742 AromaticContact CD1-CE2 3.71Å; Y619-F742 HydrophobicContact CD1-CE2 3.71Å; Y619-F742 HydrophobicContact CE1-CE2 4.19Å
620	T	88.3	Confident	87.5	Confident	14 Å²	14	22 Å²	22	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-56	-41.8	-179.2	-63.8	0	0	0	0	113.8	F531 V534 V616 I622 F623 Y624	F531-T620 HydrophobicContact CD1-CG2 3.78Å; F531-T620 HydrophobicContact CE1-CG2 3.63Å; F531-T620 HydrophobicContact CZ-CG2 4.42Å; V534-T620 HydrophobicContact CB-CG2 4.35Å; V534-T620 HydrophobicContact CG1-CG2 4.45Å; V534-T620 HydrophobicContact CG2-CG2 3.9Å; V616-T620 WeakPolarHBondContact CG1-OG1 3.26Å; V616-T620 WeakPolarHBondContact O-CB 3.28Å; V616-T620 PolarHBondContact O-N 2.92Å; V616-T620 PolarHBondContact O-OG1 3.31Å; T620-I622 PolarHBondContact O-N 3.45Å; T620-F623 PolarHBondContact O-N 2.69Å; T620-Y624 WeakPolarHBondContact O-CB 3.15Å; T620-Y624 PolarHBondContact O-N 3.43Å
621	P	85.6	Confident	87.2	Confident	9 Å²	9	26 Å²	26	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-30.3	174.5	-22	32.5	0	0	0	113.5	V534 N572 I576 N617 V625 Q663	V534-P621 HydrophobicContact CG2-CG 3.87Å; N572-P621 WeakPolarHBondContact ND2-CB 3.21Å; I576-P621 HydrophobicContact CD1-CG 4.32Å; N617-P621 WeakPolarHBondContact O-CD 3.25Å; P621-V625 PolarHBondContact O-N 2.74Å; P621-Q663 PolarHBondContact O-NE2 2.95Å
622	I	88.3	Confident	86.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-80.6	-44.5	-178.7	-56.7	179.4	0	0	0	109.6	Y619 T620 Y624 V625 A626 L660 I667 F738 F742	Y619-I622 HydrophobicContact CD1-CD1 4.43Å; Y619-I622 WeakPolarHBondContact O-CA 3.45Å; Y619-I622 WeakPolarHBondContact O-CB 3.1Å; Y619-I622 PolarHBondContact O-N 3.28Å; T620-I622 PolarHBondContact O-N 3.45Å; I622-Y624 VanDerWaalsContact C-N 3.28Å; I622-Y624 PolarHBondContact O-N 2.79Å; I622-V625 PolarHBondContact O-N 2.92Å; I622-A626 WeakPolarHBondContact O-CB 3.48Å; I622-A626 PolarHBondContact O-N 2.89Å; I622-L660 HydrophobicContact CB-CD1 4.49Å; I622-L660 HydrophobicContact CG2-CD1 3.48Å; I622-L660 VanDerWaalsContact CG2-CD1 3.48Å; I622-L660 WeakPolarHBondContact O-CD1 3.27Å; I622-I667 HydrophobicContact CD1-CD1 4.06Å; I622-I667 HydrophobicContact CG1-CD1 4.06Å; I622-F738 HydrophobicContact CD1-CD1 4.14Å; I622-F738 HydrophobicContact CD1-CE1 3.6Å; I622-F742 HydrophobicContact CB-CE1 4.5Å; I622-F742 HydrophobicContact CB-CE2 4.45Å; I622-F742 HydrophobicContact CB-CZ 4.12Å; I622-F742 HydrophobicContact CG2-CD1 3.83Å; I622-F742 HydrophobicContact CG2-CD2 4.06Å; I622-F742 HydrophobicContact CG2-CE1 3.52Å; I622-F742 HydrophobicContact CG2-CE2 3.79Å; I622-F742 HydrophobicContact CG2-CG 4.09Å; I622-F742 HydrophobicContact CG2-CZ 3.48Å; I622-F742 VanDerWaalsContact CG2-CZ 3.48Å
623	F	90	Very high	86.4	Confident	37 Å²	37	29.3 Å²	29.3	16%	0.162	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-37.6	172.2	-71.5	-50.1	0	0	0	112.6	F615 Y619 T620 A626 F627 F742 I800	F615-F623 HydrophobicContact CE1-CE2 4.25Å; Y619-F623 VanDerWaalsContact CB-CE2 3.47Å; Y619-F623 HydrophobicContact CG-CE2 4.41Å; Y619-F623 WeakPolarHBondContact O-CD2 3.19Å; Y619-F623 PolarHBondContact O-N 3.07Å; T620-F623 PolarHBondContact O-N 2.69Å; F623-A626 PolarHBondContact O-N 3.29Å; F623-F627 HydrophobicContact CD1-CD2 4.09Å; F623-F627 AromaticContact CD1-CE2 3.71Å; F623-F627 HydrophobicContact CD1-CE2 3.71Å; F623-F627 HydrophobicContact CE1-CE2 4.25Å; F623-F627 PolarHBondContact O-N 3.17Å; F623-F742 AromaticContact CD1-CE1 3.97Å; F623-F742 HydrophobicContact CD1-CE1 3.97Å; F623-F742 AromaticContact CD1-CZ 3.63Å; F623-F742 HydrophobicContact CD1-CZ 3.63Å; F623-F742 HydrophobicContact CE1-CE1 4.02Å; F623-F742 HydrophobicContact CE1-CE2 4.4Å; F623-F742 AromaticContact CE1-CZ 3.46Å; F623-F742 HydrophobicContact CE1-CZ 3.46Å; F623-F742 VanDerWaalsContact CE1-CZ 3.46Å; F623-F742 HydrophobicContact CG-CZ 4.33Å; F623-F742 HydrophobicContact CZ-CZ 4.04Å; F623-I800 HydrophobicContact CE1-CD1 3.86Å; F623-I800 HydrophobicContact CE1-CG1 4.18Å; F623-I800 HydrophobicContact CE1-CG2 4.05Å; F623-I800 HydrophobicContact CZ-CD1 4.45Å
624	Y	87.2	Confident	86.3	Confident	32 Å²	32	30.5 Å²	30.5	13%	0.125	15%	0.152	C	C	.	.	I	π-helix	trans	-58.7	-53	174.5	176.4	-100.8	0	0	0	112	I538 T620 I622 A626 F628 K629	I538-Y624 HydrophobicContact CD1-CD1 3.91Å; I538-Y624 HydrophobicContact CD1-CD2 3.79Å; I538-Y624 HydrophobicContact CD1-CE1 3.58Å; I538-Y624 HydrophobicContact CD1-CE2 3.44Å; I538-Y624 VanDerWaalsContact CD1-CE2 3.44Å; I538-Y624 HydrophobicContact CD1-CG 4.02Å; I538-Y624 HydrophobicContact CG1-CD1 4.21Å; I538-Y624 HydrophobicContact CG1-CE1 3.69Å; I538-Y624 HydrophobicContact CG1-CE2 4.41Å; T620-Y624 WeakPolarHBondContact O-CB 3.15Å; T620-Y624 PolarHBondContact O-N 3.43Å; I622-Y624 VanDerWaalsContact C-N 3.28Å; I622-Y624 PolarHBondContact O-N 2.79Å; Y624-A626 VanDerWaalsContact C-N 3.35Å; Y624-A626 PolarHBondContact O-N 3.21Å; Y624-F628 HydrophobicContact CD2-CB 3.78Å; Y624-F628 HydrophobicContact CE2-CB 4.01Å; Y624-F628 PolarHBondContact O-N 3.46Å; Y624-K629 HydrophobicContact CE1-CB 4.16Å; Y624-K629 PolarHBondContact O-N 3.46Å
625	V	85.4	Confident	86.2	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.03	16%	0.156	C	C	.	.	I	π-helix	trans	-67.1	-34.6	-179.4	174.9	0	0	0	0	112.1	P621 I622 E659 L660	P621-V625 PolarHBondContact O-N 2.74Å; I622-V625 PolarHBondContact O-N 2.92Å; V625-E659 HydrophobicContact CG1-CB 4.15Å; V625-L660 HydrophobicContact CB-CD1 4.26Å; V625-L660 HydrophobicContact CG1-CB 4.15Å; V625-L660 HydrophobicContact CG1-CD1 4.25Å
626	A	88.1	Confident	86	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.008	15%	0.151	C	C	.	.	I	π-helix	trans	-69.1	-46.1	178.3	0	0	0	0	0	113.1	I622 F623 Y624 L660 T808	I622-A626 WeakPolarHBondContact O-CB 3.48Å; I622-A626 PolarHBondContact O-N 2.89Å; F623-A626 PolarHBondContact O-N 3.29Å; Y624-A626 VanDerWaalsContact C-N 3.35Å; Y624-A626 PolarHBondContact O-N 3.21Å; A626-L660 HydrophobicContact CB-CD1 3.96Å; A626-L660 HydrophobicContact CB-CD2 3.92Å; A626-T808 WeakPolarHBondContact O-CG2 2.94Å; A626-T808 PolarHBondContact O-OG1 3.25Å
627	F	88.4	Confident	85.7	Confident	39 Å²	39	29.8 Å²	29.8	17%	0.171	15%	0.147	C	C	.	.	I	π-helix	trans	-116.9	-30.5	-163.6	-58.5	-44.5	0	0	0	115.7	F623 R631 I800 F803 V804	F623-F627 HydrophobicContact CD1-CD2 4.09Å; F623-F627 AromaticContact CD1-CE2 3.71Å; F623-F627 HydrophobicContact CD1-CE2 3.71Å; F623-F627 HydrophobicContact CE1-CE2 4.25Å; F623-F627 PolarHBondContact O-N 3.17Å; F627-R631 WeakPolarHBondContact O-CG 3.45Å; F627-I800 HydrophobicContact CE2-CD1 4.32Å; F627-I800 HydrophobicContact CE2-CG2 4.35Å; F627-I800 HydrophobicContact CZ-CG2 4.05Å; F627-F803 HydrophobicContact CD1-CB 4.44Å; F627-F803 HydrophobicContact CE1-CB 3.59Å; F627-F803 HydrophobicContact CZ-CB 3.75Å; F627-V804 HydrophobicContact CE1-CG2 3.85Å; F627-V804 HydrophobicContact CZ-CG2 3.83Å
628	F	86.7	Confident	85.7	Confident	110 Å²	110	33.7 Å²	33.7	48%	0.482	17%	0.168	S	C	.	.	I	π-helix	trans	-104.5	-34.3	-171.3	-64.7	-89.6	0	0	0	113	Y624 R631 F632	Y624-F628 HydrophobicContact CD2-CB 3.78Å; Y624-F628 HydrophobicContact CE2-CB 4.01Å; Y624-F628 PolarHBondContact O-N 3.46Å; F628-R631 PolarHBondContact O-N 3.44Å; F628-F632 AromaticContact CD1-CE2 3.98Å; F628-F632 HydrophobicContact CD1-CE2 3.98Å
629	K	83.8	Confident	85.6	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.017	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.8	179.2	-173.6	170.9	173.1	162.1	0	111.6	Y624 R631 E649 E650 E659	Y624-K629 HydrophobicContact CE1-CB 4.16Å; Y624-K629 PolarHBondContact O-N 3.46Å; K629-R631 PolarHBondContact O-N 3.04Å; K629-E649 VanDerWaalsContact CE-OE2 3.25Å; K629-E649 WeakPolarHBondContact CE-OE2 3.22Å; K629-E649 IonicContact NZ-OE1 3.98Å; K629-E649 PolarHBondContact NZ-OE1 3.21Å; K629-E649 IonicContact NZ-OE2 2.72Å; K629-E649 PolarHBondContact NZ-OE2 2.76Å; K629-E650 WeakPolarHBondContact CE-O 3.32Å; K629-E659 IonicContact NZ-OE1 3.47Å; K629-E659 IonicContact NZ-OE2 2.77Å; K629-E659 PolarHBondContact NZ-OE2 2.88Å
630	G	78.9	Confident	85.3	Confident	22 Å²	22	37.8 Å²	37.8	23%	0.227	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	7	178.8	0	0	0	0	0	116.7	E649	G630-E649 WeakPolarHBondContact CA-O 3.33Å; G630-E649 PolarHBondContact N-O 2.92Å; G630-E649 VanDerWaalsContact N-O 3.08Å
631	R	83.4	Confident	85	Confident	94 Å²	94	40.4 Å²	40.4	36%	0.355	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-29.3	-179.2	-58.4	-50.1	178.4	74.2	22.2	115.2	F627 F628 K629 F807	F627-R631 WeakPolarHBondContact O-CG 3.45Å; F628-R631 PolarHBondContact O-N 3.44Å; K629-R631 PolarHBondContact O-N 3.04Å; R631-F807 PolarHBondContact NH2-O 2.86Å
632	F	83.8	Confident	84.4	Confident	121 Å²	121	42.6 Å²	42.6	53%	0.531	21%	0.211	S	C	.	.	S	Bend	trans	-112.8	37.2	-174.4	-56.8	-74.3	0	0	0	111.4	F628 V640 M648	F628-F632 AromaticContact CD1-CE2 3.98Å; F628-F632 HydrophobicContact CD1-CE2 3.98Å; F632-V640 WeakPolarHBondContact O-CB 3.44Å; F632-M648 HydrophobicContact CB-CE 4.2Å
633	V	80.3	Confident	83.5	Confident	22 Å²	22	50.7 Å²	50.7	13%	0.133	25%	0.246	C	C	.	.			trans	-86.1	-24	-174.3	-65.8	0	0	0	0	113.3	Y639 V640 M648 E650	V633-Y639 WeakPolarHBondContact O-CA 2.96Å; V633-V640 PolarHBondContact O-N 2.97Å; V633-M648 HydrophobicContact CG1-CB 4.02Å; V633-E650 HydrophobicContact CB-CG 4.14Å; V633-E650 HydrophobicContact CG1-CG 3.73Å; V633-E650 HydrophobicContact CG2-CG 4.32Å
634	G	84.6	Confident	82.5	Confident	29 Å²	29	60.1 Å²	60.1	30%	0.299	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	88.8	-142.3	-173.5	0	0	0	0	0	111.3
635	R	87.8	Confident	81.6	Confident	65 Å²	65	62.9 Å²	62.9	25%	0.245	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.5	176.9	62.3	175.6	-177.8	92.6	-1.2	110.7	G637 D638 Y639 Y864	R635-G637 PolarHBondContact O-N 3.33Å; R635-D638 HydrophobicContact CG-CB 4.17Å; R635-D638 PolarHBondContact N-O 3.45Å; R635-D638 CarbonylContact O-C 3.59Å; R635-D638 PolarHBondContact O-N 3.02Å; R635-Y639 WeakPolarHBondContact O-CD1 3.3Å; R635-Y864 HydrophobicContact CB-CE2 4.36Å
636	P	86	Confident	80.7	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.032	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	132.6	164.1	-25.3	36	0	0	0	111	C379 D638 F838 F843 Y864	C379-P636 HydrophobicContact CB-CG 4.46Å; P636-D638 VanDerWaalsContact C-N 3.32Å; P636-D638 PolarHBondContact O-N 3.4Å; P636-F838 HydrophobicContact CB-CB 4.4Å; P636-F838 HydrophobicContact CB-CD1 3.65Å; P636-F838 HydrophobicContact CB-CD2 3.74Å; P636-F838 HydrophobicContact CB-CE1 3.73Å; P636-F838 HydrophobicContact CB-CE2 3.82Å; P636-F838 HydrophobicContact CB-CG 3.65Å; P636-F838 HydrophobicContact CB-CZ 3.81Å; P636-F838 HydrophobicContact CG-CG 4.36Å; P636-F838 WeakPolarHBondContact O-CE2 3.41Å; P636-F843 HydrophobicContact CB-CE1 4.13Å; P636-Y864 HydrophobicContact CG-CD1 3.91Å; P636-Y864 HydrophobicContact CG-CD2 4.04Å; P636-Y864 HydrophobicContact CG-CE1 4.25Å; P636-Y864 HydrophobicContact CG-CE2 4.33Å; P636-Y864 HydrophobicContact CG-CG 3.81Å
637	G	81.3	Confident	80.2	Confident	7 Å²	7	67.5 Å²	67.5	7%	0.072	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.6	-172.7	0	0	0	0	0	115.8	R635 Q844	R635-G637 PolarHBondContact O-N 3.33Å; G637-Q844 VanDerWaalsContact O-CG 3.3Å; G637-Q844 WeakPolarHBondContact O-CG 3.44Å; G637-Q844 PolarHBondContact O-NE2 3.42Å
638	D	85.5	Confident	79.5	Confident	89 Å²	89	66.8 Å²	66.8	48%	0.476	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	85.2	168.9	-165.5	26.6	0	0	0	111.2	R635 P636 Q844	R635-D638 HydrophobicContact CG-CB 4.17Å; R635-D638 PolarHBondContact N-O 3.45Å; R635-D638 CarbonylContact O-C 3.59Å; R635-D638 PolarHBondContact O-N 3.02Å; P636-D638 VanDerWaalsContact C-N 3.32Å; P636-D638 PolarHBondContact O-N 3.4Å; D638-Q844 PolarHBondContact OD1-NE2 2.77Å
639	Y	84.6	Confident	78.8	Confident	14 Å²	14	63.5 Å²	63.5	6%	0.055	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	148.1	-178.5	-64.7	-65.1	0	0	0	112.2	V633 R635 Y641 R647	V633-Y639 WeakPolarHBondContact O-CA 2.96Å; R635-Y639 WeakPolarHBondContact O-CD1 3.3Å; Y639-Y641 WeakPolarHBondContact O-CD2 3.45Å; Y639-Y641 WeakPolarHBondContact O-CE2 3.35Å; Y639-Y641 PolarHBondContact O-N 2.76Å; Y639-R647 HydrophobicContact CG-CG 4.44Å; Y639-R647 VanDerWaalsContact CZ-NH2 3.34Å; Y639-R647 PolarHBondContact OH-NH2 2.61Å
640	V	84.1	Confident	78.5	Confident	74 Å²	74	65.7 Å²	65.7	45%	0.448	32%	0.317	S	S	.	.			trans	-81.8	113	175.1	-177.4	0	0	0	0	110.2	F632 V633 M648	F632-V640 WeakPolarHBondContact O-CB 3.44Å; V633-V640 PolarHBondContact O-N 2.97Å; V640-M648 HydrophobicContact CG1-CG 4.47Å; V640-M648 PolarHBondContact O-N 3.34Å
641	Y	80.9	Confident	78.4	Confident	69 Å²	69	66.4 Å²	66.4	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.6	179.1	-69.6	-83.1	0	0	0	112.6	D383 Y639 F646 R647 T847	D383-Y641 VanDerWaalsContact OD2-CE1 3.29Å; D383-Y641 WeakPolarHBondContact OD2-CE1 3.23Å; D383-Y641 PolarHBondContact OD2-OH 2.87Å; Y639-Y641 WeakPolarHBondContact O-CD2 3.45Å; Y639-Y641 WeakPolarHBondContact O-CE2 3.35Å; Y639-Y641 PolarHBondContact O-N 2.76Å; Y641-F646 CarbonylContact C-O 3.51Å; Y641-F646 WeakPolarHBondContact CA-O 3.47Å; Y641-R647 HydrophobicContact CD1-CB 4.27Å; Y641-R647 HydrophobicContact CE1-CB 3.91Å; Y641-T847 WeakPolarHBondContact OH-CG2 3.47Å
642	I	73.9	Confident	77.9	Confident	55 Å²	55	62.6 Å²	62.6	28%	0.282	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.1	167.1	-80.3	-171.8	0	0	0	109.7	R644 S645 F646 M648	I642-R644 PolarHBondContact O-N 3.18Å; I642-S645 PolarHBondContact O-N 2.86Å; I642-F646 PolarHBondContact N-O 3.17Å; I642-F646 PolarHBondContact O-N 3.24Å; I642-F646 VanDerWaalsContact O-N 3.11Å; I642-M648 HydrophobicContact CD1-CG 4.4Å; I642-M648 HydrophobicContact CD1-SD 3.3Å; I642-M648 WeakPolarHBondContact CD1-SD 3.37Å; I642-M648 HydrophobicContact CG1-CG 4.25Å; I642-M648 HydrophobicContact CG1-SD 3.78Å
643	F	69.6	Low	77	Confident	171 Å²	171	58.5 Å²	58.5	75%	0.75	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	27.4	-175.5	-62	-65.8	0	0	0	114.5	S645	F643-S645 PolarHBondContact O-N 3.13Å; F643-S645 VanDerWaalsContact O-N 3.14Å
644	R	69.2	Low	76.3	Confident	235 Å²	235	57.9 Å²	57.9	89%	0.887	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	7.2	-177.6	-56.3	-177.9	175.6	-176.8	-2.4	116.4	I642	I642-R644 PolarHBondContact O-N 3.18Å
645	S	67	Low	75.8	Confident	89 Å²	89	57.2 Å²	57.2	62%	0.622	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	-16.2	-174.8	-58.8	0	0	0	0	114.8	I642 F643	I642-S645 PolarHBondContact O-N 2.86Å; F643-S645 PolarHBondContact O-N 3.13Å; F643-S645 VanDerWaalsContact O-N 3.14Å
646	F	67.3	Low	75.6	Confident	79 Å²	79	54.4 Å²	54.4	35%	0.346	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.9	-174.3	-61.3	-71.4	0	0	0	111.2	I542 Y641 I642	I542-F646 HydrophobicContact CG2-CB 4.24Å; I542-F646 HydrophobicContact CG2-CD1 3.79Å; I542-F646 HydrophobicContact CG2-CG 4.37Å; Y641-F646 CarbonylContact C-O 3.51Å; Y641-F646 WeakPolarHBondContact CA-O 3.47Å; I642-F646 PolarHBondContact N-O 3.17Å; I642-F646 PolarHBondContact O-N 3.24Å; I642-F646 VanDerWaalsContact O-N 3.11Å
647	R	77	Confident	75.3	Confident	24 Å²	24	54.3 Å²	54.3	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	140.3	173.7	175.8	169.7	163.5	-169.2	-4.5	110.4	P380 D383 Y639 Y641 E650	P380-R647 PolarHBondContact O-NH1 3.47Å; P380-R647 PolarHBondContact O-NH2 3.25Å; D383-R647 WeakPolarHBondContact OD1-CD 3.35Å; D383-R647 IonicContact OD1-CZ 3.09Å; D383-R647 IonicContact OD1-NE 3.66Å; D383-R647 IonicContact OD1-NH1 2.68Å; D383-R647 PolarHBondContact OD1-NH1 3.28Å; Y639-R647 HydrophobicContact CG-CG 4.44Å; Y639-R647 VanDerWaalsContact CZ-NH2 3.34Å; Y639-R647 PolarHBondContact OH-NH2 2.61Å; Y641-R647 HydrophobicContact CD1-CB 4.27Å; Y641-R647 HydrophobicContact CE1-CB 3.91Å; R647-E650 IonicContact CZ-OE1 3.51Å; R647-E650 IonicContact NE-OE1 3.69Å; R647-E650 PolarHBondContact NE-OE1 2.82Å; R647-E650 IonicContact NH2-OE1 2.91Å; R647-E650 PolarHBondContact NH2-OE1 3.36Å; R647-E650 IonicContact NH2-OE2 3.01Å
648	M	74.4	Confident	75.3	Confident	24 Å²	24	55.7 Å²	55.7	12%	0.118	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-63	144.4	176.4	-83.1	-69.8	-84	0	0	112.9	F632 V633 V640 I642 E650	F632-M648 HydrophobicContact CB-CE 4.2Å; V633-M648 HydrophobicContact CG1-CB 4.02Å; V640-M648 HydrophobicContact CG1-CG 4.47Å; V640-M648 PolarHBondContact O-N 3.34Å; I642-M648 HydrophobicContact CD1-CG 4.4Å; I642-M648 HydrophobicContact CD1-SD 3.3Å; I642-M648 WeakPolarHBondContact CD1-SD 3.37Å; I642-M648 HydrophobicContact CG1-CG 4.25Å; I642-M648 HydrophobicContact CG1-SD 3.78Å; M648-E650 PolarHBondContact O-N 3.22Å
649	E	72.4	Confident	75	Confident	41 Å²	41	52.4 Å²	52.4	19%	0.192	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-73.7	124.6	-175.4	-159.6	-170.4	-170.5	0	0	112.1	R541 K629 G630	R541-E649 IonicContact NH1-OE1 3.6Å; K629-E649 VanDerWaalsContact CE-OE2 3.25Å; K629-E649 WeakPolarHBondContact CE-OE2 3.22Å; K629-E649 IonicContact NZ-OE1 3.98Å; K629-E649 PolarHBondContact NZ-OE1 3.21Å; K629-E649 IonicContact NZ-OE2 2.72Å; K629-E649 PolarHBondContact NZ-OE2 2.76Å; G630-E649 WeakPolarHBondContact CA-O 3.33Å; G630-E649 PolarHBondContact N-O 2.92Å; G630-E649 VanDerWaalsContact N-O 3.08Å
650	E	76.4	Confident	74.9	Confident	50 Å²	50	51.7 Å²	51.7	23%	0.234	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-83.2	158.8	173.2	-73.8	169.2	-158.7	0	0	112	L381 K629 V633 R647 M648	L381-E650 WeakPolarHBondContact CD2-OE2 3.5Å; K629-E650 WeakPolarHBondContact CE-O 3.32Å; V633-E650 HydrophobicContact CB-CG 4.14Å; V633-E650 HydrophobicContact CG1-CG 3.73Å; V633-E650 HydrophobicContact CG2-CG 4.32Å; R647-E650 IonicContact CZ-OE1 3.51Å; R647-E650 IonicContact NE-OE1 3.69Å; R647-E650 PolarHBondContact NE-OE1 2.82Å; R647-E650 IonicContact NH2-OE1 2.91Å; R647-E650 PolarHBondContact NH2-OE1 3.36Å; R647-E650 IonicContact NH2-OE2 3.01Å; M648-E650 PolarHBondContact O-N 3.22Å
651	C	77.9	Confident	74.9	Confident	37 Å²	37	48.4 Å²	48.4	25%	0.25	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71	155.3	171.8	-66.8	0	0	0	0	111.5	C656	C651-C656 VanDerWaalsContact CA-SG 3.52Å; C651-C656 HydrophobicContact CB-CB 4.06Å; C651-C656 WeakPolarHBondContact CB-SG 3.47Å; C651-C656 WeakPolarHBondContact SG-CB 3.34Å; C651-C656 CovalentContact SG-SG 2.04Å; C651-C656 PolarHBondContact SG-SG 2.92Å
652	A	71.5	Confident	75	Confident	15 Å²	15	49 Å²	49	12%	0.124	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-55.4	153.7	162.2	0	0	0	0	0	112.2	G654 G655 E659	A652-G654 PolarHBondContact O-N 2.75Å; A652-G654 VanDerWaalsContact O-N 3.16Å; A652-G655 WeakPolarHBondContact O-CA 3.41Å; A652-G655 PolarHBondContact O-N 3.38Å; A652-E659 WeakPolarHBondContact CB-OE1 3.28Å; A652-E659 PolarHBondContact N-OE1 3.34Å; A652-E659 VanDerWaalsContact N-OE1 3.16Å
653	P	66.3	Low	75.5	Confident	35 Å²	35	46.8 Å²	46.8	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-32.1	178.5	-32.6	39.1	0	0	0	115.8	W389 A394 G655	W389-P653 HydrophobicContact CE3-CG 4.36Å; W389-P653 HydrophobicContact CH2-CB 3.62Å; W389-P653 HydrophobicContact CH2-CG 3.43Å; W389-P653 VanDerWaalsContact CH2-CG 3.43Å; W389-P653 HydrophobicContact CZ2-CG 4.01Å; W389-P653 HydrophobicContact CZ3-CB 3.8Å; W389-P653 HydrophobicContact CZ3-CG 3.63Å; A394-P653 HydrophobicContact CB-CB 3.4Å; A394-P653 VanDerWaalsContact CB-CB 3.4Å; A394-P653 HydrophobicContact CB-CG 4.17Å; P653-G655 PolarHBondContact O-N 3.4Å
654	G	64	Low	76.2	Confident	8 Å²	8	38.7 Å²	38.7	8%	0.082	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	6	172.6	0	0	0	0	0	115.1	T397 S401 A652	T397-G654 PolarHBondContact OG1-N 3.35Å; S401-G654 VanDerWaalsContact CB-O 3.25Å; S401-G654 WeakPolarHBondContact CB-O 3.41Å; S401-G654 PolarHBondContact OG-O 3.14Å; A652-G654 PolarHBondContact O-N 2.75Å; A652-G654 VanDerWaalsContact O-N 3.16Å
655	G	75.7	Confident	76.9	Confident	15 Å²	15	28.5 Å²	28.5	16%	0.155	16%	0.162	C	C	.	.			trans	89.6	162.6	-175.1	0	0	0	0	0	114.1	A652 P653 L657	A652-G655 WeakPolarHBondContact O-CA 3.41Å; A652-G655 PolarHBondContact O-N 3.38Å; P653-G655 PolarHBondContact O-N 3.4Å; G655-L657 PolarHBondContact O-N 3.46Å
656	C	81.9	Confident	77.6	Confident	7 Å²	7	26.9 Å²	26.9	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-71.6	-14.3	177.4	-81.9	0	0	0	0	113.8	C651 M658 E659 L660	C651-C656 VanDerWaalsContact CA-SG 3.52Å; C651-C656 HydrophobicContact CB-CB 4.06Å; C651-C656 WeakPolarHBondContact CB-SG 3.47Å; C651-C656 WeakPolarHBondContact SG-CB 3.34Å; C651-C656 CovalentContact SG-SG 2.04Å; C651-C656 PolarHBondContact SG-SG 2.92Å; C656-M658 VanDerWaalsContact C-N 3.34Å; C656-M658 PolarHBondContact O-N 2.82Å; C656-E659 PolarHBondContact O-N 3.25Å; C656-L660 PolarHBondContact O-N 3.45Å
657	L	81	Confident	78.2	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-62	-39.2	-178.3	-166.8	151.3	0	0	0	111.9	F404 D405 G655 E659 L660 C661	F404-L657 HydrophobicContact CB-CD2 3.72Å; D405-L657 HydrophobicContact CB-CD1 4.41Å; G655-L657 PolarHBondContact O-N 3.46Å; L657-E659 PolarHBondContact O-N 2.89Å; L657-L660 WeakPolarHBondContact O-CB 3.47Å; L657-L660 PolarHBondContact O-N 2.75Å; L657-C661 PolarHBondContact O-N 3.3Å; L657-C661 PolarHBondContact O-SG 3.14Å
658	M	79.9	Confident	78.3	Confident	35 Å²	35	22.5 Å²	22.5	17%	0.172	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-41	175	-77.1	-57	-54.5	0	0	113	A400 F404 C656 L660 C661 I662	A400-M658 VanDerWaalsContact C-SD 3.59Å; A400-M658 HydrophobicContact CB-CE 3.95Å; A400-M658 HydrophobicContact CB-SD 4.12Å; A400-M658 VanDerWaalsContact O-SD 3.35Å; F404-M658 HydrophobicContact CD2-CE 4.3Å; F404-M658 HydrophobicContact CD2-SD 3.49Å; F404-M658 WeakPolarHBondContact CD2-SD 3.49Å; F404-M658 HydrophobicContact CE2-CE 3.98Å; F404-M658 HydrophobicContact CE2-SD 3.8Å; C656-M658 VanDerWaalsContact C-N 3.34Å; C656-M658 PolarHBondContact O-N 2.82Å; M658-L660 VanDerWaalsContact C-N 3.32Å; M658-C661 PolarHBondContact O-N 2.76Å; M658-I662 VanDerWaalsContact O-CG1 3.29Å; M658-I662 WeakPolarHBondContact O-CG1 3.45Å; M658-I662 PolarHBondContact O-N 2.99Å
659	E	79.3	Confident	78.4	Confident	20 Å²	20	25.3 Å²	25.3	9%	0.093	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-39.4	176	-64.4	-175.3	-142.7	0	0	111.3	R541 V625 K629 A652 C656 L657 I662 Q663	R541-E659 IonicContact NH1-OE2 3.82Å; V625-E659 HydrophobicContact CG1-CB 4.15Å; K629-E659 IonicContact NZ-OE1 3.47Å; K629-E659 IonicContact NZ-OE2 2.77Å; K629-E659 PolarHBondContact NZ-OE2 2.88Å; A652-E659 WeakPolarHBondContact CB-OE1 3.28Å; A652-E659 PolarHBondContact N-OE1 3.34Å; A652-E659 VanDerWaalsContact N-OE1 3.16Å; C656-E659 PolarHBondContact O-N 3.25Å; L657-E659 PolarHBondContact O-N 2.89Å; E659-I662 PolarHBondContact O-N 3.43Å; E659-Q663 VanDerWaalsContact O-CB 3.24Å; E659-Q663 WeakPolarHBondContact O-CB 3.27Å; E659-Q663 PolarHBondContact O-N 3.44Å
660	L	84	Confident	78.5	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-47.4	174.4	-171.5	68.6	0	0	0	111.5	I622 V625 A626 C656 L657 M658 Q663 L664	I622-L660 HydrophobicContact CB-CD1 4.49Å; I622-L660 HydrophobicContact CG2-CD1 3.48Å; I622-L660 VanDerWaalsContact CG2-CD1 3.48Å; I622-L660 WeakPolarHBondContact O-CD1 3.27Å; V625-L660 HydrophobicContact CB-CD1 4.26Å; V625-L660 HydrophobicContact CG1-CB 4.15Å; V625-L660 HydrophobicContact CG1-CD1 4.25Å; A626-L660 HydrophobicContact CB-CD1 3.96Å; A626-L660 HydrophobicContact CB-CD2 3.92Å; C656-L660 PolarHBondContact O-N 3.45Å; L657-L660 WeakPolarHBondContact O-CB 3.47Å; L657-L660 PolarHBondContact O-N 2.75Å; M658-L660 VanDerWaalsContact C-N 3.32Å; L660-Q663 PolarHBondContact O-N 2.92Å; L660-L664 VanDerWaalsContact O-CB 3.29Å; L660-L664 WeakPolarHBondContact O-CB 3.48Å; L660-L664 PolarHBondContact O-N 3.29Å
661	C	84.1	Confident	78.2	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.027	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-42.9	178.1	-67	0	0	0	0	112.7	L657 M658 S665 S745 F746	L657-C661 PolarHBondContact O-N 3.3Å; L657-C661 PolarHBondContact O-SG 3.14Å; M658-C661 PolarHBondContact O-N 2.76Å; C661-S665 VanDerWaalsContact O-CB 3.24Å; C661-S665 WeakPolarHBondContact O-CB 3.25Å; C661-S665 PolarHBondContact O-N 3.31Å; C661-S665 PolarHBondContact O-OG 3.47Å; C661-S745 PolarHBondContact SG-O 3.44Å; C661-F746 HydrophobicContact CB-CD2 4.3Å
662	I	82.8	Confident	77.7	Confident	81 Å²	81	21.8 Å²	21.8	42%	0.415	13%	0.126	S	C	.	.	H	α-helix	trans	-64.8	-46.3	176.6	-69	165.1	0	0	0	110.1	M658 E659 S665 I666	M658-I662 VanDerWaalsContact O-CG1 3.29Å; M658-I662 WeakPolarHBondContact O-CG1 3.45Å; M658-I662 PolarHBondContact O-N 2.99Å; E659-I662 PolarHBondContact O-N 3.43Å; I662-S665 PolarHBondContact O-N 3Å; I662-I666 HydrophobicContact CG2-CD1 3.66Å; I662-I666 HydrophobicContact CG2-CG1 4.45Å; I662-I666 WeakPolarHBondContact O-CB 3.29Å; I662-I666 VanDerWaalsContact O-CG1 3.31Å; I662-I666 WeakPolarHBondContact O-CG1 3.4Å; I662-I666 PolarHBondContact O-N 2.83Å
663	Q	83.1	Confident	77.5	Confident	10 Å²	10	26.7 Å²	26.7	5%	0.047	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-44.5	178.8	-179.7	172.5	-44.2	0	0	112	V569 P621 E659 L660 I666 I667	V569-Q663 HydrophobicContact CG2-CB 4.39Å; V569-Q663 HydrophobicContact CG2-CG 4.39Å; P621-Q663 PolarHBondContact O-NE2 2.95Å; E659-Q663 VanDerWaalsContact O-CB 3.24Å; E659-Q663 WeakPolarHBondContact O-CB 3.27Å; E659-Q663 PolarHBondContact O-N 3.44Å; L660-Q663 PolarHBondContact O-N 2.92Å; Q663-I666 PolarHBondContact O-N 3.36Å; Q663-I667 HydrophobicContact CG-CD1 3.72Å; Q663-I667 HydrophobicContact CG-CG1 4.44Å; Q663-I667 WeakPolarHBondContact O-CB 3.28Å; Q663-I667 VanDerWaalsContact O-CG1 3.25Å; Q663-I667 WeakPolarHBondContact O-CG1 3.2Å; Q663-I667 PolarHBondContact O-N 2.9Å
664	L	85.3	Confident	77.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-40.8	176.1	-176.4	145	0	0	0	111.3	L660 I667 M668 F742 F746	L660-L664 VanDerWaalsContact O-CB 3.29Å; L660-L664 WeakPolarHBondContact O-CB 3.48Å; L660-L664 PolarHBondContact O-N 3.29Å; L664-I667 PolarHBondContact O-N 3.01Å; L664-M668 HydrophobicContact CD2-CE 4.11Å; L664-M668 WeakPolarHBondContact O-CB 3.23Å; L664-M668 PolarHBondContact O-N 3.43Å; L664-F742 HydrophobicContact CD1-CB 3.53Å; L664-F742 HydrophobicContact CD1-CD2 4.13Å; L664-F742 HydrophobicContact CD1-CG 4.03Å; L664-F746 HydrophobicContact CD2-CB 4.41Å; L664-F746 HydrophobicContact CD2-CD1 3.66Å; L664-F746 HydrophobicContact CD2-CE1 4.39Å; L664-F746 HydrophobicContact CD2-CG 4.34Å
665	S	82.9	Confident	77.3	Confident	21 Å²	21	30.1 Å²	30.1	15%	0.147	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-45.2	175.7	-61.6	0	0	0	0	111.8	C661 I662 L669	C661-S665 VanDerWaalsContact O-CB 3.24Å; C661-S665 WeakPolarHBondContact O-CB 3.25Å; C661-S665 PolarHBondContact O-N 3.31Å; C661-S665 PolarHBondContact O-OG 3.47Å; I662-S665 PolarHBondContact O-N 3Å; S665-L669 WeakPolarHBondContact O-CB 3.36Å; S665-L669 VanDerWaalsContact O-CG 3.29Å; S665-L669 WeakPolarHBondContact O-CG 3.29Å; S665-L669 PolarHBondContact O-N 3.16Å
666	I	82.1	Confident	76.6	Confident	56 Å²	56	29.7 Å²	29.7	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-70.7	-36.6	179	-65.5	167.5	0	0	0	111.6	V569 L573 I662 Q663 G670	V569-I666 HydrophobicContact CG1-CB 3.82Å; V569-I666 HydrophobicContact CG1-CD1 4.01Å; V569-I666 HydrophobicContact CG1-CG2 3.59Å; L573-I666 HydrophobicContact CD2-CG2 4.47Å; I662-I666 HydrophobicContact CG2-CD1 3.66Å; I662-I666 HydrophobicContact CG2-CG1 4.45Å; I662-I666 WeakPolarHBondContact O-CB 3.29Å; I662-I666 VanDerWaalsContact O-CG1 3.31Å; I662-I666 WeakPolarHBondContact O-CG1 3.4Å; I662-I666 PolarHBondContact O-N 2.83Å; Q663-I666 PolarHBondContact O-N 3.36Å; I666-G670 WeakPolarHBondContact O-CA 3.47Å; I666-G670 PolarHBondContact O-N 3.44Å
667	I	80.8	Confident	75.6	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.3	-47.4	175.5	-69.5	170	0	0	0	110.2	I576 I622 Q663 L664 K671 F738	I576-I667 HydrophobicContact CD1-CD1 4.34Å; I622-I667 HydrophobicContact CD1-CD1 4.06Å; I622-I667 HydrophobicContact CG1-CD1 4.06Å; Q663-I667 HydrophobicContact CG-CD1 3.72Å; Q663-I667 HydrophobicContact CG-CG1 4.44Å; Q663-I667 WeakPolarHBondContact O-CB 3.28Å; Q663-I667 VanDerWaalsContact O-CG1 3.25Å; Q663-I667 WeakPolarHBondContact O-CG1 3.2Å; Q663-I667 PolarHBondContact O-N 2.9Å; L664-I667 PolarHBondContact O-N 3.01Å; I667-K671 WeakPolarHBondContact O-CB 3.36Å; I667-K671 PolarHBondContact O-N 3.42Å; I667-F738 HydrophobicContact CG2-CE1 4.14Å; I667-F738 HydrophobicContact CG2-CE2 4.32Å; I667-F738 HydrophobicContact CG2-CZ 3.59Å
668	M	79.1	Confident	74.7	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-69.2	-49	-177.9	-174.8	174.8	56	0	0	112.3	L664 Q672 F738 F746 F752	L664-M668 HydrophobicContact CD2-CE 4.11Å; L664-M668 WeakPolarHBondContact O-CB 3.23Å; L664-M668 PolarHBondContact O-N 3.43Å; M668-Q672 VanDerWaalsContact O-CB 3.24Å; M668-Q672 WeakPolarHBondContact O-CB 3.18Å; M668-Q672 PolarHBondContact O-N 3.44Å; M668-F738 HydrophobicContact SD-CB 4.39Å; M668-F746 HydrophobicContact CE-CE1 4.2Å; M668-F752 HydrophobicContact CE-CB 3.57Å; M668-F752 HydrophobicContact CE-CD2 3.71Å; M668-F752 HydrophobicContact CE-CG 4.15Å; M668-F752 HydrophobicContact SD-CB 4.47Å
669	L	76.9	Confident	74	Confident	83 Å²	83	40.7 Å²	40.7	44%	0.435	21%	0.211	S	C	.	.	H	α-helix	trans	-72.1	-40.6	177.1	-63.6	172.2	0	0	0	111.7	S665 L673 F752	S665-L669 WeakPolarHBondContact O-CB 3.36Å; S665-L669 VanDerWaalsContact O-CG 3.29Å; S665-L669 WeakPolarHBondContact O-CG 3.29Å; S665-L669 PolarHBondContact O-N 3.16Å; L669-L673 WeakPolarHBondContact O-CB 3.44Å; L669-L673 PolarHBondContact O-N 3.46Å; L669-F752 HydrophobicContact CD1-CD2 4.13Å; L669-F752 HydrophobicContact CD1-CE2 3.9Å; L669-F752 HydrophobicContact CD1-CZ 4.41Å; L669-F752 HydrophobicContact CD2-CB 4.13Å; L669-F752 HydrophobicContact CD2-CD1 4.47Å; L669-F752 HydrophobicContact CD2-CD2 3.96Å; L669-F752 HydrophobicContact CD2-CE2 4.47Å; L669-F752 HydrophobicContact CD2-CG 3.96Å; L669-F752 HydrophobicContact CG-CD2 4.11Å; L669-F752 HydrophobicContact CG-CE2 4.4Å
670	G	73.6	Confident	73.4	Confident	14 Å²	14	41.2 Å²	41.2	14%	0.144	21%	0.213	C	C	.	.	H	α-helix	trans	-73.6	-46.2	-175	0	0	0	0	0	113.1	I666 Q672 I674	I666-G670 WeakPolarHBondContact O-CA 3.47Å; I666-G670 PolarHBondContact O-N 3.44Å; G670-Q672 VanDerWaalsContact C-N 3.3Å; G670-Q672 PolarHBondContact O-N 2.96Å; G670-I674 VanDerWaalsContact O-CB 3.23Å; G670-I674 WeakPolarHBondContact O-CB 3.48Å; G670-I674 WeakPolarHBondContact O-CD1 3.33Å; G670-I674 WeakPolarHBondContact O-CG1 3.38Å; G670-I674 PolarHBondContact O-N 3.38Å
671	K	70.7	Confident	72.7	Confident	19 Å²	19	43.4 Å²	43.4	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-48.4	174	-178	167	175	166.5	0	109.7	L573 D580 I667 Q675	L573-K671 HydrophobicContact CD1-CB 4.17Å; D580-K671 IonicContact OD2-NZ 2.67Å; D580-K671 PolarHBondContact OD2-NZ 2.93Å; I667-K671 WeakPolarHBondContact O-CB 3.36Å; I667-K671 PolarHBondContact O-N 3.42Å; K671-Q675 WeakPolarHBondContact O-CB 3.43Å; K671-Q675 PolarHBondContact O-N 2.85Å
672	Q	66.3	Low	72	Confident	22 Å²	22	44.4 Å²	44.4	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-50.9	-178.5	-151.2	68.1	31.7	0	0	112.7	M668 G670 I674 Q675 N676 E731 N756 E760	M668-Q672 VanDerWaalsContact O-CB 3.24Å; M668-Q672 WeakPolarHBondContact O-CB 3.18Å; M668-Q672 PolarHBondContact O-N 3.44Å; G670-Q672 VanDerWaalsContact C-N 3.3Å; G670-Q672 PolarHBondContact O-N 2.96Å; Q672-I674 VanDerWaalsContact C-N 3.31Å; Q672-I674 PolarHBondContact O-N 2.85Å; Q672-Q675 PolarHBondContact O-N 2.94Å; Q672-N676 WeakPolarHBondContact O-CB 3.49Å; Q672-N676 PolarHBondContact O-N 3.43Å; Q672-E731 PolarHBondContact NE2-OE1 3.3Å; Q672-E731 PolarHBondContact OE1-OE1 3Å; Q672-N756 VanDerWaalsContact CD-CG 3.47Å; Q672-N756 HydrophobicContact CG-CB 4.22Å; Q672-N756 WeakPolarHBondContact CG-OD1 3.49Å; Q672-N756 PolarHBondContact NE2-ND2 3.41Å; Q672-N756 PolarHBondContact NE2-OD1 2.94Å; Q672-E760 PolarHBondContact NE2-OE2 2.93Å; Q672-E760 VanDerWaalsContact NE2-OE2 3.12Å
673	L	67.1	Low	71.5	Confident	117 Å²	117	43.5 Å²	43.5	61%	0.613	23%	0.231	S	C	*	.	H	α-helix	trans	-61.8	-39.1	-178.6	-171.9	76.9	0	0	0	112.1	L669 N677	L669-L673 WeakPolarHBondContact O-CB 3.44Å; L669-L673 PolarHBondContact O-N 3.46Å; L673-N677 WeakPolarHBondContact CD1-ND2 3.35Å; L673-N677 WeakPolarHBondContact O-CB 3.32Å; L673-N677 PolarHBondContact O-N 2.96Å; L673-N677 PolarHBondContact O-ND2 3.21Å
674	I	64.6	Low	71	Confident	64 Å²	64	44.6 Å²	44.6	33%	0.328	24%	0.239	S	C	.	.	H	α-helix	trans	-75.1	-49.4	179	-64.1	168.2	0	0	0	110.4	L573 I577 G670 Q672 L678	L573-I674 HydrophobicContact CD2-CD1 4.11Å; I577-I674 HydrophobicContact CD1-CG2 4.45Å; G670-I674 VanDerWaalsContact O-CB 3.23Å; G670-I674 WeakPolarHBondContact O-CB 3.48Å; G670-I674 WeakPolarHBondContact O-CD1 3.33Å; G670-I674 WeakPolarHBondContact O-CG1 3.38Å; G670-I674 PolarHBondContact O-N 3.38Å; Q672-I674 VanDerWaalsContact C-N 3.31Å; Q672-I674 PolarHBondContact O-N 2.85Å; I674-L678 HydrophobicContact CG2-CB 4.43Å; I674-L678 HydrophobicContact CG2-CD2 4.44Å; I674-L678 WeakPolarHBondContact O-CA 3.44Å; I674-L678 WeakPolarHBondContact O-CB 3.42Å; I674-L678 PolarHBondContact O-N 3.01Å
675	Q	61.4	Low	70.4	Confident	52 Å²	52	50.6 Å²	50.6	24%	0.243	27%	0.265	C	S	.	.	I	π-helix	trans	-68.1	-46.6	-174.3	-169.7	170.8	-33	0	0	111.4	K671 Q672 F679 E680 E731	K671-Q675 WeakPolarHBondContact O-CB 3.43Å; K671-Q675 PolarHBondContact O-N 2.85Å; Q672-Q675 PolarHBondContact O-N 2.94Å; Q675-F679 HydrophobicContact CB-CD2 4.38Å; Q675-F679 HydrophobicContact CG-CD2 4.21Å; Q675-F679 WeakPolarHBondContact O-CA 3.27Å; Q675-F679 WeakPolarHBondContact O-CB 3.21Å; Q675-F679 PolarHBondContact O-N 3.35Å; Q675-E680 PolarHBondContact O-N 3.24Å; Q675-E731 PolarHBondContact NE2-OE2 3.45Å
676	N	61.8	Low	70.1	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.032	28%	0.283	C	S	.	.	I	π-helix	trans	-67.5	-49.7	-178.8	-170.4	-36.2	0	0	0	111.5	Q672 E680 I681 E760 L763	Q672-N676 WeakPolarHBondContact O-CB 3.49Å; Q672-N676 PolarHBondContact O-N 3.43Å; N676-E680 WeakPolarHBondContact O-CB 3.41Å; N676-I681 PolarHBondContact O-N 2.94Å; N676-E760 PolarHBondContact ND2-OE2 3.19Å; N676-L763 WeakPolarHBondContact OD1-CD1 3.14Å
677	N	60.7	Low	69.8	Low	86 Å²	86	56.7 Å²	56.7	46%	0.46	29%	0.29	S	S	.	.	I	π-helix	trans	-77.7	-39.5	179.7	-64.8	-66.8	0	0	0	114.7	L673	L673-N677 WeakPolarHBondContact CD1-ND2 3.35Å; L673-N677 WeakPolarHBondContact O-CB 3.32Å; L673-N677 PolarHBondContact O-N 2.96Å; L673-N677 PolarHBondContact O-ND2 3.21Å
678	L	61.7	Low	69.5	Low	109 Å²	109	64.2 Å²	64.2	57%	0.571	32%	0.322	S	S	*	.	I	π-helix	trans	-93.3	-41	-170.2	-156	85.3	0	0	0	112.7	I674 G682	I674-L678 HydrophobicContact CG2-CB 4.43Å; I674-L678 HydrophobicContact CG2-CD2 4.44Å; I674-L678 WeakPolarHBondContact O-CA 3.44Å; I674-L678 WeakPolarHBondContact O-CB 3.42Å; I674-L678 PolarHBondContact O-N 3.01Å; L678-G682 WeakPolarHBondContact O-CA 3.38Å; L678-G682 PolarHBondContact O-N 3.03Å
679	F	66.4	Low	69.4	Low	81 Å²	81	68.5 Å²	68.5	36%	0.355	35%	0.345	S	S	.	.	I	π-helix	trans	-91	-44.4	-179.6	-62.8	-43	0	0	0	111.8	I577 Q675 I683	I577-F679 HydrophobicContact CG2-CE2 3.76Å; I577-F679 HydrophobicContact CG2-CZ 4.2Å; Q675-F679 HydrophobicContact CB-CD2 4.38Å; Q675-F679 HydrophobicContact CG-CD2 4.21Å; Q675-F679 WeakPolarHBondContact O-CA 3.27Å; Q675-F679 WeakPolarHBondContact O-CB 3.21Å; Q675-F679 PolarHBondContact O-N 3.35Å; F679-I683 HydrophobicContact CB-CD1 4.04Å; F679-I683 HydrophobicContact CD1-CD1 3.61Å; F679-I683 HydrophobicContact CD1-CG1 4.15Å; F679-I683 HydrophobicContact CE1-CD1 4.48Å; F679-I683 HydrophobicContact CG-CD1 4.18Å; F679-I683 WeakPolarHBondContact O-CB 3.41Å; F679-I683 PolarHBondContact O-N 2.69Å
680	E	66.4	Low	69.7	Low	30 Å²	30	68.3 Å²	68.3	14%	0.14	34%	0.344	C	S	.	.	I	π-helix	trans	-80	-46.1	-173.6	-157.7	169.1	-178.6	0	0	113.6	Q675 N676 P684 L763 K767	Q675-E680 PolarHBondContact O-N 3.24Å; N676-E680 WeakPolarHBondContact O-CB 3.41Å; E680-P684 WeakPolarHBondContact O-CD 3.38Å; E680-P684 WeakPolarHBondContact O-CG 3.29Å; E680-L763 HydrophobicContact CB-CD2 4.04Å; E680-L763 HydrophobicContact CG-CD2 3.6Å; E680-L763 WeakPolarHBondContact OE2-CD2 3.48Å; E680-K767 HydrophobicContact CG-CD 4.28Å; E680-K767 VanDerWaalsContact OE1-CD 3.27Å; E680-K767 WeakPolarHBondContact OE1-CD 3.27Å; E680-K767 WeakPolarHBondContact OE1-CE 3.26Å; E680-K767 IonicContact OE1-NZ 3.16Å; E680-K767 PolarHBondContact OE1-NZ 3.28Å
681	I	68.8	Low	69.7	Low	47 Å²	47	71.2 Å²	71.2	24%	0.241	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-38	170.3	-53.1	174.5	0	0	0	111.1	N676 K685 L763	N676-I681 PolarHBondContact O-N 2.94Å; I681-K685 HydrophobicContact CG2-CD 4.3Å; I681-K685 WeakPolarHBondContact O-CG 3.49Å; I681-L763 HydrophobicContact CD1-CD1 3.62Å; I681-L763 HydrophobicContact CG1-CD1 3.63Å
682	G	68.7	Low	70	Confident	25 Å²	25	77 Å²	77	26%	0.258	37%	0.373	S	S	.	.	H	α-helix	trans	-78.5	-45	-169.1	0	0	0	0	0	114.9	L678 M686	L678-G682 WeakPolarHBondContact O-CA 3.38Å; L678-G682 PolarHBondContact O-N 3.03Å; G682-M686 WeakPolarHBondContact O-CB 3.26Å; G682-M686 PolarHBondContact O-N 3.27Å
683	I	72.8	Confident	70.7	Confident	61 Å²	61	80.6 Å²	80.6	31%	0.313	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-47.6	-178	-69.9	174.7	0	0	0	112.3	F679 K685 M686 K687	F679-I683 HydrophobicContact CB-CD1 4.04Å; F679-I683 HydrophobicContact CD1-CD1 3.61Å; F679-I683 HydrophobicContact CD1-CG1 4.15Å; F679-I683 HydrophobicContact CE1-CD1 4.48Å; F679-I683 HydrophobicContact CG-CD1 4.18Å; F679-I683 WeakPolarHBondContact O-CB 3.41Å; F679-I683 PolarHBondContact O-N 2.69Å; I683-K685 PolarHBondContact O-N 3.47Å; I683-M686 HydrophobicContact CG1-CE 4.5Å; I683-M686 PolarHBondContact O-N 3.37Å; I683-K687 HydrophobicContact CG2-CD 3.86Å; I683-K687 HydrophobicContact CG2-CG 4.02Å; I683-K687 WeakPolarHBondContact O-CB 3.39Å; I683-K687 WeakPolarHBondContact O-CG 3.28Å; I683-K687 PolarHBondContact O-N 2.96Å
684	P	72	Confident	71.1	Confident	34 Å²	34	81.6 Å²	81.6	22%	0.221	39%	0.391	C	S	.	.	H	α-helix	trans	-60.5	-43.3	179.3	-26.1	37.1	0	0	0	112.3	E680 K687 K688 E771	E680-P684 WeakPolarHBondContact O-CD 3.38Å; E680-P684 WeakPolarHBondContact O-CG 3.29Å; P684-K687 PolarHBondContact O-N 2.97Å; P684-K688 VanDerWaalsContact O-CB 3.26Å; P684-K688 WeakPolarHBondContact O-CB 3.35Å; P684-K688 PolarHBondContact O-N 2.98Å; P684-E771 WeakPolarHBondContact CB-OE2 3.48Å; P684-E771 WeakPolarHBondContact CG-OE2 3.35Å
685	K	74.6	Confident	71.3	Confident	126 Å²	126	82.7 Å²	82.7	55%	0.548	40%	0.397	S	S	.	.	H	α-helix	trans	-64.9	-41.6	175.2	-73.3	-172	177	-178.2	0	112.7	I681 I683 K688 L689	I681-K685 HydrophobicContact CG2-CD 4.3Å; I681-K685 WeakPolarHBondContact O-CG 3.49Å; I683-K685 PolarHBondContact O-N 3.47Å; K685-K688 PolarHBondContact O-N 3.04Å; K685-L689 WeakPolarHBondContact O-CB 3.35Å; K685-L689 PolarHBondContact O-N 2.8Å
686	M	74.8	Confident	71.6	Confident	106 Å²	106	86.8 Å²	86.8	52%	0.522	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-43.2	176.3	-176.4	174	60.4	0	0	111.8	G682 I683 L689 I690	G682-M686 WeakPolarHBondContact O-CB 3.26Å; G682-M686 PolarHBondContact O-N 3.27Å; I683-M686 HydrophobicContact CG1-CE 4.5Å; I683-M686 PolarHBondContact O-N 3.37Å; M686-L689 PolarHBondContact O-N 3.3Å; M686-I690 HydrophobicContact CG-CD1 3.85Å; M686-I690 HydrophobicContact CG-CG1 4.48Å; M686-I690 WeakPolarHBondContact O-CB 3.43Å; M686-I690 VanDerWaalsContact O-CG1 3.25Å; M686-I690 WeakPolarHBondContact O-CG1 3.21Å; M686-I690 PolarHBondContact O-N 3.39Å
687	K	76.1	Confident	71.7	Confident	98 Å²	98	97.6 Å²	97.6	43%	0.426	46%	0.455	S	S	.	.	H	α-helix	trans	-58.6	-46.6	172	-77.6	176.8	172.9	179.5	0	111.5	I683 P684 L689 I690 R691 E720	I683-K687 HydrophobicContact CG2-CD 3.86Å; I683-K687 HydrophobicContact CG2-CG 4.02Å; I683-K687 WeakPolarHBondContact O-CB 3.39Å; I683-K687 WeakPolarHBondContact O-CG 3.28Å; I683-K687 PolarHBondContact O-N 2.96Å; P684-K687 PolarHBondContact O-N 2.97Å; K687-L689 VanDerWaalsContact C-N 3.34Å; K687-L689 PolarHBondContact O-N 3.05Å; K687-I690 PolarHBondContact O-N 3.5Å; K687-R691 WeakPolarHBondContact O-CB 3.3Å; K687-R691 PolarHBondContact O-N 3.15Å; K687-E720 WeakPolarHBondContact CD-OE2 3.39Å; K687-E720 IonicContact NZ-OE2 3.66Å; K687-E720 PolarHBondContact NZ-OE2 3.42Å
688	K	74.1	Confident	71.4	Confident	158 Å²	158	100.8 Å²	100.8	69%	0.687	47%	0.467	S	S	*	.	H	α-helix	trans	-59.7	-43.2	176.8	-174	175.3	-178.5	175.4	0	111.3	P684 K685 R691 Y692	P684-K688 VanDerWaalsContact O-CB 3.26Å; P684-K688 WeakPolarHBondContact O-CB 3.35Å; P684-K688 PolarHBondContact O-N 2.98Å; K685-K688 PolarHBondContact O-N 3.04Å; K688-R691 PolarHBondContact O-N 3.45Å; K688-Y692 WeakPolarHBondContact O-CB 3.44Å; K688-Y692 PolarHBondContact O-N 3.08Å
689	L	78.6	Confident	70.5	Confident	100 Å²	100	99 Å²	99	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-64.9	-45.6	175	-177.2	62.9	0	0	0	112.1	K685 M686 K687 R691 Y692 L693	K685-L689 WeakPolarHBondContact O-CB 3.35Å; K685-L689 PolarHBondContact O-N 2.8Å; M686-L689 PolarHBondContact O-N 3.3Å; K687-L689 VanDerWaalsContact C-N 3.34Å; K687-L689 PolarHBondContact O-N 3.05Å; L689-R691 PolarHBondContact O-N 3.14Å; L689-Y692 WeakPolarHBondContact O-CB 3.41Å; L689-Y692 PolarHBondContact O-N 3.05Å; L689-L693 HydrophobicContact CD1-CD1 4.43Å; L689-L693 HydrophobicContact CD1-CG 4.47Å; L689-L693 HydrophobicContact CG-CD1 4.17Å; L689-L693 WeakPolarHBondContact O-CB 3.48Å; L689-L693 VanDerWaalsContact O-CG 3.31Å; L689-L693 WeakPolarHBondContact O-CG 3.22Å; L689-L693 PolarHBondContact O-N 2.96Å
690	I	82.1	Confident	69.4	Low	80 Å²	80	99.7 Å²	99.7	41%	0.41	48%	0.476	S	S	.	.	H	α-helix	trans	-62.6	-41.7	176.3	-69.2	164.6	0	0	0	111	M686 K687 L693 K694	M686-I690 HydrophobicContact CG-CD1 3.85Å; M686-I690 HydrophobicContact CG-CG1 4.48Å; M686-I690 WeakPolarHBondContact O-CB 3.43Å; M686-I690 VanDerWaalsContact O-CG1 3.25Å; M686-I690 WeakPolarHBondContact O-CG1 3.21Å; M686-I690 PolarHBondContact O-N 3.39Å; K687-I690 PolarHBondContact O-N 3.5Å; I690-L693 PolarHBondContact O-N 2.81Å; I690-K694 HydrophobicContact CG2-CD 4.39Å; I690-K694 WeakPolarHBondContact O-CB 3.34Å; I690-K694 WeakPolarHBondContact O-CG 3.42Å; I690-K694 PolarHBondContact O-N 3.43Å
691	R	74.4	Confident	68.2	Low	74 Å²	74	104.2 Å²	104.2	28%	0.279	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-42.9	175.7	-173.7	174.1	177.1	170.8	-1.6	111	K687 K688 L689 K694 L695 Y717 N718	K687-R691 WeakPolarHBondContact O-CB 3.3Å; K687-R691 PolarHBondContact O-N 3.15Å; K688-R691 PolarHBondContact O-N 3.45Å; L689-R691 PolarHBondContact O-N 3.14Å; R691-K694 PolarHBondContact O-N 3.26Å; R691-L695 HydrophobicContact CG-CD1 4.1Å; R691-L695 WeakPolarHBondContact O-CB 3.33Å; R691-L695 VanDerWaalsContact O-CG 3.28Å; R691-L695 WeakPolarHBondContact O-CG 3.41Å; R691-L695 PolarHBondContact O-N 3.06Å; R691-Y717 PolarHBondContact NH1-O 3.04Å; R691-Y717 PolarHBondContact NH2-O 3.05Å; R691-Y717 VanDerWaalsContact NH2-O 3.15Å; R691-N718 VanDerWaalsContact CZ-OD1 3.28Å; R691-N718 PolarHBondContact NE-OD1 3.31Å; R691-N718 PolarHBondContact NH1-O 3.34Å; R691-N718 PolarHBondContact NH2-OD1 2.94Å
692	Y	75.8	Confident	66.9	Low	141 Å²	141	108.3 Å²	108.3	55%	0.553	53%	0.531	S	S	*	.	H	α-helix	trans	-61	-46.3	173.9	175.9	-102.6	0	0	0	112.3	K688 L689 L695 K696	K688-Y692 WeakPolarHBondContact O-CB 3.44Å; K688-Y692 PolarHBondContact O-N 3.08Å; L689-Y692 WeakPolarHBondContact O-CB 3.41Å; L689-Y692 PolarHBondContact O-N 3.05Å; Y692-L695 PolarHBondContact O-N 2.84Å; Y692-K696 WeakPolarHBondContact O-CB 2.96Å; Y692-K696 PolarHBondContact O-N 3.16Å
693	L	80.8	Confident	65.4	Low	97 Å²	97	114.6 Å²	114.6	51%	0.508	55%	0.553	S	S	.	*	H	α-helix	trans	-64.9	-38.6	177.1	-70.4	171.3	0	0	0	112.5	L689 I690 R697	L689-L693 HydrophobicContact CD1-CD1 4.43Å; L689-L693 HydrophobicContact CD1-CG 4.47Å; L689-L693 HydrophobicContact CG-CD1 4.17Å; L689-L693 WeakPolarHBondContact O-CB 3.48Å; L689-L693 VanDerWaalsContact O-CG 3.31Å; L689-L693 WeakPolarHBondContact O-CG 3.22Å; L689-L693 PolarHBondContact O-N 2.96Å; I690-L693 PolarHBondContact O-N 2.81Å; L693-R697 WeakPolarHBondContact O-CB 3.4Å; L693-R697 PolarHBondContact O-N 2.7Å; L693-R697 VanDerWaalsContact O-N 3.13Å
694	K	77.6	Confident	63.9	Low	138 Å²	138	121.7 Å²	121.7	60%	0.6	59%	0.585	S	S	*	*	H	α-helix	trans	-64.6	-45.4	173.3	-78.3	-176.1	177.4	-175.7	0	112	I690 R691 R697 Q698	I690-K694 HydrophobicContact CG2-CD 4.39Å; I690-K694 WeakPolarHBondContact O-CB 3.34Å; I690-K694 WeakPolarHBondContact O-CG 3.42Å; I690-K694 PolarHBondContact O-N 3.43Å; R691-K694 PolarHBondContact O-N 3.26Å; K694-R697 PolarHBondContact O-N 3.12Å; K694-Q698 WeakPolarHBondContact O-CG 3.39Å; K694-Q698 PolarHBondContact O-N 2.75Å
695	L	67.2	Low	62.3	Low	87 Å²	87	127.1 Å²	127.1	46%	0.455	61%	0.607	S	S	.	*	H	α-helix	trans	-60.6	-48.3	176.7	-75.5	164.8	0	0	0	111.3	R691 Y692 R697 Q698 S699	R691-L695 HydrophobicContact CG-CD1 4.1Å; R691-L695 WeakPolarHBondContact O-CB 3.33Å; R691-L695 VanDerWaalsContact O-CG 3.28Å; R691-L695 WeakPolarHBondContact O-CG 3.41Å; R691-L695 PolarHBondContact O-N 3.06Å; Y692-L695 PolarHBondContact O-N 2.84Å; L695-R697 PolarHBondContact O-N 2.77Å; L695-Q698 PolarHBondContact O-N 3.03Å; L695-S699 PolarHBondContact O-N 3.2Å; L695-S699 VanDerWaalsContact O-N 3.11Å; L695-S699 PolarHBondContact O-OG 2.84Å
696	K	69	Low	60.4	Low	139 Å²	139	125.7 Å²	125.7	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-61.5	-25.1	177.1	-172	174.2	-178.8	179.3	0	113.4	Y692 S699	Y692-K696 WeakPolarHBondContact O-CB 2.96Å; Y692-K696 PolarHBondContact O-N 3.16Å; K696-S699 PolarHBondContact O-OG 3.06Å
697	R	63.1	Low	58.7	Low	232 Å²	232	127.8 Å²	127.8	88%	0.875	63%	0.631	S	S	*	*	H	α-helix	trans	-85.9	-14.2	176	-168.5	171.7	-178.5	172.3	2	113.6	L693 K694 L695	L693-R697 WeakPolarHBondContact O-CB 3.4Å; L693-R697 PolarHBondContact O-N 2.7Å; L693-R697 VanDerWaalsContact O-N 3.13Å; K694-R697 PolarHBondContact O-N 3.12Å; L695-R697 PolarHBondContact O-N 2.77Å
698	Q	54.5	Low	57.2	Low	153 Å²	153	127.4 Å²	127.4	72%	0.715	63%	0.629	S	S	*	*	H	α-helix	trans	-103.8	-16.7	-179.4	-74	179.9	-28.4	0	0	113.5	K694 L695	K694-Q698 WeakPolarHBondContact O-CG 3.39Å; K694-Q698 PolarHBondContact O-N 2.75Å; L695-Q698 PolarHBondContact O-N 3.03Å
699	S	42.4	Very low	56.4	Low	71 Å²	71	128.7 Å²	128.7	50%	0.497	63%	0.63	S	S	.	*	S	Bend	trans	-72.3	122.6	169.2	47.4	0	0	0	0	111	L695 K696	L695-S699 PolarHBondContact O-N 3.2Å; L695-S699 VanDerWaalsContact O-N 3.11Å; L695-S699 PolarHBondContact O-OG 2.84Å; K696-S699 PolarHBondContact O-OG 3.06Å
700	P	43.2	Very low	55.8	Low	96 Å²	96	130.2 Å²	130.2	62%	0.623	63%	0.632	S	S	*	*			trans	-65.4	161.9	167.9	28.9	-33.7	0	0	0	111.1	D702	P700-D702 VanDerWaalsContact C-N 3.3Å; P700-D702 PolarHBondContact O-N 2.97Å
701	P	42.6	Very low	55.4	Low	125 Å²	125	130 Å²	130	81%	0.812	63%	0.629	S	S	*	*	S	Bend	trans	-69.3	-22.6	-171.6	-20.3	34	0	0	0	115
702	D	39.9	Very low	55.7	Low	133 Å²	133	127.6 Å²	127.6	71%	0.711	62%	0.62	S	S	*	*			trans	-102.7	96.2	-168.7	-57.1	-41.2	0	0	0	111.6	P700	P700-D702 VanDerWaalsContact C-N 3.3Å; P700-D702 PolarHBondContact O-N 2.97Å
703	H	37.6	Very low	56	Low	157 Å²	157	120.9 Å²	120.9	73%	0.727	59%	0.594	S	S	*	*			trans	-173.5	85.7	138.8	-101.1	52.8	0	0	0	108.7	E705	H703-E705 IonicContact CD2-OE2 2.71Å; H703-E705 PolarHBondContact CD2-OE2 3.2Å; H703-E705 IonicContact NE2-OE2 3.49Å; H703-E705 PolarHBondContact O-N 2.84Å
704	E	42.6	Very low	56.1	Low	211 Å²	211	116.5 Å²	116.5	99%	0.986	57%	0.571	S	S	*	*			trans	-71.5	80.4	154.3	-79.1	-168.3	129.6	0	0	108.4
705	E	37.2	Very low	56.3	Low	147 Å²	147	112.2 Å²	112.2	69%	0.687	56%	0.556	S	S	*	*			trans	-134.1	112.2	177.7	-153.8	176	-143.6	0	0	111.5	H703	H703-E705 IonicContact CD2-OE2 2.71Å; H703-E705 PolarHBondContact CD2-OE2 3.2Å; H703-E705 IonicContact NE2-OE2 3.49Å; H703-E705 PolarHBondContact O-N 2.84Å
706	C	34	Very low	57.3	Low	97 Å²	97	108 Å²	108	66%	0.655	53%	0.534	S	S	*	.			trans	40.5	120.8	168	-160.7	0	0	0	0	118.7	K708	C706-K708 PolarHBondContact O-N 2.98Å
707	V	39.5	Very low	58.1	Low	150 Å²	150	102.8 Å²	102.8	91%	0.909	51%	0.511	S	S	*	.			trans	-72.4	54.8	172.2	-166.2	0	0	0	0	112	R709	V707-R709 PolarHBondContact O-N 2.88Å
708	K	46	Very low	59.1	Low	89 Å²	89	94.1 Å²	94.1	39%	0.387	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-63.4	116.9	166.9	-79.4	-159.8	170.2	-161.9	0	109	D44 D46 K149 C706	D44-K708 IonicContact OD1-NZ 3.31Å; D44-K708 PolarHBondContact OD1-NZ 2.99Å; D44-K708 WeakPolarHBondContact OD2-CE 3.39Å; D44-K708 IonicContact OD2-NZ 2.75Å; D44-K708 PolarHBondContact OD2-NZ 3.1Å; D46-K708 IonicContact OD2-NZ 3.91Å; D46-K708 PolarHBondContact OD2-NZ 3.34Å; K149-K708 PolarHBondContact NZ-O 2.79Å; C706-K708 PolarHBondContact O-N 2.98Å
709	R	55.9	Low	60.6	Low	186 Å²	186	88.1 Å²	88.1	70%	0.702	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-55	136.7	-178.2	-150.6	172.6	-173.8	178.5	0.8	110.3	V707	V707-R709 PolarHBondContact O-N 2.88Å
710	K	65.6	Low	62.7	Low	132 Å²	132	87.5 Å²	87.5	57%	0.574	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-63.5	140.7	-178.5	-71.3	-178.3	176.6	178.5	0	111.7	V715	K710-V715 HydrophobicContact CB-CG2 4.01Å
711	Q	75	Confident	64.8	Low	76 Å²	76	86.9 Å²	86.9	36%	0.355	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-75.7	152.3	177.4	-80.6	160.1	-36	0	0	111.8	Y713 E714 V715	Q711-Y713 HydrophobicContact CB-CD1 4.37Å; Q711-Y713 HydrophobicContact CB-CE1 3.86Å; Q711-Y713 HydrophobicContact CB-CE2 4.13Å; Q711-Y713 HydrophobicContact CG-CE1 4.4Å; Q711-Y713 PolarHBondContact NE2-OH 3.48Å; Q711-Y713 PolarHBondContact O-N 3.47Å; Q711-Y713 PolarHBondContact OE1-OH 3.47Å; Q711-E714 HydrophobicContact CB-CG 4.41Å; Q711-E714 WeakPolarHBondContact O-CB 3.39Å; Q711-E714 PolarHBondContact O-N 2.94Å; Q711-V715 PolarHBondContact O-N 3.38Å; Q711-V715 VanDerWaalsContact O-N 3.1Å
712	R	79.9	Confident	66.9	Low	23 Å²	23	84.1 Å²	84.1	9%	0.087	42%	0.415	C	S	.	.	H	α-helix	trans	-60.2	-40.9	-170.1	-60	-59.7	-55.1	169.9	8.9	113.4	Y51 L53 G286 D287 E714 V715 D716	Y51-R712 WeakPolarHBondContact O-CG 3.04Å; L53-R712 HydrophobicContact CD2-CG 4.47Å; L53-R712 HydrophobicContact CG-CG 4.25Å; G286-R712 PolarHBondContact O-NH2 3.11Å; D287-R712 IonicContact OD2-CZ 2.81Å; D287-R712 IonicContact OD2-NH1 2.7Å; D287-R712 PolarHBondContact OD2-NH1 2.84Å; D287-R712 IonicContact OD2-NH2 3.83Å; R712-E714 VanDerWaalsContact C-N 3.31Å; R712-E714 PolarHBondContact O-N 3.46Å; R712-V715 WeakPolarHBondContact O-CB 3.02Å; R712-V715 PolarHBondContact O-N 3.4Å; R712-V715 VanDerWaalsContact O-N 3.16Å; R712-D716 PolarHBondContact O-N 3.31Å
713	Y	81.3	Confident	68.8	Low	0 Å²	0	82.1 Å²	82.1	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-65.8	-31	177	47.4	-94.3	0	0	0	113.3	I65 D145 T148 F155 K157 Y281 Q711 Y717	I65-Y713 HydrophobicContact CD1-CG 4.37Å; D145-Y713 PolarHBondContact OD2-OH 2.97Å; T148-Y713 HydrophobicContact CG2-CE2 4.4Å; F155-Y713 HydrophobicContact CB-CD2 4.39Å; F155-Y713 AromaticContact CD1-CD2 3.81Å; F155-Y713 HydrophobicContact CD1-CD2 3.81Å; F155-Y713 HydrophobicContact CD1-CG 4.5Å; F155-Y713 HydrophobicContact CD2-CD2 4.44Å; F155-Y713 HydrophobicContact CE1-CD2 4.14Å; F155-Y713 AromaticContact CG-CD2 3.97Å; F155-Y713 HydrophobicContact CG-CD2 3.97Å; F155-Y713 HydrophobicContact CG-CE2 4.35Å; K157-Y713 PolarHBondContact NZ-OH 3.01Å; Y281-Y713 PolarHBondContact OH-O 3.38Å; Y281-Y713 VanDerWaalsContact OH-O 3.07Å; Q711-Y713 HydrophobicContact CB-CD1 4.37Å; Q711-Y713 HydrophobicContact CB-CE1 3.86Å; Q711-Y713 HydrophobicContact CB-CE2 4.13Å; Q711-Y713 HydrophobicContact CG-CE1 4.4Å; Q711-Y713 PolarHBondContact NE2-OH 3.48Å; Q711-Y713 PolarHBondContact O-N 3.47Å; Q711-Y713 PolarHBondContact OE1-OH 3.47Å; Y713-Y717 VanDerWaalsContact O-CB 3.28Å; Y713-Y717 WeakPolarHBondContact O-CB 3.32Å; Y713-Y717 PolarHBondContact O-N 3.4Å
714	E	83.4	Confident	71.1	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.019	39%	0.39	C	S	.	.	H	α-helix	trans	-69.6	-39.6	171.3	-56.9	-172.9	138.1	0	0	111.4	K149 Q711 R712 Y717 N718	K149-E714 WeakPolarHBondContact CB-OE1 3.37Å; K149-E714 PolarHBondContact N-OE1 2.94Å; Q711-E714 HydrophobicContact CB-CG 4.41Å; Q711-E714 WeakPolarHBondContact O-CB 3.39Å; Q711-E714 PolarHBondContact O-N 2.94Å; R712-E714 VanDerWaalsContact C-N 3.31Å; R712-E714 PolarHBondContact O-N 3.46Å; E714-Y717 PolarHBondContact O-N 2.93Å; E714-N718 PolarHBondContact O-N 2.97Å; E714-N718 PolarHBondContact O-ND2 3.29Å
715	V	83.3	Confident	73.3	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	35%	0.345	S	S	.	.	H	α-helix	trans	-63.2	-50.9	176.2	176.1	0	0	0	0	110.1	K710 Q711 R712 Y717 N718	K710-V715 HydrophobicContact CB-CG2 4.01Å; Q711-V715 PolarHBondContact O-N 3.38Å; Q711-V715 VanDerWaalsContact O-N 3.1Å; R712-V715 WeakPolarHBondContact O-CB 3.02Å; R712-V715 PolarHBondContact O-N 3.4Å; R712-V715 VanDerWaalsContact O-N 3.16Å; V715-Y717 VanDerWaalsContact C-N 3.3Å; V715-Y717 PolarHBondContact O-N 2.92Å; V715-N718 WeakPolarHBondContact O-CB 3.42Å; V715-N718 PolarHBondContact O-N 3.27Å
716	D	86.2	Confident	75.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-31.7	178.7	-72.2	-3.1	0	0	0	111.5	Y281 L283 H284 R712 N718 L719 R773	Y281-D716 HydrophobicContact CE2-CB 3.91Å; L283-D716 HydrophobicContact CD2-CB 4.2Å; L283-D716 WeakPolarHBondContact CD2-OD2 3.37Å; H284-D716 IonicContact CD2-OD1 3.73Å; H284-D716 IonicContact CD2-OD2 2.68Å; H284-D716 PolarHBondContact CD2-OD2 3.11Å; H284-D716 IonicContact CG-OD2 2.65Å; H284-D716 PolarHBondContact N-OD2 2.96Å; R712-D716 PolarHBondContact O-N 3.31Å; D716-N718 PolarHBondContact O-N 2.82Å; D716-L719 WeakPolarHBondContact O-CB 3.25Å; D716-L719 PolarHBondContact O-N 2.91Å; D716-L719 VanDerWaalsContact O-N 3.14Å; D716-R773 VanDerWaalsContact O-CG 3.31Å; D716-R773 WeakPolarHBondContact O-CG 3.24Å; D716-R773 PolarHBondContact O-NE 3.49Å
717	Y	86.6	Confident	78.3	Confident	28 Å²	28	59.1 Å²	59.1	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-22.4	171.4	-169.2	-115.5	0	0	0	113.8	V67 I150 F155 A279 Y281 R691 Y713 E714 V715 R773	V67-Y717 HydrophobicContact CB-CE2 4.24Å; V67-Y717 HydrophobicContact CG1-CD2 4.23Å; V67-Y717 HydrophobicContact CG1-CE2 3.77Å; V67-Y717 HydrophobicContact CG2-CD2 4.05Å; V67-Y717 HydrophobicContact CG2-CE2 4.21Å; I150-Y717 HydrophobicContact CD1-CD1 3.79Å; I150-Y717 HydrophobicContact CD1-CE1 4.43Å; F155-Y717 HydrophobicContact CE1-CD2 4.49Å; F155-Y717 HydrophobicContact CE1-CG 4.2Å; F155-Y717 HydrophobicContact CZ-CD1 4.25Å; F155-Y717 HydrophobicContact CZ-CG 4.15Å; A279-Y717 HydrophobicContact CB-CE2 4.21Å; Y281-Y717 HydrophobicContact CE1-CD2 4.15Å; Y281-Y717 WeakPolarHBondContact OH-CB 3.34Å; Y281-Y717 PolarHBondContact OH-N 2.91Å; R691-Y717 PolarHBondContact NH1-O 3.04Å; R691-Y717 PolarHBondContact NH2-O 3.05Å; R691-Y717 VanDerWaalsContact NH2-O 3.15Å; Y713-Y717 VanDerWaalsContact O-CB 3.28Å; Y713-Y717 WeakPolarHBondContact O-CB 3.32Å; Y713-Y717 PolarHBondContact O-N 3.4Å; E714-Y717 PolarHBondContact O-N 2.93Å; V715-Y717 VanDerWaalsContact C-N 3.3Å; V715-Y717 PolarHBondContact O-N 2.92Å; Y717-R773 PolarHBondContact O-NH2 3.04Å
718	N	84.9	Confident	80.6	Confident	51 Å²	51	53.2 Å²	53.2	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-83.3	-13.9	176.5	-72.6	-61.9	0	0	0	113.6	R691 E714 V715 D716	R691-N718 VanDerWaalsContact CZ-OD1 3.28Å; R691-N718 PolarHBondContact NE-OD1 3.31Å; R691-N718 PolarHBondContact NH1-O 3.34Å; R691-N718 PolarHBondContact NH2-OD1 2.94Å; E714-N718 PolarHBondContact O-N 2.97Å; E714-N718 PolarHBondContact O-ND2 3.29Å; V715-N718 WeakPolarHBondContact O-CB 3.42Å; V715-N718 PolarHBondContact O-N 3.27Å; D716-N718 PolarHBondContact O-N 2.82Å
719	L	86.1	Confident	82.8	Confident	26 Å²	26	49.6 Å²	49.6	14%	0.136	26%	0.26	C	S	.	.	S	Bend	trans	-75.7	159.1	172.4	-57.9	175.5	0	0	0	111.7	D716 R773	D716-L719 WeakPolarHBondContact O-CB 3.25Å; D716-L719 PolarHBondContact O-N 2.91Å; D716-L719 VanDerWaalsContact O-N 3.14Å; L719-R773 HydrophobicContact CB-CG 3.73Å; L719-R773 PolarHBondContact O-NE 3.5Å; L719-R773 PolarHBondContact O-NH2 3.5Å
720	E	85.1	Confident	84.4	Confident	58 Å²	58	41.3 Å²	41.3	27%	0.271	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-76.8	145	178	-69.1	-77.3	114.5	0	0	111	K687 E771 L772 R773	K687-E720 WeakPolarHBondContact CD-OE2 3.39Å; K687-E720 IonicContact NZ-OE2 3.66Å; K687-E720 PolarHBondContact NZ-OE2 3.42Å; E720-E771 PolarHBondContact N-O 3.21Å; E720-L772 HydrophobicContact CB-CD2 4.4Å; E720-R773 WeakPolarHBondContact O-CG 3.31Å; E720-R773 PolarHBondContact O-N 3.27Å
721	P	87.2	Confident	85.4	Confident	83 Å²	83	36.2 Å²	36.2	54%	0.539	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-71.7	144.4	176.4	31	-34.8	0	0	0	111.7
722	F	87.4	Confident	86.1	Confident	68 Å²	68	32.6 Å²	32.6	30%	0.298	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-68.5	129.6	174.7	174.4	-117.4	0	0	0	111.9	I328 G724 L725 F768 L772 P775	I328-F722 HydrophobicContact CD1-CZ 4.5Å; F722-G724 WeakPolarHBondContact CE2-O 3.21Å; F722-G724 VanDerWaalsContact CZ-CA 3.41Å; F722-G724 WeakPolarHBondContact CZ-O 3.43Å; F722-L725 HydrophobicContact CE2-CD2 4.1Å; F722-L725 HydrophobicContact CZ-CD2 3.98Å; F722-L725 HydrophobicContact CZ-CG 4.02Å; F722-F768 AromaticContact CD2-CE1 3.93Å; F722-F768 HydrophobicContact CD2-CE1 3.93Å; F722-F768 HydrophobicContact CD2-CZ 4.44Å; F722-F768 AromaticContact CE2-CE1 3.54Å; F722-F768 HydrophobicContact CE2-CE1 3.54Å; F722-F768 AromaticContact CE2-CZ 3.78Å; F722-F768 HydrophobicContact CE2-CZ 3.78Å; F722-F768 HydrophobicContact CZ-CE1 4.35Å; F722-L772 HydrophobicContact CD2-CD1 4.2Å; F722-P775 HydrophobicContact CB-CB 4.23Å; F722-P775 HydrophobicContact CD1-CB 3.56Å; F722-P775 HydrophobicContact CE1-CB 3.97Å; F722-P775 HydrophobicContact CG-CB 3.91Å
723	A	80.3	Confident	86.7	Confident	90 Å²	90	31.5 Å²	31.5	74%	0.744	19%	0.186	S	C	*	.			trans	-100.7	6.6	-174	0	0	0	0	0	114.8
724	G	85.6	Confident	87.2	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	19%	0.188	C	C	.	.			trans	99.6	-179.1	-171.3	0	0	0	0	0	112.5	F722	F722-G724 WeakPolarHBondContact CE2-O 3.21Å; F722-G724 VanDerWaalsContact CZ-CA 3.41Å; F722-G724 WeakPolarHBondContact CZ-O 3.43Å
725	L	88.4	Confident	87.5	Confident	6 Å²	6	31.9 Å²	31.9	3%	0.031	19%	0.188	C	C	.	.	S	Bend	trans	-103.6	3.1	175.6	-63.1	176.6	0	0	0	112.9	K327 I328 F722 E728 Y729 F768	K327-L725 HydrophobicContact CG-CD1 4.1Å; K327-L725 WeakPolarHBondContact O-CD1 3.34Å; I328-L725 HydrophobicContact CG1-CD1 4.17Å; I328-L725 HydrophobicContact CG1-CD2 4.34Å; F722-L725 HydrophobicContact CE2-CD2 4.1Å; F722-L725 HydrophobicContact CZ-CD2 3.98Å; F722-L725 HydrophobicContact CZ-CG 4.02Å; L725-E728 VanDerWaalsContact C-OE2 3.3Å; L725-E728 WeakPolarHBondContact CA-OE2 3.47Å; L725-E728 PolarHBondContact O-N 3.43Å; L725-Y729 HydrophobicContact CB-CD2 3.89Å; L725-Y729 HydrophobicContact CB-CE2 4.02Å; L725-Y729 HydrophobicContact CD1-CE2 4.13Å; L725-Y729 WeakPolarHBondContact O-CD2 3.17Å; L725-Y729 PolarHBondContact O-N 2.89Å; L725-F768 HydrophobicContact CD2-CE1 4.38Å; L725-F768 HydrophobicContact CD2-CE2 4.4Å; L725-F768 HydrophobicContact CD2-CZ 3.59Å
726	T	88.8	Confident	88	Confident	38 Å²	38	29.6 Å²	29.6	23%	0.233	18%	0.175	C	C	.	.	H	α-helix	trans	-72.1	-32.3	-170.5	57.8	0	0	0	0	113.8	I607 M730	I607-T726 HydrophobicContact CD1-CG2 3.66Å; I607-T726 HydrophobicContact CG1-CG2 3.65Å; T726-M730 VanDerWaalsContact O-CB 3.25Å; T726-M730 WeakPolarHBondContact O-CB 3.21Å; T726-M730 PolarHBondContact O-N 2.94Å; T726-M730 VanDerWaalsContact O-N 3.15Å
727	P	86.8	Confident	88.4	Confident	68 Å²	68	29.6 Å²	29.6	44%	0.442	18%	0.175	S	C	.	.	H	α-helix	trans	-63.5	-46.7	167.6	-21.8	34.5	0	0	0	112.8	M730 E731	P727-M730 WeakPolarHBondContact O-CB 3.36Å; P727-M730 PolarHBondContact O-N 3.05Å; P727-M730 VanDerWaalsContact O-N 3.11Å; P727-E731 PolarHBondContact O-N 3.38Å; P727-E731 VanDerWaalsContact O-N 3.07Å
728	E	88.4	Confident	88.5	Confident	27 Å²	27	28.6 Å²	28.6	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-51.8	-176.9	-70.3	74	-168.4	0	0	111.5	Y331 L725 M730 E731 M732 K767	Y331-E728 HydrophobicContact CE2-CB 4.02Å; L725-E728 VanDerWaalsContact C-OE2 3.3Å; L725-E728 WeakPolarHBondContact CA-OE2 3.47Å; L725-E728 PolarHBondContact O-N 3.43Å; E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 2.79Å; E728-E731 PolarHBondContact O-N 3.05Å; E728-M732 PolarHBondContact O-N 3.26Å; E728-K767 IonicContact OE1-NZ 3.94Å; E728-K767 PolarHBondContact OE1-NZ 3.35Å
729	Y	91.8	Very high	88.9	Confident	12 Å²	12	26.2 Å²	26.2	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-40.9	172.8	-83.3	-72.5	0	0	0	111.8	Y331 W334 L725 E731 M732 I733 I783 W786	Y331-Y729 VanDerWaalsContact CA-OH 3.31Å; Y331-Y729 WeakPolarHBondContact CA-OH 3.04Å; Y331-Y729 HydrophobicContact CD2-CD1 4.04Å; Y331-Y729 HydrophobicContact CD2-CD2 4.05Å; Y331-Y729 AromaticContact CD2-CE1 3.77Å; Y331-Y729 HydrophobicContact CD2-CE1 3.77Å; Y331-Y729 AromaticContact CD2-CE2 3.78Å; Y331-Y729 HydrophobicContact CD2-CE2 3.78Å; Y331-Y729 HydrophobicContact CD2-CG 4.18Å; Y331-Y729 AromaticContact CD2-CZ 3.64Å; Y331-Y729 HydrophobicContact CE2-CD1 4.39Å; Y331-Y729 HydrophobicContact CE2-CG 4.44Å; Y331-Y729 HydrophobicContact CG-CE2 4.36Å; W334-Y729 HydrophobicContact CD2-CE1 4.19Å; W334-Y729 HydrophobicContact CE3-CD1 4.17Å; W334-Y729 AromaticContact CE3-CE1 3.96Å; W334-Y729 HydrophobicContact CE3-CE1 3.96Å; W334-Y729 HydrophobicContact CZ3-CD1 4.28Å; L725-Y729 HydrophobicContact CB-CD2 3.89Å; L725-Y729 HydrophobicContact CB-CE2 4.02Å; L725-Y729 HydrophobicContact CD1-CE2 4.13Å; L725-Y729 WeakPolarHBondContact O-CD2 3.17Å; L725-Y729 PolarHBondContact O-N 2.89Å; Y729-E731 VanDerWaalsContact C-N 3.27Å; Y729-E731 PolarHBondContact O-N 3.37Å; Y729-M732 PolarHBondContact O-N 3.47Å; Y729-I733 WeakPolarHBondContact O-CB 3.39Å; Y729-I733 WeakPolarHBondContact O-CG1 3.21Å; Y729-I733 PolarHBondContact O-N 3.33Å; Y729-I783 HydrophobicContact CE1-CB 4.35Å; Y729-I783 HydrophobicContact CE1-CG2 4.17Å; Y729-I783 WeakPolarHBondContact OH-CG2 3.39Å; Y729-W786 HydrophobicContact CD1-CG 4.28Å; Y729-W786 AromaticContact CD2-CD1 3.9Å; Y729-W786 AromaticContact CD2-NE1 3.61Å; Y729-W786 AromaticContact CG-CD1 3.75Å; Y729-W786 HydrophobicContact CG-CD2 4.35Å; Y729-W786 AromaticContact CG-CE2 3.96Å; Y729-W786 HydrophobicContact CG-CG 4.23Å; Y729-W786 AromaticContact CG-NE1 3.59Å
730	M	89.4	Confident	89.3	Confident	13 Å²	13	25.1 Å²	25.1	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-57.8	-40.9	-178.5	-168.8	72.3	74.9	0	0	112.1	A610 F611 K614 T726 P727 E728 I733 I734 W786	A610-M730 HydrophobicContact CB-CE 3.7Å; F611-M730 VanDerWaalsContact CA-SD 3.57Å; F611-M730 HydrophobicContact CB-CE 3.99Å; F611-M730 HydrophobicContact CB-SD 3.81Å; F611-M730 HydrophobicContact CD2-SD 4.05Å; F611-M730 HydrophobicContact CG-SD 4.45Å; K614-M730 HydrophobicContact CD-CG 3.94Å; T726-M730 VanDerWaalsContact O-CB 3.25Å; T726-M730 WeakPolarHBondContact O-CB 3.21Å; T726-M730 PolarHBondContact O-N 2.94Å; T726-M730 VanDerWaalsContact O-N 3.15Å; P727-M730 WeakPolarHBondContact O-CB 3.36Å; P727-M730 PolarHBondContact O-N 3.05Å; P727-M730 VanDerWaalsContact O-N 3.11Å; E728-M730 VanDerWaalsContact C-N 3.32Å; E728-M730 PolarHBondContact O-N 2.79Å; M730-I733 PolarHBondContact O-N 2.87Å; M730-I734 VanDerWaalsContact O-CG1 3.3Å; M730-I734 WeakPolarHBondContact O-CG1 3.3Å; M730-I734 PolarHBondContact O-N 2.88Å; M730-W786 HydrophobicContact CB-CH2 3.94Å; M730-W786 HydrophobicContact CE-CH2 3.72Å; M730-W786 HydrophobicContact CE-CZ3 4.34Å; M730-W786 HydrophobicContact SD-CH2 3.83Å; M730-W786 HydrophobicContact SD-CZ3 4Å
731	E	87.1	Confident	89.7	Confident	25 Å²	25	22.3 Å²	22.3	12%	0.117	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-51.6	179.5	-167.6	156.5	157.1	0	0	111.7	Q672 Q675 P727 E728 Y729 I733 I734 Q735	Q672-E731 PolarHBondContact NE2-OE1 3.3Å; Q672-E731 PolarHBondContact OE1-OE1 3Å; Q675-E731 PolarHBondContact NE2-OE2 3.45Å; P727-E731 PolarHBondContact O-N 3.38Å; P727-E731 VanDerWaalsContact O-N 3.07Å; E728-E731 PolarHBondContact O-N 3.05Å; Y729-E731 VanDerWaalsContact C-N 3.27Å; Y729-E731 PolarHBondContact O-N 3.37Å; E731-I733 VanDerWaalsContact C-N 3.27Å; E731-I733 PolarHBondContact O-N 3.43Å; E731-I734 PolarHBondContact O-N 3.47Å; E731-Q735 WeakPolarHBondContact O-CB 3.38Å; E731-Q735 PolarHBondContact O-N 3.38Å
732	M	90.4	Very high	89.8	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.2	-31	179.9	-58.5	-62.5	108.6	0	0	112.8	W334 L335 E728 Y729 Q735 F736 E760	W334-M732 HydrophobicContact CH2-CB 3.55Å; W334-M732 HydrophobicContact CZ3-CB 3.49Å; W334-M732 VanDerWaalsContact CZ3-CB 3.49Å; W334-M732 HydrophobicContact CZ3-CG 4.02Å; L335-M732 HydrophobicContact CD1-CG 4Å; L335-M732 HydrophobicContact CD1-SD 3.57Å; L335-M732 VanDerWaalsContact CD1-SD 3.57Å; E728-M732 PolarHBondContact O-N 3.26Å; Y729-M732 PolarHBondContact O-N 3.47Å; M732-Q735 PolarHBondContact O-N 2.87Å; M732-F736 WeakPolarHBondContact O-CB 3.42Å; M732-F736 PolarHBondContact O-N 2.9Å; M732-E760 HydrophobicContact CE-CG 3.62Å; M732-E760 VanDerWaalsContact CE-OE1 3.32Å; M732-E760 WeakPolarHBondContact CE-OE1 3.27Å; M732-E760 HydrophobicContact SD-CG 4.15Å
733	I	93	Very high	90	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-72.9	-39.1	176.9	-64.9	-82.5	0	0	0	111.4	W334 F611 Y729 M730 E731 F736 G737 W786 I789 L790 I793	W334-I733 HydrophobicContact CZ2-CD1 4.41Å; F611-I733 HydrophobicContact CD2-CG2 4.17Å; F611-I733 HydrophobicContact CE2-CG2 3.89Å; Y729-I733 WeakPolarHBondContact O-CB 3.39Å; Y729-I733 WeakPolarHBondContact O-CG1 3.21Å; Y729-I733 PolarHBondContact O-N 3.33Å; M730-I733 PolarHBondContact O-N 2.87Å; E731-I733 VanDerWaalsContact C-N 3.27Å; E731-I733 PolarHBondContact O-N 3.43Å; I733-F736 PolarHBondContact O-N 3.38Å; I733-G737 PolarHBondContact O-N 2.82Å; I733-G737 VanDerWaalsContact O-N 3.14Å; I733-W786 HydrophobicContact CB-CE3 4.45Å; I733-W786 HydrophobicContact CB-CZ3 4.34Å; I733-W786 HydrophobicContact CD1-CB 4.35Å; I733-W786 HydrophobicContact CD1-CE3 4.03Å; I733-W786 HydrophobicContact CG1-CD2 4.41Å; I733-W786 HydrophobicContact CG1-CE3 3.67Å; I733-W786 HydrophobicContact CG1-CZ3 3.96Å; I733-W786 HydrophobicContact CG2-CE3 4.49Å; I733-W786 HydrophobicContact CG2-CZ3 4.43Å; I733-I789 HydrophobicContact CG2-CG2 3.75Å; I733-L790 HydrophobicContact CD1-CD1 3.96Å; I733-L790 HydrophobicContact CD1-CD2 3.58Å; I733-L790 HydrophobicContact CD1-CG 3.44Å; I733-L790 VanDerWaalsContact CD1-CG 3.44Å; I733-I793 HydrophobicContact CG2-CD1 3.79Å
734	I	90.8	Very high	90.4	Very high	7 Å²	7	11.1 Å²	11.1	4%	0.036	7%	0.066	C	C	.	.	H	α-helix	trans	-68.4	-38.6	172.4	-66.2	-67.4	0	0	0	110.1	F611 Y619 M730 E731 F736 G737 F738	F611-I734 HydrophobicContact CD2-CD1 4.49Å; F611-I734 HydrophobicContact CE2-CD1 4.26Å; Y619-I734 HydrophobicContact CE2-CD1 4.02Å; Y619-I734 PolarHBondContact OH-O 3.31Å; M730-I734 VanDerWaalsContact O-CG1 3.3Å; M730-I734 WeakPolarHBondContact O-CG1 3.3Å; M730-I734 PolarHBondContact O-N 2.88Å; E731-I734 PolarHBondContact O-N 3.47Å; I734-F736 PolarHBondContact O-N 3.06Å; I734-G737 PolarHBondContact O-N 3.46Å; I734-F738 HydrophobicContact CG2-CD2 4.31Å; I734-F738 HydrophobicContact CG2-CE2 3.73Å; I734-F738 HydrophobicContact CG2-CZ 4.1Å; I734-F738 WeakPolarHBondContact O-CD2 3.26Å; I734-F738 PolarHBondContact O-N 2.86Å
735	Q	90.9	Very high	90.5	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.023	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-44.2	173.1	-168.3	-152.9	34.2	0	0	112.3	Y338 E731 M732 G737 F738 V739 A753 N756 N757	Y338-Q735 PolarHBondContact OH-OE1 3.31Å; Y338-Q735 VanDerWaalsContact OH-OE1 3.1Å; E731-Q735 WeakPolarHBondContact O-CB 3.38Å; E731-Q735 PolarHBondContact O-N 3.38Å; M732-Q735 PolarHBondContact O-N 2.87Å; Q735-G737 VanDerWaalsContact C-N 3.25Å; Q735-G737 PolarHBondContact O-N 3.3Å; Q735-F738 PolarHBondContact O-N 3.28Å; Q735-F738 VanDerWaalsContact O-N 3.13Å; Q735-V739 WeakPolarHBondContact O-CG2 3.47Å; Q735-V739 PolarHBondContact O-N 3.41Å; Q735-A753 HydrophobicContact CG-CB 4.31Å; Q735-A753 PolarHBondContact NE2-O 3.12Å; Q735-N756 PolarHBondContact NE2-ND2 2.82Å; Q735-N757 VanDerWaalsContact CD-OD1 3.32Å; Q735-N757 PolarHBondContact NE2-OD1 3.38Å; Q735-N757 PolarHBondContact OE1-OD1 2.91Å
736	F	93.4	Very high	90.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.6	-37.8	173.7	175.6	-94.9	0	0	0	112.2	Y338 W419 A420 F423 M424 M732 I733 I734 V739 T740 L790 I793	Y338-F736 AromaticContact CE2-CD2 3.94Å; Y338-F736 HydrophobicContact CE2-CD2 3.94Å; Y338-F736 WeakPolarHBondContact OH-CA 3.37Å; Y338-F736 PolarHBondContact OH-N 2.91Å; W419-F736 HydrophobicContact CH2-CD2 4.47Å; W419-F736 HydrophobicContact CH2-CE2 4.19Å; W419-F736 HydrophobicContact CZ3-CD2 4.48Å; W419-F736 AromaticContact CZ3-CE2 3.89Å; W419-F736 HydrophobicContact CZ3-CE2 3.89Å; A420-F736 HydrophobicContact CB-CZ 4.36Å; F423-F736 AromaticContact CD1-CE2 3.83Å; F423-F736 HydrophobicContact CD1-CE2 3.83Å; F423-F736 HydrophobicContact CD1-CZ 4.46Å; F423-F736 HydrophobicContact CE1-CD2 4.22Å; F423-F736 AromaticContact CE1-CE2 3.85Å; F423-F736 HydrophobicContact CE1-CE2 3.85Å; M424-F736 HydrophobicContact CE-CE1 3.99Å; M424-F736 HydrophobicContact CE-CE2 4.08Å; M424-F736 HydrophobicContact CE-CZ 3.42Å; M424-F736 VanDerWaalsContact CE-CZ 3.42Å; M732-F736 WeakPolarHBondContact O-CB 3.42Å; M732-F736 PolarHBondContact O-N 2.9Å; I733-F736 PolarHBondContact O-N 3.38Å; I734-F736 PolarHBondContact O-N 3.06Å; F736-V739 PolarHBondContact O-N 3.47Å; F736-T740 HydrophobicContact CD1-CG2 4.47Å; F736-T740 HydrophobicContact CD2-CG2 4.3Å; F736-T740 HydrophobicContact CE1-CG2 4.04Å; F736-T740 HydrophobicContact CE2-CG2 3.85Å; F736-T740 HydrophobicContact CZ-CG2 3.7Å; F736-T740 WeakPolarHBondContact O-CB 3.39Å; F736-T740 WeakPolarHBondContact O-CG2 3.25Å; F736-T740 PolarHBondContact O-N 2.91Å; F736-T740 PolarHBondContact O-OG1 3.02Å; F736-L790 HydrophobicContact CB-CD2 4.24Å; F736-L790 HydrophobicContact CD1-CD2 3.47Å; F736-L790 VanDerWaalsContact CD1-CD2 3.47Å; F736-L790 HydrophobicContact CD2-CD2 4.19Å; F736-L790 HydrophobicContact CE1-CD2 3.78Å; F736-L790 HydrophobicContact CE2-CD2 4.46Å; F736-L790 HydrophobicContact CG-CD2 3.7Å; F736-L790 HydrophobicContact CZ-CD2 4.28Å; F736-I793 HydrophobicContact CD1-CB 4.37Å; F736-I793 HydrophobicContact CD1-CG2 3.92Å; F736-I793 HydrophobicContact CE1-CB 4.23Å; F736-I793 HydrophobicContact CE1-CG2 3.94Å
737	G	93.3	Very high	90.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67.7	-38.2	174.4	0	0	0	0	0	113.6	Y619 I733 I734 Q735 V739 T740 L741	Y619-G737 WeakPolarHBondContact OH-CA 3.27Å; I733-G737 PolarHBondContact O-N 2.82Å; I733-G737 VanDerWaalsContact O-N 3.14Å; I734-G737 PolarHBondContact O-N 3.46Å; Q735-G737 VanDerWaalsContact C-N 3.25Å; Q735-G737 PolarHBondContact O-N 3.3Å; G737-V739 VanDerWaalsContact C-N 3.33Å; G737-V739 PolarHBondContact O-N 3.34Å; G737-T740 PolarHBondContact O-N 2.9Å; G737-L741 WeakPolarHBondContact O-CB 3.46Å; G737-L741 VanDerWaalsContact O-CG 3.24Å; G737-L741 WeakPolarHBondContact O-CG 3.48Å; G737-L741 PolarHBondContact O-N 3Å
738	F	90.3	Very high	90.7	Very high	7 Å²	7	6.4 Å²	6.4	3%	0.031	3%	0.031	C	C	.	.	H	α-helix	trans	-61	-41.9	170.4	-68.1	-51.4	0	0	0	112.1	S618 Y619 I622 I667 M668 I734 Q735 T740	S618-F738 VanDerWaalsContact OG-CZ 3.28Å; S618-F738 WeakPolarHBondContact OG-CZ 3.34Å; Y619-F738 HydrophobicContact CD1-CD1 4.13Å; Y619-F738 AromaticContact CD1-CE1 3.9Å; Y619-F738 HydrophobicContact CD1-CE1 3.9Å; Y619-F738 AromaticContact CE1-CD1 3.45Å; Y619-F738 HydrophobicContact CE1-CD1 3.45Å; Y619-F738 VanDerWaalsContact CE1-CD1 3.45Å; Y619-F738 AromaticContact CE1-CE1 3.51Å; Y619-F738 HydrophobicContact CE1-CE1 3.51Å; Y619-F738 HydrophobicContact CE1-CG 4.21Å; Y619-F738 HydrophobicContact CE1-CZ 4.35Å; Y619-F738 PolarHBondContact OH-N 2.84Å; I622-F738 HydrophobicContact CD1-CD1 4.14Å; I622-F738 HydrophobicContact CD1-CE1 3.6Å; I667-F738 HydrophobicContact CG2-CE1 4.14Å; I667-F738 HydrophobicContact CG2-CE2 4.32Å; I667-F738 HydrophobicContact CG2-CZ 3.59Å; M668-F738 HydrophobicContact SD-CB 4.39Å; I734-F738 HydrophobicContact CG2-CD2 4.31Å; I734-F738 HydrophobicContact CG2-CE2 3.73Å; I734-F738 HydrophobicContact CG2-CZ 4.1Å; I734-F738 WeakPolarHBondContact O-CD2 3.26Å; I734-F738 PolarHBondContact O-N 2.86Å; Q735-F738 PolarHBondContact O-N 3.28Å; Q735-F738 VanDerWaalsContact O-N 3.13Å; F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å
739	V	92.2	Very high	90.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-69.2	-26.3	-179.3	173.3	0	0	0	0	113	L342 M416 Q735 F736 G737 V743 P750 A753	L342-V739 HydrophobicContact CD2-CG1 4.02Å; M416-V739 HydrophobicContact CE-CG1 3.85Å; Q735-V739 WeakPolarHBondContact O-CG2 3.47Å; Q735-V739 PolarHBondContact O-N 3.41Å; F736-V739 PolarHBondContact O-N 3.47Å; G737-V739 VanDerWaalsContact C-N 3.33Å; G737-V739 PolarHBondContact O-N 3.34Å; V739-V743 WeakPolarHBondContact O-CB 3.5Å; V739-P750 HydrophobicContact CG1-CB 4.36Å; V739-P750 HydrophobicContact CG1-CG 4.14Å; V739-A753 HydrophobicContact CG2-CB 3.42Å; V739-A753 VanDerWaalsContact CG2-CB 3.42Å
740	T	94.5	Very high	90.9	Very high	3 Å²	3	4.6 Å²	4.6	2%	0.018	2%	0.023	C	C	.	.	H	α-helix	trans	-106.4	-44	-175	52.8	0	0	0	0	114.2	W419 A420 F736 G737 F738 F742 N801	W419-T740 HydrophobicContact CZ3-CG2 4.04Å; A420-T740 HydrophobicContact CB-CG2 4.37Å; F736-T740 HydrophobicContact CD1-CG2 4.47Å; F736-T740 HydrophobicContact CD2-CG2 4.3Å; F736-T740 HydrophobicContact CE1-CG2 4.04Å; F736-T740 HydrophobicContact CE2-CG2 3.85Å; F736-T740 HydrophobicContact CZ-CG2 3.7Å; F736-T740 WeakPolarHBondContact O-CB 3.39Å; F736-T740 WeakPolarHBondContact O-CG2 3.25Å; F736-T740 PolarHBondContact O-N 2.91Å; F736-T740 PolarHBondContact O-OG1 3.02Å; G737-T740 PolarHBondContact O-N 2.9Å; F738-T740 VanDerWaalsContact C-N 3.32Å; F738-T740 PolarHBondContact O-N 2.93Å; T740-F742 PolarHBondContact O-N 3.41Å; T740-N801 PolarHBondContact O-ND2 3.22Å
741	L	93.3	Very high	91	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-69	-34.8	-172.1	-64.3	175.4	0	0	0	113.5	F615 Y619 G737 I793 L796 A797 I800 N801	F615-L741 HydrophobicContact CE2-CD1 4.05Å; F615-L741 HydrophobicContact CZ-CD1 4.11Å; Y619-L741 HydrophobicContact CD1-CD1 4.28Å; Y619-L741 HydrophobicContact CE1-CD1 4Å; Y619-L741 HydrophobicContact CE2-CD1 4.32Å; G737-L741 WeakPolarHBondContact O-CB 3.46Å; G737-L741 VanDerWaalsContact O-CG 3.24Å; G737-L741 WeakPolarHBondContact O-CG 3.48Å; G737-L741 PolarHBondContact O-N 3Å; L741-I793 HydrophobicContact CD2-CG2 4.28Å; L741-I793 HydrophobicContact CG-CG2 4.36Å; L741-L796 HydrophobicContact CD2-CB 4.26Å; L741-L796 HydrophobicContact CD2-CD2 4.22Å; L741-L796 HydrophobicContact CD2-CG 4.01Å; L741-A797 HydrophobicContact CD2-CB 4.05Å; L741-I800 HydrophobicContact CB-CG2 4.48Å; L741-I800 HydrophobicContact CD2-CG1 4.36Å; L741-I800 WeakPolarHBondContact O-CG2 3.31Å; L741-N801 PolarHBondContact O-OD1 3.14Å
742	F	90.8	Very high	91.2	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	15.3	-170.3	-62.2	-78.1	0	0	0	113.6	Y619 I622 F623 L664 T740 A744 S745 F746 I800	Y619-F742 AromaticContact CD1-CE2 3.71Å; Y619-F742 HydrophobicContact CD1-CE2 3.71Å; Y619-F742 HydrophobicContact CE1-CE2 4.19Å; I622-F742 HydrophobicContact CB-CE1 4.5Å; I622-F742 HydrophobicContact CB-CE2 4.45Å; I622-F742 HydrophobicContact CB-CZ 4.12Å; I622-F742 HydrophobicContact CG2-CD1 3.83Å; I622-F742 HydrophobicContact CG2-CD2 4.06Å; I622-F742 HydrophobicContact CG2-CE1 3.52Å; I622-F742 HydrophobicContact CG2-CE2 3.79Å; I622-F742 HydrophobicContact CG2-CG 4.09Å; I622-F742 HydrophobicContact CG2-CZ 3.48Å; I622-F742 VanDerWaalsContact CG2-CZ 3.48Å; F623-F742 AromaticContact CD1-CE1 3.97Å; F623-F742 HydrophobicContact CD1-CE1 3.97Å; F623-F742 AromaticContact CD1-CZ 3.63Å; F623-F742 HydrophobicContact CD1-CZ 3.63Å; F623-F742 HydrophobicContact CE1-CE1 4.02Å; F623-F742 HydrophobicContact CE1-CE2 4.4Å; F623-F742 AromaticContact CE1-CZ 3.46Å; F623-F742 HydrophobicContact CE1-CZ 3.46Å; F623-F742 VanDerWaalsContact CE1-CZ 3.46Å; F623-F742 HydrophobicContact CG-CZ 4.33Å; F623-F742 HydrophobicContact CZ-CZ 4.04Å; L664-F742 HydrophobicContact CD1-CB 3.53Å; L664-F742 HydrophobicContact CD1-CD2 4.13Å; L664-F742 HydrophobicContact CD1-CG 4.03Å; T740-F742 PolarHBondContact O-N 3.41Å; F742-A744 VanDerWaalsContact C-N 3.25Å; F742-A744 PolarHBondContact O-N 3.13Å; F742-S745 PolarHBondContact O-N 3.11Å; F742-S745 PolarHBondContact O-OG 3.2Å; F742-F746 PolarHBondContact O-N 2.89Å; F742-I800 HydrophobicContact CE1-CG2 4.22Å
743	V	91.4	Very high	91.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.6	-170.5	76.7	0	0	0	0	113.6	F412 M416 V739 S745 F746 N801	F412-V743 HydrophobicContact CD1-CG2 3.97Å; F412-V743 HydrophobicContact CE1-CG2 3.45Å; F412-V743 VanDerWaalsContact CE1-CG2 3.45Å; F412-V743 HydrophobicContact CZ-CG2 4.32Å; M416-V743 HydrophobicContact CB-CG1 3.76Å; M416-V743 HydrophobicContact CB-CG2 4.42Å; M416-V743 HydrophobicContact CE-CG2 4.28Å; M416-V743 HydrophobicContact CG-CB 4.49Å; M416-V743 HydrophobicContact CG-CG1 4.02Å; M416-V743 HydrophobicContact CG-CG2 3.78Å; V739-V743 WeakPolarHBondContact O-CB 3.5Å; V743-S745 PolarHBondContact O-N 3.15Å; V743-F746 CarbonylContact O-C 3.47Å; V743-F746 PolarHBondContact O-N 3.2Å; V743-N801 PolarHBondContact N-OD1 2.99Å
744	A	88.3	Confident	91.2	Very high	4 Å²	4	8.4 Å²	8.4	3%	0.033	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.2	171.2	0	0	0	0	0	113.9	F742 N801 V804 I805	F742-A744 VanDerWaalsContact C-N 3.25Å; F742-A744 PolarHBondContact O-N 3.13Å; A744-N801 HydrophobicContact CB-CB 4.21Å; A744-N801 VanDerWaalsContact CB-OD1 3.28Å; A744-N801 WeakPolarHBondContact CB-OD1 3.12Å; A744-N801 PolarHBondContact N-OD1 3.08Å; A744-V804 HydrophobicContact CB-CB 4.48Å; A744-V804 HydrophobicContact CB-CG1 4.11Å; A744-I805 HydrophobicContact CB-CD1 3.93Å; A744-I805 HydrophobicContact CB-CG1 3.62Å
745	S	86.8	Confident	91.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-35.6	173.7	68.4	0	0	0	0	113	C661 F742 V743	C661-S745 PolarHBondContact SG-O 3.44Å; F742-S745 PolarHBondContact O-N 3.11Å; F742-S745 PolarHBondContact O-OG 3.2Å; V743-S745 PolarHBondContact O-N 3.15Å
746	F	87.4	Confident	91	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.035	7%	0.067	C	C	.	.			trans	-133.5	90.1	-170.2	-171.8	-122.5	0	0	0	113	F404 C661 L664 M668 F742 V743 L748 A749 F752	F404-F746 HydrophobicContact CD1-CD2 4.1Å; F404-F746 AromaticContact CE1-CD2 3.72Å; F404-F746 HydrophobicContact CE1-CD2 3.72Å; F404-F746 AromaticContact CE1-CE2 3.83Å; F404-F746 HydrophobicContact CE1-CE2 3.83Å; F404-F746 HydrophobicContact CZ-CE2 4.47Å; C661-F746 HydrophobicContact CB-CD2 4.3Å; L664-F746 HydrophobicContact CD2-CB 4.41Å; L664-F746 HydrophobicContact CD2-CD1 3.66Å; L664-F746 HydrophobicContact CD2-CE1 4.39Å; L664-F746 HydrophobicContact CD2-CG 4.34Å; M668-F746 HydrophobicContact CE-CE1 4.2Å; F742-F746 PolarHBondContact O-N 2.89Å; V743-F746 CarbonylContact O-C 3.47Å; V743-F746 PolarHBondContact O-N 3.2Å; F746-L748 HydrophobicContact CE1-CB 4.05Å; F746-L748 HydrophobicContact CE2-CB 3.93Å; F746-L748 HydrophobicContact CE2-CD1 4.49Å; F746-L748 HydrophobicContact CZ-CB 3.59Å; F746-L748 PolarHBondContact O-N 3.32Å; F746-L748 VanDerWaalsContact O-N 3.17Å; F746-A749 HydrophobicContact CD1-CB 3.77Å; F746-A749 HydrophobicContact CE1-CB 4.37Å; F746-A749 WeakPolarHBondContact O-CB 3.44Å; F746-A749 PolarHBondContact O-N 3.01Å; F746-A749 VanDerWaalsContact O-N 3.12Å; F746-F752 AromaticContact CE1-CD2 3.76Å; F746-F752 HydrophobicContact CE1-CD2 3.76Å; F746-F752 AromaticContact CE1-CE2 3.84Å; F746-F752 HydrophobicContact CE1-CE2 3.84Å; F746-F752 AromaticContact CZ-CD2 3.92Å; F746-F752 HydrophobicContact CZ-CD2 3.92Å; F746-F752 AromaticContact CZ-CE2 3.5Å; F746-F752 HydrophobicContact CZ-CE2 3.5Å; F746-F752 VanDerWaalsContact CZ-CE2 3.5Å; F746-F752 HydrophobicContact CZ-CZ 4.26Å
747	P	90.4	Very high	90.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.5	-176.4	-26	36.8	0	0	0	115.3	G349 V352 T409 F412 A749 P750	G349-P747 WeakPolarHBondContact CA-O 3.42Å; V352-P747 HydrophobicContact CG1-CB 4.23Å; V352-P747 HydrophobicContact CG1-CG 4.18Å; T409-P747 HydrophobicContact CG2-CG 3.6Å; F412-P747 HydrophobicContact CD1-CB 3.93Å; F412-P747 HydrophobicContact CD1-CG 4.46Å; F412-P747 HydrophobicContact CE1-CB 3.95Å; F412-P747 WeakPolarHBondContact CE1-O 3.35Å; P747-A749 VanDerWaalsContact C-N 3.3Å; P747-A749 PolarHBondContact O-N 3.11Å; P747-P750 VanDerWaalsContact O-CD 3.28Å; P747-P750 WeakPolarHBondContact O-CD 3.39Å
748	L	90.1	Very high	90.7	Very high	23 Å²	23	15.8 Å²	15.8	12%	0.12	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	0.1	178.2	-62.3	176.7	0	0	0	113.4	I350 F353 F746 P750 L751 F752	I350-L748 HydrophobicContact CG1-CD2 4.12Å; F353-L748 HydrophobicContact CB-CD2 3.88Å; F353-L748 HydrophobicContact CB-CG 4.21Å; F353-L748 HydrophobicContact CD1-CD1 4.1Å; F353-L748 HydrophobicContact CD1-CD2 4.27Å; F353-L748 HydrophobicContact CD2-CD1 3.73Å; F353-L748 HydrophobicContact CD2-CD2 4.43Å; F353-L748 HydrophobicContact CD2-CG 3.93Å; F353-L748 HydrophobicContact CE1-CD1 4.1Å; F353-L748 HydrophobicContact CE2-CD1 3.72Å; F353-L748 HydrophobicContact CE2-CG 4.41Å; F353-L748 HydrophobicContact CG-CD1 3.91Å; F353-L748 HydrophobicContact CG-CD2 3.95Å; F353-L748 HydrophobicContact CG-CG 3.97Å; F353-L748 HydrophobicContact CZ-CD1 3.9Å; F746-L748 HydrophobicContact CE1-CB 4.05Å; F746-L748 HydrophobicContact CE2-CB 3.93Å; F746-L748 HydrophobicContact CE2-CD1 4.49Å; F746-L748 HydrophobicContact CZ-CB 3.59Å; F746-L748 PolarHBondContact O-N 3.32Å; F746-L748 VanDerWaalsContact O-N 3.17Å; L748-P750 VanDerWaalsContact C-CD 3.47Å; L748-L751 HydrophobicContact CD2-CD2 4.36Å; L748-L751 WeakPolarHBondContact O-CB 3.3Å; L748-L751 PolarHBondContact O-N 3.38Å; L748-L751 VanDerWaalsContact O-N 3.07Å; L748-F752 PolarHBondContact O-N 3Å
749	A	90.8	Very high	90.5	Very high	1 Å²	1	20 Å²	20	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-52.4	-45.3	177.8	0	0	0	0	0	113.7	F746 P747 L751 F752 A753	F746-A749 HydrophobicContact CD1-CB 3.77Å; F746-A749 HydrophobicContact CE1-CB 4.37Å; F746-A749 WeakPolarHBondContact O-CB 3.44Å; F746-A749 PolarHBondContact O-N 3.01Å; F746-A749 VanDerWaalsContact O-N 3.12Å; P747-A749 VanDerWaalsContact C-N 3.3Å; P747-A749 PolarHBondContact O-N 3.11Å; A749-L751 VanDerWaalsContact C-N 3.29Å; A749-L751 PolarHBondContact O-N 3.45Å; A749-F752 PolarHBondContact O-N 2.85Å; A749-A753 PolarHBondContact O-N 3.15Å
750	P	94	Very high	90.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-29	179.3	-18.7	32.5	0	0	0	113.1	L342 A345 S346 F412 M416 V739 P747 L748 L754	L342-P750 HydrophobicContact CD2-CB 4.09Å; A345-P750 HydrophobicContact CB-CB 3.81Å; A345-P750 HydrophobicContact CB-CG 4.11Å; S346-P750 VanDerWaalsContact OG-C 3.28Å; S346-P750 PolarHBondContact OG-O 2.93Å; S346-P750 VanDerWaalsContact OG-O 3.05Å; F412-P750 HydrophobicContact CZ-CG 4.13Å; M416-P750 HydrophobicContact CE-CG 4.08Å; M416-P750 HydrophobicContact SD-CG 4.26Å; V739-P750 HydrophobicContact CG1-CB 4.36Å; V739-P750 HydrophobicContact CG1-CG 4.14Å; P747-P750 VanDerWaalsContact O-CD 3.28Å; P747-P750 WeakPolarHBondContact O-CD 3.39Å; L748-P750 VanDerWaalsContact C-CD 3.47Å; P750-L754 VanDerWaalsContact O-CB 3.27Å; P750-L754 WeakPolarHBondContact O-CB 3.46Å; P750-L754 PolarHBondContact O-N 3.18Å
751	L	92.8	Very high	90.1	Very high	42 Å²	42	20.4 Å²	20.4	22%	0.22	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-46.9	177.4	175.3	62.5	0	0	0	111.2	S346 I350 L748 A749 A753 L754 L755	S346-L751 WeakPolarHBondContact OG-CA 3.39Å; S346-L751 PolarHBondContact OG-N 3.4Å; I350-L751 HydrophobicContact CD1-CD1 4.21Å; I350-L751 HydrophobicContact CD1-CD2 4.04Å; I350-L751 HydrophobicContact CG1-CD2 4.11Å; L748-L751 HydrophobicContact CD2-CD2 4.36Å; L748-L751 WeakPolarHBondContact O-CB 3.3Å; L748-L751 PolarHBondContact O-N 3.38Å; L748-L751 VanDerWaalsContact O-N 3.07Å; A749-L751 VanDerWaalsContact C-N 3.29Å; A749-L751 PolarHBondContact O-N 3.45Å; L751-A753 VanDerWaalsContact C-N 3.31Å; L751-A753 PolarHBondContact O-N 3.3Å; L751-L754 PolarHBondContact O-N 2.92Å; L751-L755 HydrophobicContact CD1-CD1 4.44Å; L751-L755 HydrophobicContact CD1-CG 4.41Å; L751-L755 HydrophobicContact CG-CD1 4.4Å; L751-L755 WeakPolarHBondContact O-CG 3.33Å; L751-L755 PolarHBondContact O-N 2.95Å
752	F	89.8	Confident	89.9	Confident	55 Å²	55	20.9 Å²	20.9	24%	0.241	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-35.4	176.7	-66.5	-14.1	0	0	0	111.7	M668 L669 F746 L748 A749 N756	M668-F752 HydrophobicContact CE-CB 3.57Å; M668-F752 HydrophobicContact CE-CD2 3.71Å; M668-F752 HydrophobicContact CE-CG 4.15Å; M668-F752 HydrophobicContact SD-CB 4.47Å; L669-F752 HydrophobicContact CD1-CD2 4.13Å; L669-F752 HydrophobicContact CD1-CE2 3.9Å; L669-F752 HydrophobicContact CD1-CZ 4.41Å; L669-F752 HydrophobicContact CD2-CB 4.13Å; L669-F752 HydrophobicContact CD2-CD1 4.47Å; L669-F752 HydrophobicContact CD2-CD2 3.96Å; L669-F752 HydrophobicContact CD2-CE2 4.47Å; L669-F752 HydrophobicContact CD2-CG 3.96Å; L669-F752 HydrophobicContact CG-CD2 4.11Å; L669-F752 HydrophobicContact CG-CE2 4.4Å; F746-F752 AromaticContact CE1-CD2 3.76Å; F746-F752 HydrophobicContact CE1-CD2 3.76Å; F746-F752 AromaticContact CE1-CE2 3.84Å; F746-F752 HydrophobicContact CE1-CE2 3.84Å; F746-F752 AromaticContact CZ-CD2 3.92Å; F746-F752 HydrophobicContact CZ-CD2 3.92Å; F746-F752 AromaticContact CZ-CE2 3.5Å; F746-F752 HydrophobicContact CZ-CE2 3.5Å; F746-F752 VanDerWaalsContact CZ-CE2 3.5Å; F746-F752 HydrophobicContact CZ-CZ 4.26Å; L748-F752 PolarHBondContact O-N 3Å; A749-F752 PolarHBondContact O-N 2.85Å; F752-N756 WeakPolarHBondContact O-CB 3.39Å; F752-N756 PolarHBondContact O-N 2.9Å
753	A	90.8	Very high	89.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.4	-41	171.7	0	0	0	0	0	112.9	L342 Q735 V739 A749 L751 N756 N757	L342-A753 HydrophobicContact CD1-CB 3.95Å; L342-A753 HydrophobicContact CD2-CB 4.33Å; Q735-A753 HydrophobicContact CG-CB 4.31Å; Q735-A753 PolarHBondContact NE2-O 3.12Å; V739-A753 HydrophobicContact CG2-CB 3.42Å; V739-A753 VanDerWaalsContact CG2-CB 3.42Å; A749-A753 PolarHBondContact O-N 3.15Å; L751-A753 VanDerWaalsContact C-N 3.31Å; L751-A753 PolarHBondContact O-N 3.3Å; A753-N756 WeakPolarHBondContact O-CB 3.33Å; A753-N756 PolarHBondContact O-N 3.05Å; A753-N757 VanDerWaalsContact O-CG 3.29Å; A753-N757 PolarHBondContact O-N 3.48Å; A753-N757 PolarHBondContact O-OD1 3.38Å
754	L	92.9	Very high	89.6	Confident	21 Å²	21	21.3 Å²	21.3	11%	0.11	11%	0.108	C	C	.	.	H	α-helix	trans	-61.9	-48	176.2	178.7	67.1	0	0	0	111.7	T339 L342 I343 P750 L751 N756 N757 I758	T339-L754 HydrophobicContact CG2-CD1 3.82Å; T339-L754 WeakPolarHBondContact O-CD1 3.41Å; L342-L754 HydrophobicContact CB-CB 4.18Å; L342-L754 HydrophobicContact CB-CD1 4.05Å; I343-L754 HydrophobicContact CG1-CD1 3.77Å; I343-L754 HydrophobicContact CG1-CD2 4.14Å; P750-L754 VanDerWaalsContact O-CB 3.27Å; P750-L754 WeakPolarHBondContact O-CB 3.46Å; P750-L754 PolarHBondContact O-N 3.18Å; L751-L754 PolarHBondContact O-N 2.92Å; L754-N756 VanDerWaalsContact C-N 3.3Å; L754-N756 PolarHBondContact O-N 3.21Å; L754-N757 PolarHBondContact O-N 3.01Å; L754-I758 HydrophobicContact CD1-CD1 4.31Å; L754-I758 HydrophobicContact CG-CD1 4.13Å; L754-I758 WeakPolarHBondContact O-CG1 3.5Å; L754-I758 PolarHBondContact O-N 3.24Å; L754-I758 VanDerWaalsContact O-N 3.17Å
755	L	89.7	Confident	89.7	Confident	93 Å²	93	21.1 Å²	21.1	49%	0.487	11%	0.107	S	C	.	.	H	α-helix	trans	-60.4	-40.9	177.6	-70.8	174	0	0	0	111.7	L751	L751-L755 HydrophobicContact CD1-CD1 4.44Å; L751-L755 HydrophobicContact CD1-CG 4.41Å; L751-L755 HydrophobicContact CG-CD1 4.4Å; L751-L755 WeakPolarHBondContact O-CG 3.33Å; L751-L755 PolarHBondContact O-N 2.95Å
756	N	87.3	Confident	89.8	Confident	17 Å²	17	23.6 Å²	23.6	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-58.9	-57	172.8	178.6	43.3	0	0	0	111.6	Q672 Q735 F752 A753 L754 I758 I759 E760	Q672-N756 VanDerWaalsContact CD-CG 3.47Å; Q672-N756 HydrophobicContact CG-CB 4.22Å; Q672-N756 WeakPolarHBondContact CG-OD1 3.49Å; Q672-N756 PolarHBondContact NE2-ND2 3.41Å; Q672-N756 PolarHBondContact NE2-OD1 2.94Å; Q735-N756 PolarHBondContact NE2-ND2 2.82Å; F752-N756 WeakPolarHBondContact O-CB 3.39Å; F752-N756 PolarHBondContact O-N 2.9Å; A753-N756 WeakPolarHBondContact O-CB 3.33Å; A753-N756 PolarHBondContact O-N 3.05Å; L754-N756 VanDerWaalsContact C-N 3.3Å; L754-N756 PolarHBondContact O-N 3.21Å; N756-I758 PolarHBondContact O-N 3.1Å; N756-I758 VanDerWaalsContact O-N 3.1Å; N756-I759 WeakPolarHBondContact O-CA 3.35Å; N756-I759 WeakPolarHBondContact O-CB 3.34Å; N756-I759 PolarHBondContact O-N 3.45Å; N756-E760 PolarHBondContact O-N 3.05Å
757	N	90.4	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-30.6	-172.2	-67.5	16.7	0	0	0	113.1	Y338 T339 Q735 A753 L754 I759 E760 I761	Y338-N757 WeakPolarHBondContact CD1-ND2 3.34Å; Y338-N757 VanDerWaalsContact CE1-ND2 3.28Å; Y338-N757 WeakPolarHBondContact CE1-ND2 3.39Å; T339-N757 HydrophobicContact CG2-CB 3.94Å; T339-N757 WeakPolarHBondContact OG1-CB 3.31Å; T339-N757 PolarHBondContact OG1-ND2 3.35Å; Q735-N757 VanDerWaalsContact CD-OD1 3.32Å; Q735-N757 PolarHBondContact NE2-OD1 3.38Å; Q735-N757 PolarHBondContact OE1-OD1 2.91Å; A753-N757 VanDerWaalsContact O-CG 3.29Å; A753-N757 PolarHBondContact O-N 3.48Å; A753-N757 PolarHBondContact O-OD1 3.38Å; L754-N757 PolarHBondContact O-N 3.01Å; N757-I759 VanDerWaalsContact C-N 3.31Å; N757-I759 PolarHBondContact O-N 2.89Å; N757-E760 PolarHBondContact O-N 2.8Å; N757-I761 WeakPolarHBondContact O-CB 3.24Å; N757-I761 WeakPolarHBondContact O-CD1 3.05Å; N757-I761 WeakPolarHBondContact O-CG1 3.37Å; N757-I761 PolarHBondContact O-N 2.98Å
758	I	90.1	Very high	89.8	Confident	57 Å²	57	24.4 Å²	24.4	29%	0.292	12%	0.121	S	C	.	.	H	α-helix	trans	-62.7	-38.6	174.8	-69.6	165.6	0	0	0	111.3	F311 T339 L754 N756	F311-I758 HydrophobicContact CB-CG2 4.19Å; F311-I758 HydrophobicContact CD2-CG2 3.91Å; F311-I758 HydrophobicContact CG-CG2 4.43Å; T339-I758 HydrophobicContact CG2-CG1 4.22Å; L754-I758 HydrophobicContact CD1-CD1 4.31Å; L754-I758 HydrophobicContact CG-CD1 4.13Å; L754-I758 WeakPolarHBondContact O-CG1 3.5Å; L754-I758 PolarHBondContact O-N 3.24Å; L754-I758 VanDerWaalsContact O-N 3.17Å; N756-I758 PolarHBondContact O-N 3.1Å; N756-I758 VanDerWaalsContact O-N 3.1Å
759	I	86.9	Confident	89.9	Confident	94 Å²	94	23.3 Å²	23.3	48%	0.482	12%	0.115	S	C	.	.	H	α-helix	trans	-73.8	-49.7	174.1	-60.5	170.6	0	0	0	109.4	N756 N757 I761 R762 L763	N756-I759 WeakPolarHBondContact O-CA 3.35Å; N756-I759 WeakPolarHBondContact O-CB 3.34Å; N756-I759 PolarHBondContact O-N 3.45Å; N757-I759 VanDerWaalsContact C-N 3.31Å; N757-I759 PolarHBondContact O-N 2.89Å; I759-I761 PolarHBondContact O-N 3.5Å; I759-R762 PolarHBondContact O-N 3.48Å; I759-L763 PolarHBondContact O-N 2.71Å
760	E	87.6	Confident	89.6	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-52.7	-52.5	-176.5	-160.3	79.2	175.7	0	0	112.3	Q672 N676 M732 N756 N757 R762 L763 D764	Q672-E760 PolarHBondContact NE2-OE2 2.93Å; Q672-E760 VanDerWaalsContact NE2-OE2 3.12Å; N676-E760 PolarHBondContact ND2-OE2 3.19Å; M732-E760 HydrophobicContact CE-CG 3.62Å; M732-E760 VanDerWaalsContact CE-OE1 3.32Å; M732-E760 WeakPolarHBondContact CE-OE1 3.27Å; M732-E760 HydrophobicContact SD-CG 4.15Å; N756-E760 PolarHBondContact O-N 3.05Å; N757-E760 PolarHBondContact O-N 2.8Å; E760-R762 PolarHBondContact O-N 3.29Å; E760-L763 PolarHBondContact O-N 2.59Å; E760-D764 WeakPolarHBondContact O-CB 3.4Å; E760-D764 PolarHBondContact O-N 3.46Å
761	I	89.9	Confident	89.2	Confident	9 Å²	9	26.4 Å²	26.4	5%	0.046	13%	0.131	C	C	.	.	H	α-helix	trans	-51.2	-38.3	179.2	-74.5	164.3	0	0	0	111.7	Q315 L335 T339 N757 I759 A765	Q315-I761 HydrophobicContact CG-CG2 4.16Å; L335-I761 HydrophobicContact CD2-CB 4.45Å; L335-I761 HydrophobicContact CD2-CG1 3.49Å; L335-I761 VanDerWaalsContact CD2-CG1 3.49Å; L335-I761 HydrophobicContact CG-CD1 4.17Å; L335-I761 HydrophobicContact CG-CG1 3.59Å; T339-I761 HydrophobicContact CG2-CD1 4.24Å; T339-I761 WeakPolarHBondContact OG1-CD1 3.45Å; N757-I761 WeakPolarHBondContact O-CB 3.24Å; N757-I761 WeakPolarHBondContact O-CD1 3.05Å; N757-I761 WeakPolarHBondContact O-CG1 3.37Å; N757-I761 PolarHBondContact O-N 2.98Å; I759-I761 PolarHBondContact O-N 3.5Å; I761-A765 WeakPolarHBondContact O-CB 3.45Å; I761-A765 PolarHBondContact O-N 3.36Å; I761-A765 VanDerWaalsContact O-N 3.15Å
762	R	90.1	Very high	89	Confident	10 Å²	10	25.5 Å²	25.5	4%	0.038	13%	0.126	C	C	.	.	H	α-helix	trans	-84.2	-34.2	-176.5	-55.4	-58.8	168.3	163.1	4.6	112.1	W305 Y308 V310 F311 K313 I759 E760 K766	W305-R762 VanDerWaalsContact O-CD 3.3Å; W305-R762 WeakPolarHBondContact O-CD 3.39Å; W305-R762 PolarHBondContact O-NH1 2.96Å; Y308-R762 HydrophobicContact CD1-CB 3.84Å; Y308-R762 HydrophobicContact CE1-CB 4.2Å; V310-R762 VanDerWaalsContact O-CZ 3.27Å; V310-R762 PolarHBondContact O-NH1 3.49Å; V310-R762 PolarHBondContact O-NH2 3.34Å; V310-R762 VanDerWaalsContact O-NH2 3.14Å; F311-R762 HydrophobicContact CB-CG 4.39Å; F311-R762 PolarHBondContact O-NH2 3.07Å; K313-R762 PolarHBondContact O-NH2 3.42Å; I759-R762 PolarHBondContact O-N 3.48Å; E760-R762 PolarHBondContact O-N 3.29Å; R762-K766 WeakPolarHBondContact O-CB 3.3Å; R762-K766 PolarHBondContact O-N 3Å
763	L	87.2	Confident	89	Confident	9 Å²	9	24.1 Å²	24.1	5%	0.047	12%	0.119	C	C	.	.	H	α-helix	trans	-71.1	-45	177.3	-165.4	129.9	0	0	0	111.3	Y308 N676 E680 I681 I759 E760 K766 K767	Y308-L763 HydrophobicContact CE1-CB 4.46Å; N676-L763 WeakPolarHBondContact OD1-CD1 3.14Å; E680-L763 HydrophobicContact CB-CD2 4.04Å; E680-L763 HydrophobicContact CG-CD2 3.6Å; E680-L763 WeakPolarHBondContact OE2-CD2 3.48Å; I681-L763 HydrophobicContact CD1-CD1 3.62Å; I681-L763 HydrophobicContact CG1-CD1 3.63Å; I759-L763 PolarHBondContact O-N 2.71Å; E760-L763 PolarHBondContact O-N 2.59Å; L763-K766 PolarHBondContact O-N 3.07Å; L763-K767 WeakPolarHBondContact O-CB 3.15Å; L763-K767 PolarHBondContact O-N 2.52Å
764	D	88.6	Confident	89	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-54.8	-53.6	168.1	-101.4	-32.7	0	0	0	110.9	Y331 F332 E760 K766 K767 F768	Y331-D764 VanDerWaalsContact CE1-OD2 3.26Å; Y331-D764 WeakPolarHBondContact CE1-OD2 3.12Å; Y331-D764 VanDerWaalsContact CZ-OD2 3.31Å; Y331-D764 PolarHBondContact OH-OD2 3.29Å; F332-D764 HydrophobicContact CE1-CB 3.67Å; F332-D764 HydrophobicContact CZ-CB 3.83Å; E760-D764 WeakPolarHBondContact O-CB 3.4Å; E760-D764 PolarHBondContact O-N 3.46Å; D764-K766 PolarHBondContact O-N 3.05Å; D764-K767 WeakPolarHBondContact O-CB 3.28Å; D764-K767 PolarHBondContact O-N 2.86Å; D764-K767 VanDerWaalsContact O-N 3.1Å; D764-K767 WeakPolarHBondContact OD1-CE 3.27Å; D764-K767 IonicContact OD1-NZ 2.72Å; D764-K767 PolarHBondContact OD1-NZ 3.09Å; D764-F768 VanDerWaalsContact O-CD2 3.26Å; D764-F768 WeakPolarHBondContact O-CD2 3.32Å; D764-F768 PolarHBondContact O-N 3.05Å
765	A	91.2	Very high	89	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-53.2	-41	178.5	0	0	0	0	0	112	W305 A306 I761 V769	W305-A765 HydrophobicContact CD2-CB 3.64Å; W305-A765 VanDerWaalsContact CE2-CB 3.5Å; W305-A765 HydrophobicContact CE3-CB 3.77Å; W305-A765 HydrophobicContact CG-CB 4.37Å; W305-A765 HydrophobicContact CH2-CB 3.68Å; W305-A765 HydrophobicContact CZ2-CB 3.54Å; W305-A765 HydrophobicContact CZ3-CB 3.78Å; A306-A765 HydrophobicContact CB-CB 3.95Å; I761-A765 WeakPolarHBondContact O-CB 3.45Å; I761-A765 PolarHBondContact O-N 3.36Å; I761-A765 VanDerWaalsContact O-N 3.15Å; A765-V769 WeakPolarHBondContact O-CB 3.49Å; A765-V769 VanDerWaalsContact O-CG2 3.25Å; A765-V769 WeakPolarHBondContact O-CG2 3.34Å; A765-V769 PolarHBondContact O-N 3.25Å
766	K	88.6	Confident	88.9	Confident	51 Å²	51	21 Å²	21	22%	0.222	10%	0.104	C	C	.	.	H	α-helix	trans	-71.2	-40.5	177.6	-171.1	161.8	-176.2	146.3	0	113.5	Y302 A306 Y308 R762 L763 D764 V769 T770	Y302-K766 PolarHBondContact OH-NZ 3.3Å; Y302-K766 VanDerWaalsContact OH-NZ 3.11Å; A306-K766 HydrophobicContact CB-CB 4.4Å; Y308-K766 HydrophobicContact CE2-CD 4.29Å; R762-K766 WeakPolarHBondContact O-CB 3.3Å; R762-K766 PolarHBondContact O-N 3Å; L763-K766 PolarHBondContact O-N 3.07Å; D764-K766 PolarHBondContact O-N 3.05Å; K766-V769 PolarHBondContact O-N 3.17Å; K766-T770 HydrophobicContact CG-CG2 4.43Å; K766-T770 PolarHBondContact O-N 3.21Å; K766-T770 PolarHBondContact O-OG1 2.96Å
767	K	87.9	Confident	89	Confident	26 Å²	26	20.7 Å²	20.7	11%	0.113	10%	0.103	C	C	.	.	I	π-helix	trans	-55.2	-50.3	171.4	176.9	-179.4	62.2	-174.6	0	110.4	E680 E728 L763 D764 E771 L772	E680-K767 HydrophobicContact CG-CD 4.28Å; E680-K767 VanDerWaalsContact OE1-CD 3.27Å; E680-K767 WeakPolarHBondContact OE1-CD 3.27Å; E680-K767 WeakPolarHBondContact OE1-CE 3.26Å; E680-K767 IonicContact OE1-NZ 3.16Å; E680-K767 PolarHBondContact OE1-NZ 3.28Å; E728-K767 IonicContact OE1-NZ 3.94Å; E728-K767 PolarHBondContact OE1-NZ 3.35Å; L763-K767 WeakPolarHBondContact O-CB 3.15Å; L763-K767 PolarHBondContact O-N 2.52Å; D764-K767 WeakPolarHBondContact O-CB 3.28Å; D764-K767 PolarHBondContact O-N 2.86Å; D764-K767 VanDerWaalsContact O-N 3.1Å; D764-K767 WeakPolarHBondContact OD1-CE 3.27Å; D764-K767 IonicContact OD1-NZ 2.72Å; D764-K767 PolarHBondContact OD1-NZ 3.09Å; K767-E771 PolarHBondContact O-N 3.4Å; K767-E771 VanDerWaalsContact O-N 3.1Å; K767-L772 HydrophobicContact CD-CD1 4.4Å; K767-L772 HydrophobicContact CG-CD1 3.84Å; K767-L772 HydrophobicContact CG-CG 3.99Å; K767-L772 PolarHBondContact O-N 3.29Å
768	F	90	Very high	88.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-66.3	-35.6	178.1	-82.2	-77.4	0	0	0	114.6	F324 I328 F332 F722 L725 D764 L772	F324-F768 HydrophobicContact CE1-CB 4.39Å; F324-F768 HydrophobicContact CZ-CB 4.03Å; F324-F768 WeakPolarHBondContact CZ-O 3.31Å; I328-F768 HydrophobicContact CD1-CD1 4.48Å; I328-F768 HydrophobicContact CD1-CE1 4.04Å; F332-F768 HydrophobicContact CE2-CD2 4.03Å; F332-F768 HydrophobicContact CE2-CE2 4.29Å; F332-F768 AromaticContact CZ-CD2 3.77Å; F332-F768 HydrophobicContact CZ-CD2 3.77Å; F332-F768 HydrophobicContact CZ-CE2 4.13Å; F722-F768 AromaticContact CD2-CE1 3.93Å; F722-F768 HydrophobicContact CD2-CE1 3.93Å; F722-F768 HydrophobicContact CD2-CZ 4.44Å; F722-F768 AromaticContact CE2-CE1 3.54Å; F722-F768 HydrophobicContact CE2-CE1 3.54Å; F722-F768 AromaticContact CE2-CZ 3.78Å; F722-F768 HydrophobicContact CE2-CZ 3.78Å; F722-F768 HydrophobicContact CZ-CE1 4.35Å; L725-F768 HydrophobicContact CD2-CE1 4.38Å; L725-F768 HydrophobicContact CD2-CE2 4.4Å; L725-F768 HydrophobicContact CD2-CZ 3.59Å; D764-F768 VanDerWaalsContact O-CD2 3.26Å; D764-F768 WeakPolarHBondContact O-CD2 3.32Å; D764-F768 PolarHBondContact O-N 3.05Å; F768-L772 HydrophobicContact CD1-CD1 4.02Å; F768-L772 HydrophobicContact CE1-CD1 4.08Å; F768-L772 HydrophobicContact CG-CD1 4.38Å; F768-L772 HydrophobicContact CZ-CD1 4.47Å
769	V	90.4	Very high	88.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-85.5	-33.3	-177.1	173.5	0	0	0	0	113	R298 L301 Y302 W305 A306 F324 A765 K766	R298-V769 HydrophobicContact CG-CG1 4.14Å; R298-V769 VanDerWaalsContact CZ-O 3.3Å; R298-V769 PolarHBondContact NE-O 3.12Å; R298-V769 PolarHBondContact NH2-O 3.05Å; L301-V769 HydrophobicContact CB-CG2 4.33Å; Y302-V769 HydrophobicContact CD2-CG1 4.03Å; Y302-V769 HydrophobicContact CG-CG1 4.48Å; W305-V769 HydrophobicContact CE3-CG2 4.38Å; W305-V769 HydrophobicContact CZ3-CG2 4.09Å; A306-V769 HydrophobicContact CB-CB 4.27Å; A306-V769 HydrophobicContact CB-CG2 4.2Å; F324-V769 HydrophobicContact CE2-CG2 4.24Å; F324-V769 HydrophobicContact CZ-CG2 4.13Å; A765-V769 WeakPolarHBondContact O-CB 3.49Å; A765-V769 VanDerWaalsContact O-CG2 3.25Å; A765-V769 WeakPolarHBondContact O-CG2 3.34Å; A765-V769 PolarHBondContact O-N 3.25Å; K766-V769 PolarHBondContact O-N 3.17Å
770	T	86.2	Confident	88.2	Confident	18 Å²	18	20.9 Å²	20.9	11%	0.11	11%	0.106	C	C	.	.	I	π-helix	trans	-117.1	-27.2	-170.1	68.7	0	0	0	0	116.6	Y288 Y302 K766	Y288-T770 HydrophobicContact CD1-CG2 4.15Å; Y288-T770 HydrophobicContact CD2-CG2 3.81Å; Y288-T770 HydrophobicContact CE1-CG2 4.1Å; Y288-T770 HydrophobicContact CE2-CG2 3.78Å; Y288-T770 HydrophobicContact CG-CG2 4.05Å; Y302-T770 HydrophobicContact CD2-CG2 3.8Å; Y302-T770 HydrophobicContact CE2-CG2 3.66Å; K766-T770 HydrophobicContact CG-CG2 4.43Å; K766-T770 PolarHBondContact O-N 3.21Å; K766-T770 PolarHBondContact O-OG1 2.96Å
771	E	85	Confident	88	Confident	48 Å²	48	23 Å²	23	22%	0.224	12%	0.115	C	C	.	.	I	π-helix	trans	-111.6	-30.6	-168.8	-54.7	-157.9	157.3	0	0	114	P684 E720 K767	P684-E771 WeakPolarHBondContact CB-OE2 3.48Å; P684-E771 WeakPolarHBondContact CG-OE2 3.35Å; E720-E771 PolarHBondContact N-O 3.21Å; K767-E771 PolarHBondContact O-N 3.4Å; K767-E771 VanDerWaalsContact O-N 3.1Å
772	L	88.3	Confident	87.9	Confident	22 Å²	22	25.6 Å²	25.6	12%	0.115	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-91.2	149.6	177.9	-63.7	177.7	0	0	0	112.4	H284 E720 F722 K767 F768	H284-L772 PolarHBondContact NE2-O 2.98Å; E720-L772 HydrophobicContact CB-CD2 4.4Å; F722-L772 HydrophobicContact CD2-CD1 4.2Å; K767-L772 HydrophobicContact CD-CD1 4.4Å; K767-L772 HydrophobicContact CG-CD1 3.84Å; K767-L772 HydrophobicContact CG-CG 3.99Å; K767-L772 PolarHBondContact O-N 3.29Å; F768-L772 HydrophobicContact CD1-CD1 4.02Å; F768-L772 HydrophobicContact CE1-CD1 4.08Å; F768-L772 HydrophobicContact CG-CD1 4.38Å; F768-L772 HydrophobicContact CZ-CD1 4.47Å
773	R	90.2	Very high	87.9	Confident	27 Å²	27	25.6 Å²	25.6	10%	0.102	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-65.3	147.3	162.5	-65.6	-179.8	-164.1	-178.6	2.2	110.6	D716 Y717 L719 E720 P775	D716-R773 VanDerWaalsContact O-CG 3.31Å; D716-R773 WeakPolarHBondContact O-CG 3.24Å; D716-R773 PolarHBondContact O-NE 3.49Å; Y717-R773 PolarHBondContact O-NH2 3.04Å; L719-R773 HydrophobicContact CB-CG 3.73Å; L719-R773 PolarHBondContact O-NE 3.5Å; L719-R773 PolarHBondContact O-NH2 3.5Å; E720-R773 WeakPolarHBondContact O-CG 3.31Å; E720-R773 PolarHBondContact O-N 3.27Å; R773-P775 WeakPolarHBondContact O-CD 3.42Å; R773-P775 VanDerWaalsContact O-N 3.15Å
774	R	91.6	Very high	87.9	Confident	10 Å²	10	26.6 Å²	26.6	4%	0.038	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-53.8	118.5	174.5	-168.4	179	-173	167	6	110.6	S243 P282 L283 H284 D285 Y323	S243-R774 PolarHBondContact OG-NH1 3.39Å; S243-R774 PolarHBondContact OG-NH2 2.84Å; S243-R774 VanDerWaalsContact OG-NH2 3.08Å; P282-R774 WeakPolarHBondContact CD-O 3.49Å; P282-R774 HydrophobicContact CG-CB 4.26Å; P282-R774 HydrophobicContact CG-CG 4.19Å; P282-R774 WeakPolarHBondContact CG-O 3.38Å; L283-R774 WeakPolarHBondContact O-CD 3.38Å; L283-R774 PolarHBondContact O-NH1 3.17Å; H284-R774 PolarHBondContact NE2-N 3.1Å; D285-R774 IonicContact OD2-CZ 3.88Å; D285-R774 IonicContact OD2-NH1 3.46Å; D285-R774 PolarHBondContact OD2-NH1 2.79Å; D285-R774 IonicContact OD2-NH2 3.77Å; Y323-R774 PolarHBondContact O-NE 3Å; Y323-R774 PolarHBondContact O-NH2 2.89Å
775	P	91.6	Very high	88	Confident	10 Å²	10	28.4 Å²	28.4	7%	0.065	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-72.1	153.3	173.6	29.4	-33.1	0	0	0	110.6	F324 I328 F722 R773	F324-P775 HydrophobicContact CD1-CG 4.01Å; I328-P775 HydrophobicContact CD1-CB 4.06Å; I328-P775 HydrophobicContact CD1-CG 3.31Å; F722-P775 HydrophobicContact CB-CB 4.23Å; F722-P775 HydrophobicContact CD1-CB 3.56Å; F722-P775 HydrophobicContact CE1-CB 3.97Å; F722-P775 HydrophobicContact CG-CB 3.91Å; R773-P775 WeakPolarHBondContact O-CD 3.42Å; R773-P775 VanDerWaalsContact O-N 3.15Å
776	V	88.7	Confident	88.2	Confident	29 Å²	29	28.8 Å²	28.8	18%	0.176	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-71	132.1	168.9	-172.9	0	0	0	0	108.9	Y64 Y251 P282 V778	Y64-V776 HydrophobicContact CE2-CG2 3.96Å; Y64-V776 VanDerWaalsContact OH-CG2 3.25Å; Y64-V776 WeakPolarHBondContact OH-CG2 3.44Å; Y251-V776 HydrophobicContact CD1-CB 4.3Å; Y251-V776 HydrophobicContact CD1-CG1 3.61Å; Y251-V776 HydrophobicContact CD1-CG2 4.4Å; Y251-V776 HydrophobicContact CD2-CG2 4.16Å; Y251-V776 HydrophobicContact CE1-CB 4.49Å; Y251-V776 HydrophobicContact CE1-CG1 4.23Å; Y251-V776 HydrophobicContact CE2-CG2 4.4Å; Y251-V776 HydrophobicContact CG-CB 4.49Å; Y251-V776 HydrophobicContact CG-CG1 3.8Å; Y251-V776 HydrophobicContact CG-CG2 4.16Å; P282-V776 HydrophobicContact CG-CG2 4.28Å; V776-V778 PolarHBondContact O-N 3.43Å
777	A	88.4	Confident	88.4	Confident	9 Å²	9	28.5 Å²	28.5	7%	0.074	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-67.8	124.8	177.9	0	0	0	0	0	111.3	K244 T248	K244-A777 HydrophobicContact CD-CB 3.7Å; K244-A777 HydrophobicContact CG-CB 3.42Å; K244-A777 VanDerWaalsContact CG-CB 3.42Å; T248-A777 PolarHBondContact OG1-O 3.04Å
778	V	83.9	Confident	88.7	Confident	72 Å²	72	32.1 Å²	32.1	44%	0.436	17%	0.171	S	C	.	.			trans	-112.7	127	175	179.5	0	0	0	0	108.4	K327 V776	K327-V778 HydrophobicContact CB-CB 4.32Å; K327-V778 WeakPolarHBondContact CB-O 3.17Å; K327-V778 HydrophobicContact CD-CB 4.28Å; K327-V778 HydrophobicContact CD-CG1 4.36Å; K327-V778 PolarHBondContact N-O 3.24Å; K327-V778 VanDerWaalsContact N-O 3.1Å; V776-V778 PolarHBondContact O-N 3.43Å
779	R	82.9	Confident	88.9	Confident	67 Å²	67	32.7 Å²	32.7	25%	0.253	17%	0.174	S	C	.	.			trans	-67.7	126.9	171.3	-66.2	-167	-79.5	166.2	-6.3	109	L172 L440 F443 E446	L172-R779 PolarHBondContact O-NH2 3.08Å; L172-R779 VanDerWaalsContact O-NH2 3.12Å; L440-R779 HydrophobicContact CD2-CB 4.49Å; F443-R779 HydrophobicContact CE2-CB 3.93Å; F443-R779 HydrophobicContact CZ-CB 4.09Å; E446-R779 IonicContact OE2-NH1 2.64Å; E446-R779 PolarHBondContact OE2-NH1 3.27Å; E446-R779 VanDerWaalsContact OE2-NH1 3.11Å
780	A	83.4	Confident	89.1	Confident	17 Å²	17	32.7 Å²	32.7	14%	0.14	17%	0.174	C	C	.	.			trans	-145	129.2	177.4	0	0	0	0	0	110.5	K327 L440	K327-A780 HydrophobicContact CB-CB 3.94Å; K327-A780 HydrophobicContact CG-CB 4.18Å; L440-A780 WeakPolarHBondContact CD1-O 3.4Å
781	K	84.2	Confident	89.3	Confident	49 Å²	49	36.6 Å²	36.6	21%	0.213	19%	0.187	C	C	.	.	S	Bend	trans	-86.3	-19.8	-178.1	75.2	-176.1	-170.5	180	0	113.8	N435 E444	N435-K781 PolarHBondContact ND2-O 3.26Å; N435-K781 PolarHBondContact OD1-O 2.95Å; N435-K781 VanDerWaalsContact OD1-O 3.06Å; E444-K781 HydrophobicContact CG-CD 4.17Å; E444-K781 IonicContact OE1-NZ 3.21Å; E444-K781 PolarHBondContact OE1-NZ 3.06Å; E444-K781 IonicContact OE2-NZ 3.02Å
782	D	88.6	Confident	89.7	Confident	62 Å²	62	36.2 Å²	36.2	33%	0.332	20%	0.196	S	C	.	.	S	Bend	trans	-151.7	168.6	-171.1	56.7	23.7	0	0	0	110.7	L330 G784	L330-D782 WeakPolarHBondContact CD2-O 3.34Å; D782-G784 PolarHBondContact O-N 2.6Å; D782-G784 PolarHBondContact OD1-N 3.31Å
783	I	88.9	Confident	90	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.051	19%	0.192	C	C	.	.			trans	-77.7	5.7	172.3	65.5	175.7	0	0	0	112.3	L330 W427 Y729 W786 L790	L330-I783 HydrophobicContact CD2-CG2 3.99Å; L330-I783 HydrophobicContact CG-CG2 4.19Å; W427-I783 HydrophobicContact CZ2-CG2 3.85Å; Y729-I783 HydrophobicContact CE1-CB 4.35Å; Y729-I783 HydrophobicContact CE1-CG2 4.17Å; Y729-I783 WeakPolarHBondContact OH-CG2 3.39Å; I783-W786 HydrophobicContact CB-CB 4.43Å; I783-W786 HydrophobicContact CD1-CB 4.07Å; I783-W786 HydrophobicContact CG1-CB 4.2Å; I783-L790 HydrophobicContact CD1-CD1 4.21Å
784	G	88.1	Confident	90.2	Very high	30 Å²	30	34.9 Å²	34.9	31%	0.309	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-137.2	-177	0	0	0	0	0	114.1	D782 W786 Y787	D782-G784 PolarHBondContact O-N 2.6Å; D782-G784 PolarHBondContact OD1-N 3.31Å; G784-W786 PolarHBondContact O-N 3.04Å; G784-Y787 PolarHBondContact O-N 3.36Å
785	I	90.8	Very high	90.1	Very high	39 Å²	39	37.5 Å²	37.5	20%	0.2	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-24.1	-173.6	-168.7	61.1	0	0	0	114.3	E604 I607 Y787 N788 I789	E604-I785 HydrophobicContact CG-CB 4.47Å; I607-I785 HydrophobicContact CB-CG2 4.02Å; I607-I785 HydrophobicContact CD1-CG2 3.82Å; I607-I785 HydrophobicContact CG2-CG2 3.59Å; I785-Y787 VanDerWaalsContact C-N 3.26Å; I785-Y787 PolarHBondContact O-N 2.95Å; I785-N788 HydrophobicContact CD1-CB 4.26Å; I785-N788 PolarHBondContact O-N 3.38Å; I785-N788 VanDerWaalsContact O-N 3.09Å; I785-I789 HydrophobicContact CG1-CD1 4.29Å; I785-I789 PolarHBondContact O-N 3.34Å; I785-I789 VanDerWaalsContact O-N 3.14Å
786	W	93.9	Very high	90.2	Very high	9 Å²	9	40 Å²	40	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-33	179.5	-63.4	121.8	0	0	0	113.3	I607 Y729 M730 I733 I783 G784 N788 I789 L790	I607-W786 HydrophobicContact CB-CZ2 4.37Å; I607-W786 HydrophobicContact CD1-CZ2 4.16Å; I607-W786 HydrophobicContact CG1-CZ2 3.93Å; I607-W786 HydrophobicContact CG2-CD2 4.05Å; I607-W786 HydrophobicContact CG2-CE3 3.97Å; I607-W786 HydrophobicContact CG2-CH2 3.53Å; I607-W786 HydrophobicContact CG2-CZ2 3.55Å; I607-W786 HydrophobicContact CG2-CZ3 3.73Å; Y729-W786 HydrophobicContact CD1-CG 4.28Å; Y729-W786 AromaticContact CD2-CD1 3.9Å; Y729-W786 AromaticContact CD2-NE1 3.61Å; Y729-W786 AromaticContact CG-CD1 3.75Å; Y729-W786 HydrophobicContact CG-CD2 4.35Å; Y729-W786 AromaticContact CG-CE2 3.96Å; Y729-W786 HydrophobicContact CG-CG 4.23Å; Y729-W786 AromaticContact CG-NE1 3.59Å; M730-W786 HydrophobicContact CB-CH2 3.94Å; M730-W786 HydrophobicContact CE-CH2 3.72Å; M730-W786 HydrophobicContact CE-CZ3 4.34Å; M730-W786 HydrophobicContact SD-CH2 3.83Å; M730-W786 HydrophobicContact SD-CZ3 4Å; I733-W786 HydrophobicContact CB-CE3 4.45Å; I733-W786 HydrophobicContact CB-CZ3 4.34Å; I733-W786 HydrophobicContact CD1-CB 4.35Å; I733-W786 HydrophobicContact CD1-CE3 4.03Å; I733-W786 HydrophobicContact CG1-CD2 4.41Å; I733-W786 HydrophobicContact CG1-CE3 3.67Å; I733-W786 HydrophobicContact CG1-CZ3 3.96Å; I733-W786 HydrophobicContact CG2-CE3 4.49Å; I733-W786 HydrophobicContact CG2-CZ3 4.43Å; I783-W786 HydrophobicContact CB-CB 4.43Å; I783-W786 HydrophobicContact CD1-CB 4.07Å; I783-W786 HydrophobicContact CG1-CB 4.2Å; G784-W786 PolarHBondContact O-N 3.04Å; W786-N788 PolarHBondContact O-N 2.89Å; W786-I789 HydrophobicContact CE3-CD1 3.83Å; W786-I789 HydrophobicContact CZ3-CD1 4.14Å; W786-I789 PolarHBondContact O-N 3.11Å; W786-L790 WeakPolarHBondContact O-CB 3.35Å; W786-L790 WeakPolarHBondContact O-CG 3.29Å; W786-L790 PolarHBondContact O-N 3.28Å
787	Y	93.5	Very high	90.6	Very high	45 Å²	45	39 Å²	39	18%	0.176	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-41.7	175.1	179.5	-101.4	0	0	0	112.1	M424 K428 G784 I785 I789 L790 R791	M424-Y787 HydrophobicContact CB-CE2 4.32Å; K428-Y787 HydrophobicContact CD-CE2 4.43Å; K428-Y787 VanDerWaalsContact CD-OH 3.32Å; K428-Y787 WeakPolarHBondContact CD-OH 3.32Å; K428-Y787 WeakPolarHBondContact CE-OH 3.45Å; K428-Y787 HydrophobicContact CG-CE2 4.01Å; G784-Y787 PolarHBondContact O-N 3.36Å; I785-Y787 VanDerWaalsContact C-N 3.26Å; I785-Y787 PolarHBondContact O-N 2.95Å; Y787-I789 VanDerWaalsContact C-N 3.35Å; Y787-L790 PolarHBondContact O-N 3.2Å; Y787-R791 WeakPolarHBondContact O-CB 2.94Å; Y787-R791 PolarHBondContact O-N 3.42Å
788	N	93.3	Very high	90.9	Very high	101 Å²	101	38.8 Å²	38.8	54%	0.54	21%	0.211	S	C	.	.	H	α-helix	trans	-67.9	-37.1	178.1	-65.3	-33	0	0	0	111.6	I785 W786 G792	I785-N788 HydrophobicContact CD1-CB 4.26Å; I785-N788 PolarHBondContact O-N 3.38Å; I785-N788 VanDerWaalsContact O-N 3.09Å; W786-N788 PolarHBondContact O-N 2.89Å; N788-G792 PolarHBondContact O-N 3.15Å
789	I	94.8	Very high	91.4	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-48.4	174.3	-66	169.2	0	0	0	110.4	I607 F611 I733 I785 W786 Y787 R791 G792 I793	I607-I789 HydrophobicContact CG2-CD1 3.94Å; F611-I789 HydrophobicContact CB-CD1 4.34Å; F611-I789 HydrophobicContact CD1-CD1 4.29Å; F611-I789 HydrophobicContact CD1-CG1 4.42Å; F611-I789 HydrophobicContact CD1-CG2 4.03Å; F611-I789 HydrophobicContact CD2-CG2 3.92Å; F611-I789 HydrophobicContact CE1-CG2 3.73Å; F611-I789 HydrophobicContact CE2-CG2 3.61Å; F611-I789 HydrophobicContact CG-CD1 4.18Å; F611-I789 HydrophobicContact CG-CG2 4.13Å; F611-I789 HydrophobicContact CZ-CG2 3.51Å; I733-I789 HydrophobicContact CG2-CG2 3.75Å; I785-I789 HydrophobicContact CG1-CD1 4.29Å; I785-I789 PolarHBondContact O-N 3.34Å; I785-I789 VanDerWaalsContact O-N 3.14Å; W786-I789 HydrophobicContact CE3-CD1 3.83Å; W786-I789 HydrophobicContact CZ3-CD1 4.14Å; W786-I789 PolarHBondContact O-N 3.11Å; Y787-I789 VanDerWaalsContact C-N 3.35Å; I789-R791 PolarHBondContact O-N 2.99Å; I789-G792 PolarHBondContact O-N 2.72Å; I789-G792 VanDerWaalsContact O-N 3.16Å; I789-I793 HydrophobicContact CG2-CD1 3.9Å; I789-I793 HydrophobicContact CG2-CG1 4.45Å; I789-I793 WeakPolarHBondContact O-CG1 3.17Å; I789-I793 PolarHBondContact O-N 3.36Å
790	L	94.1	Very high	92	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-55.6	-48.6	175.4	-82.6	172.6	0	0	0	112.5	W334 M424 I733 F736 I783 W786 Y787 G792 I793 G794	W334-L790 HydrophobicContact CZ2-CD1 3.91Å; W334-L790 HydrophobicContact CZ2-CD2 4.43Å; M424-L790 HydrophobicContact CE-CB 3.72Å; M424-L790 HydrophobicContact CE-CD2 4.28Å; M424-L790 HydrophobicContact CE-CG 4.44Å; M424-L790 HydrophobicContact SD-CB 3.94Å; M424-L790 HydrophobicContact SD-CD1 4.46Å; I733-L790 HydrophobicContact CD1-CD1 3.96Å; I733-L790 HydrophobicContact CD1-CD2 3.58Å; I733-L790 HydrophobicContact CD1-CG 3.44Å; I733-L790 VanDerWaalsContact CD1-CG 3.44Å; F736-L790 HydrophobicContact CB-CD2 4.24Å; F736-L790 HydrophobicContact CD1-CD2 3.47Å; F736-L790 VanDerWaalsContact CD1-CD2 3.47Å; F736-L790 HydrophobicContact CD2-CD2 4.19Å; F736-L790 HydrophobicContact CE1-CD2 3.78Å; F736-L790 HydrophobicContact CE2-CD2 4.46Å; F736-L790 HydrophobicContact CG-CD2 3.7Å; F736-L790 HydrophobicContact CZ-CD2 4.28Å; I783-L790 HydrophobicContact CD1-CD1 4.21Å; W786-L790 WeakPolarHBondContact O-CB 3.35Å; W786-L790 WeakPolarHBondContact O-CG 3.29Å; W786-L790 PolarHBondContact O-N 3.28Å; Y787-L790 PolarHBondContact O-N 3.2Å; L790-G792 VanDerWaalsContact C-N 3.3Å; L790-G792 PolarHBondContact O-N 3.48Å; L790-I793 PolarHBondContact O-N 3.22Å; L790-G794 PolarHBondContact O-N 2.99Å
791	R	92.3	Very high	92.5	Very high	99 Å²	99	35.1 Å²	35.1	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-63.2	-36.8	177.4	-168.4	174.2	-170.8	-102.7	3.8	112	Y787 I789 K795 D909	Y787-R791 WeakPolarHBondContact O-CB 2.94Å; Y787-R791 PolarHBondContact O-N 3.42Å; I789-R791 PolarHBondContact O-N 2.99Å; R791-K795 PolarHBondContact O-N 2.84Å; R791-K795 VanDerWaalsContact O-N 3.13Å; R791-D909 IonicContact NH2-OD2 2.7Å; R791-D909 PolarHBondContact NH2-OD2 3.11Å
792	G	93.1	Very high	93	Very high	41 Å²	41	32.8 Å²	32.8	42%	0.423	18%	0.181	S	C	.	.	H	α-helix	trans	-63.6	-48.8	173.7	0	0	0	0	0	112.9	N788 I789 L790 G794 K795 L796	N788-G792 PolarHBondContact O-N 3.15Å; I789-G792 PolarHBondContact O-N 2.72Å; I789-G792 VanDerWaalsContact O-N 3.16Å; L790-G792 VanDerWaalsContact C-N 3.3Å; L790-G792 PolarHBondContact O-N 3.48Å; G792-G794 VanDerWaalsContact C-N 3.35Å; G792-G794 PolarHBondContact O-N 2.04Å; G792-K795 PolarHBondContact O-N 3.43Å; G792-L796 WeakPolarHBondContact O-CB 3.43Å; G792-L796 PolarHBondContact O-N 3.19Å
793	I	94.6	Very high	93.2	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-43.6	175.7	-64.7	168.2	0	0	0	110.5	F611 I733 F736 L741 I789 L790 K795 L796 A797	F611-I793 HydrophobicContact CE2-CD1 3.93Å; F611-I793 HydrophobicContact CZ-CD1 3.83Å; F611-I793 HydrophobicContact CZ-CG1 4.12Å; I733-I793 HydrophobicContact CG2-CD1 3.79Å; F736-I793 HydrophobicContact CD1-CB 4.37Å; F736-I793 HydrophobicContact CD1-CG2 3.92Å; F736-I793 HydrophobicContact CE1-CB 4.23Å; F736-I793 HydrophobicContact CE1-CG2 3.94Å; L741-I793 HydrophobicContact CD2-CG2 4.28Å; L741-I793 HydrophobicContact CG-CG2 4.36Å; I789-I793 HydrophobicContact CG2-CD1 3.9Å; I789-I793 HydrophobicContact CG2-CG1 4.45Å; I789-I793 WeakPolarHBondContact O-CG1 3.17Å; I789-I793 PolarHBondContact O-N 3.36Å; L790-I793 PolarHBondContact O-N 3.22Å; I793-K795 PolarHBondContact O-N 2.86Å; I793-L796 CarbonylContact O-C 3.54Å; I793-L796 PolarHBondContact O-N 2.85Å; I793-A797 WeakPolarHBondContact O-CB 3.26Å; I793-A797 PolarHBondContact O-N 2.9Å
794	G	92.8	Very high	93.4	Very high	16 Å²	16	32.7 Å²	32.7	17%	0.165	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-43.7	178.8	0	0	0	0	0	113.4	L790 G792 A797	L790-G794 PolarHBondContact O-N 2.99Å; G792-G794 VanDerWaalsContact C-N 3.35Å; G792-G794 PolarHBondContact O-N 2.04Å; G794-A797 WeakPolarHBondContact O-CB 3.5Å; G794-A797 PolarHBondContact O-N 3.39Å
795	K	91.3	Very high	93.6	Very high	65 Å²	65	31.4 Å²	31.4	28%	0.283	16%	0.163	S	C	.	.	H	α-helix	trans	-71.7	-34.2	174.7	-73.2	-176.5	178.2	-84.8	0	112.5	R791 G792 I793 A797 V798 M902 D906	R791-K795 PolarHBondContact O-N 2.84Å; R791-K795 VanDerWaalsContact O-N 3.13Å; G792-K795 PolarHBondContact O-N 3.43Å; I793-K795 PolarHBondContact O-N 2.86Å; K795-A797 VanDerWaalsContact C-N 3.32Å; K795-A797 PolarHBondContact O-N 3.48Å; K795-V798 PolarHBondContact O-N 2.8Å; K795-M902 HydrophobicContact CB-SD 4.47Å; K795-M902 HydrophobicContact CD-CE 4.37Å; K795-M902 HydrophobicContact CG-CE 4.48Å; K795-M902 HydrophobicContact CG-SD 4.33Å; K795-D906 IonicContact NZ-OD1 2.69Å; K795-D906 PolarHBondContact NZ-OD1 3.37Å; K795-D906 IonicContact NZ-OD2 2.7Å; K795-D906 PolarHBondContact NZ-OD2 2.9Å
796	L	93.7	Very high	93.7	Very high	63 Å²	63	29.6 Å²	29.6	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-65.9	-32.8	173	-176.1	62.6	0	0	0	112.3	F615 L741 G792 I793 V798 I799 I800	F615-L796 HydrophobicContact CZ-CD2 3.83Å; L741-L796 HydrophobicContact CD2-CB 4.26Å; L741-L796 HydrophobicContact CD2-CD2 4.22Å; L741-L796 HydrophobicContact CD2-CG 4.01Å; G792-L796 WeakPolarHBondContact O-CB 3.43Å; G792-L796 PolarHBondContact O-N 3.19Å; I793-L796 CarbonylContact O-C 3.54Å; I793-L796 PolarHBondContact O-N 2.85Å; L796-V798 VanDerWaalsContact C-N 3.31Å; L796-V798 PolarHBondContact O-N 3.44Å; L796-I799 HydrophobicContact CD1-CG2 3.93Å; L796-I799 WeakPolarHBondContact O-CG2 3.41Å; L796-I799 PolarHBondContact O-N 2.84Å; L796-I800 HydrophobicContact CD1-CD1 4.38Å; L796-I800 HydrophobicContact CD1-CG1 4.13Å; L796-I800 HydrophobicContact CG-CG1 4.09Å; L796-I800 WeakPolarHBondContact O-CG1 3.2Å; L796-I800 PolarHBondContact O-N 2.86Å; L796-I800 VanDerWaalsContact O-N 3.08Å
797	A	95.4	Very high	93.5	Very high	6 Å²	6	30.9 Å²	30.9	5%	0.05	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-36.2	178.8	0	0	0	0	0	113	L741 I793 G794 K795 I799 N801	L741-A797 HydrophobicContact CD2-CB 4.05Å; I793-A797 WeakPolarHBondContact O-CB 3.26Å; I793-A797 PolarHBondContact O-N 2.9Å; G794-A797 WeakPolarHBondContact O-CB 3.5Å; G794-A797 PolarHBondContact O-N 3.39Å; K795-A797 VanDerWaalsContact C-N 3.32Å; K795-A797 PolarHBondContact O-N 3.48Å; A797-I799 PolarHBondContact O-N 2.92Å; A797-N801 WeakPolarHBondContact O-CB 3.06Å; A797-N801 PolarHBondContact O-N 3.44Å; A797-N801 PolarHBondContact O-ND2 2.84Å
798	V	95.1	Very high	93.2	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.03	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-47.6	179.5	-178.8	0	0	0	0	111.1	A417 K795 L796 A802 F897 V901 M902	A417-V798 HydrophobicContact CB-CG2 4.08Å; K795-V798 PolarHBondContact O-N 2.8Å; L796-V798 VanDerWaalsContact C-N 3.31Å; L796-V798 PolarHBondContact O-N 3.44Å; V798-A802 PolarHBondContact O-N 3.44Å; V798-A802 VanDerWaalsContact O-N 3.15Å; V798-F897 HydrophobicContact CG1-CE1 4.47Å; V798-V901 HydrophobicContact CB-CG1 4.43Å; V798-V901 HydrophobicContact CG1-CB 3.74Å; V798-V901 HydrophobicContact CG1-CG1 3.65Å; V798-V901 HydrophobicContact CG2-CG1 3.93Å; V798-M902 HydrophobicContact CB-SD 4.39Å; V798-M902 HydrophobicContact CG1-CG 4.1Å; V798-M902 HydrophobicContact CG2-SD 4.38Å
799	I	94.8	Very high	93	Very high	54 Å²	54	25 Å²	25	28%	0.277	13%	0.133	S	C	.	.	H	α-helix	trans	-70.8	-42.5	-179.7	-174.6	166.1	0	0	0	111.8	L796 A797 N801 A802 F803	L796-I799 HydrophobicContact CD1-CG2 3.93Å; L796-I799 WeakPolarHBondContact O-CG2 3.41Å; L796-I799 PolarHBondContact O-N 2.84Å; A797-I799 PolarHBondContact O-N 2.92Å; I799-N801 PolarHBondContact O-N 3.34Å; I799-A802 WeakPolarHBondContact O-CB 3.25Å; I799-A802 PolarHBondContact O-N 3.4Å; I799-F803 HydrophobicContact CD1-CE2 4Å; I799-F803 HydrophobicContact CG1-CD2 3.78Å; I799-F803 HydrophobicContact CG1-CE2 3.59Å; I799-F803 VanDerWaalsContact O-CD2 3.25Å; I799-F803 WeakPolarHBondContact O-CD2 3.18Å; I799-F803 PolarHBondContact O-N 3.45Å; I799-F803 VanDerWaalsContact O-N 3.07Å
800	I	94.8	Very high	92.6	Very high	21 Å²	21	26 Å²	26	11%	0.108	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178.3	-62.3	-56.1	0	0	0	111.4	F623 F627 L741 F742 L796 A802 F803 V804	F623-I800 HydrophobicContact CE1-CD1 3.86Å; F623-I800 HydrophobicContact CE1-CG1 4.18Å; F623-I800 HydrophobicContact CE1-CG2 4.05Å; F623-I800 HydrophobicContact CZ-CD1 4.45Å; F627-I800 HydrophobicContact CE2-CD1 4.32Å; F627-I800 HydrophobicContact CE2-CG2 4.35Å; F627-I800 HydrophobicContact CZ-CG2 4.05Å; L741-I800 HydrophobicContact CB-CG2 4.48Å; L741-I800 HydrophobicContact CD2-CG1 4.36Å; L741-I800 WeakPolarHBondContact O-CG2 3.31Å; F742-I800 HydrophobicContact CE1-CG2 4.22Å; L796-I800 HydrophobicContact CD1-CD1 4.38Å; L796-I800 HydrophobicContact CD1-CG1 4.13Å; L796-I800 HydrophobicContact CG-CG1 4.09Å; L796-I800 WeakPolarHBondContact O-CG1 3.2Å; L796-I800 PolarHBondContact O-N 2.86Å; L796-I800 VanDerWaalsContact O-N 3.08Å; I800-A802 VanDerWaalsContact C-N 3.33Å; I800-A802 PolarHBondContact O-N 2.89Å; I800-F803 PolarHBondContact O-N 3.45Å; I800-V804 HydrophobicContact CG2-CG2 4.38Å; I800-V804 WeakPolarHBondContact O-CG2 3.47Å; I800-V804 PolarHBondContact O-N 3.34Å
801	N	94	Very high	92.4	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-37.8	176.4	-75.8	-68	0	0	0	112.3	S413 T740 L741 V743 A744 A797 I799 F803 V804 I805	S413-N801 VanDerWaalsContact OG-CB 3.27Å; S413-N801 WeakPolarHBondContact OG-CB 3.32Å; T740-N801 PolarHBondContact O-ND2 3.22Å; L741-N801 PolarHBondContact O-OD1 3.14Å; V743-N801 PolarHBondContact N-OD1 2.99Å; A744-N801 HydrophobicContact CB-CB 4.21Å; A744-N801 VanDerWaalsContact CB-OD1 3.28Å; A744-N801 WeakPolarHBondContact CB-OD1 3.12Å; A744-N801 PolarHBondContact N-OD1 3.08Å; A797-N801 WeakPolarHBondContact O-CB 3.06Å; A797-N801 PolarHBondContact O-N 3.44Å; A797-N801 PolarHBondContact O-ND2 2.84Å; I799-N801 PolarHBondContact O-N 3.34Å; N801-F803 VanDerWaalsContact C-N 3.32Å; N801-F803 PolarHBondContact O-N 3.48Å; N801-V804 PolarHBondContact O-N 2.9Å; N801-I805 WeakPolarHBondContact O-CG1 3.33Å; N801-I805 PolarHBondContact O-N 2.96Å
802	A	94.8	Very high	92.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-43.7	174.2	0	0	0	0	0	111.8	V798 I799 I800 S806 V894 F897	V798-A802 PolarHBondContact O-N 3.44Å; V798-A802 VanDerWaalsContact O-N 3.15Å; I799-A802 WeakPolarHBondContact O-CB 3.25Å; I799-A802 PolarHBondContact O-N 3.4Å; I800-A802 VanDerWaalsContact C-N 3.33Å; I800-A802 PolarHBondContact O-N 2.89Å; A802-S806 WeakPolarHBondContact O-CB 3.38Å; A802-S806 PolarHBondContact O-N 2.99Å; A802-S806 PolarHBondContact O-OG 2.85Å; A802-V894 HydrophobicContact CB-CG1 4.2Å; A802-V894 HydrophobicContact CB-CG2 4.43Å; A802-F897 HydrophobicContact CB-CB 4.49Å; A802-F897 HydrophobicContact CB-CD1 3.6Å; A802-F897 HydrophobicContact CB-CE1 4.16Å; A802-F897 HydrophobicContact CB-CG 4.3Å
803	F	93.9	Very high	92.4	Very high	68 Å²	68	21.5 Å²	21.5	30%	0.298	11%	0.11	S	C	.	.	H	α-helix	trans	-66.4	-39	174.3	-81.5	-74.9	0	0	0	112.8	F627 I799 I800 N801 S806 F807 V894	F627-F803 HydrophobicContact CD1-CB 4.44Å; F627-F803 HydrophobicContact CE1-CB 3.59Å; F627-F803 HydrophobicContact CZ-CB 3.75Å; I799-F803 HydrophobicContact CD1-CE2 4Å; I799-F803 HydrophobicContact CG1-CD2 3.78Å; I799-F803 HydrophobicContact CG1-CE2 3.59Å; I799-F803 VanDerWaalsContact O-CD2 3.25Å; I799-F803 WeakPolarHBondContact O-CD2 3.18Å; I799-F803 PolarHBondContact O-N 3.45Å; I799-F803 VanDerWaalsContact O-N 3.07Å; I800-F803 PolarHBondContact O-N 3.45Å; N801-F803 VanDerWaalsContact C-N 3.32Å; N801-F803 PolarHBondContact O-N 3.48Å; F803-S806 WeakPolarHBondContact CA-OG 3.24Å; F803-S806 PolarHBondContact O-OG 3.48Å; F803-F807 AromaticContact CD1-CD2 3.6Å; F803-F807 HydrophobicContact CD1-CD2 3.6Å; F803-F807 AromaticContact CD1-CE2 3.62Å; F803-F807 HydrophobicContact CD1-CE2 3.62Å; F803-F807 HydrophobicContact CE1-CD2 4.26Å; F803-F807 AromaticContact CE1-CE2 3.78Å; F803-F807 HydrophobicContact CE1-CE2 3.78Å; F803-F807 WeakPolarHBondContact O-CB 3.09Å; F803-F807 PolarHBondContact O-N 2.87Å; F803-V894 HydrophobicContact CE2-CG1 4.25Å; F803-V894 HydrophobicContact CZ-CG1 4.22Å
804	V	92.3	Very high	92.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.116	C	C	.	.	I	π-helix	trans	-63	-46.6	176.6	170.9	0	0	0	0	111.3	F627 A744 I800 N801 T808 S809	F627-V804 HydrophobicContact CE1-CG2 3.85Å; F627-V804 HydrophobicContact CZ-CG2 3.83Å; A744-V804 HydrophobicContact CB-CB 4.48Å; A744-V804 HydrophobicContact CB-CG1 4.11Å; I800-V804 HydrophobicContact CG2-CG2 4.38Å; I800-V804 WeakPolarHBondContact O-CG2 3.47Å; I800-V804 PolarHBondContact O-N 3.34Å; N801-V804 PolarHBondContact O-N 2.9Å; V804-T808 WeakPolarHBondContact O-CA 3.24Å; V804-T808 VanDerWaalsContact O-CB 3.26Å; V804-T808 WeakPolarHBondContact O-CB 3.09Å; V804-T808 PolarHBondContact O-N 3.02Å; V804-S809 PolarHBondContact O-N 3.29Å
805	I	92	Very high	92.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	12%	0.124	C	C	.	.	I	π-helix	trans	-67.7	-41.7	-179.3	-64	165.4	0	0	0	111.5	V410 A744 N801 S809 F811 F893 F897	V410-I805 HydrophobicContact CG1-CD1 4.43Å; V410-I805 HydrophobicContact CG2-CG2 3.97Å; A744-I805 HydrophobicContact CB-CD1 3.93Å; A744-I805 HydrophobicContact CB-CG1 3.62Å; N801-I805 WeakPolarHBondContact O-CG1 3.33Å; N801-I805 PolarHBondContact O-N 2.96Å; I805-S809 WeakPolarHBondContact O-CB 3.02Å; I805-F811 HydrophobicContact CG2-CD1 4.12Å; I805-F893 HydrophobicContact CB-CE1 3.96Å; I805-F893 HydrophobicContact CB-CZ 4.43Å; I805-F893 HydrophobicContact CG2-CE1 3.57Å; I805-F893 HydrophobicContact CG2-CZ 3.66Å; I805-F897 HydrophobicContact CD1-CE2 4.05Å; I805-F897 HydrophobicContact CD1-CZ 4.12Å
806	S	92.8	Very high	92.2	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-75.5	-44.6	-177.6	53.4	0	0	0	0	113.2	A802 F803 R890 V894	A802-S806 WeakPolarHBondContact O-CB 3.38Å; A802-S806 PolarHBondContact O-N 2.99Å; A802-S806 PolarHBondContact O-OG 2.85Å; F803-S806 WeakPolarHBondContact CA-OG 3.24Å; F803-S806 PolarHBondContact O-OG 3.48Å; S806-R890 WeakPolarHBondContact O-CD 3.28Å; S806-R890 VanDerWaalsContact O-CG 3.29Å; S806-R890 WeakPolarHBondContact O-CG 3.49Å; S806-R890 PolarHBondContact O-NE 3.48Å; S806-V894 WeakPolarHBondContact OG-CG2 3.47Å
807	F	90.2	Very high	92.2	Very high	37 Å²	37	21.2 Å²	21.2	16%	0.162	10%	0.104	C	C	.	.	I	π-helix	trans	-100.6	-42.4	-171.4	-74	-80.6	0	0	0	113.6	R631 F803 L887 R890 L891 V894	R631-F807 PolarHBondContact NH2-O 2.86Å; F803-F807 AromaticContact CD1-CD2 3.6Å; F803-F807 HydrophobicContact CD1-CD2 3.6Å; F803-F807 AromaticContact CD1-CE2 3.62Å; F803-F807 HydrophobicContact CD1-CE2 3.62Å; F803-F807 HydrophobicContact CE1-CD2 4.26Å; F803-F807 AromaticContact CE1-CE2 3.78Å; F803-F807 HydrophobicContact CE1-CE2 3.78Å; F803-F807 WeakPolarHBondContact O-CB 3.09Å; F803-F807 PolarHBondContact O-N 2.87Å; F807-L887 HydrophobicContact CE1-CD1 4.03Å; F807-L887 HydrophobicContact CZ-CD1 4.4Å; F807-R890 HydrophobicContact CE1-CB 4.5Å; F807-R890 HydrophobicContact CZ-CB 4.4Å; F807-L891 HydrophobicContact CE2-CD2 4.46Å; F807-L891 HydrophobicContact CZ-CD2 4Å; F807-V894 HydrophobicContact CE2-CG2 4.45Å
808	T	88.2	Confident	92	Very high	15 Å²	15	23.3 Å²	23.3	9%	0.092	11%	0.114	C	C	.	.	I	π-helix	trans	-87.6	-32.7	-171.5	-44.5	0	0	0	0	112.7	A626 V804	A626-T808 WeakPolarHBondContact O-CG2 2.94Å; A626-T808 PolarHBondContact O-OG1 3.25Å; V804-T808 WeakPolarHBondContact O-CA 3.24Å; V804-T808 VanDerWaalsContact O-CB 3.26Å; V804-T808 WeakPolarHBondContact O-CB 3.09Å; V804-T808 PolarHBondContact O-N 3.02Å
809	S	88.1	Confident	91.9	Very high	7 Å²	7	31.8 Å²	31.8	5%	0.049	15%	0.147	C	C	.	.	S	Bend	trans	-82	153.9	171.9	154.2	0	0	0	0	111.8	D405 V804 I805 F811	D405-S809 VanDerWaalsContact OD1-CB 3.24Å; D405-S809 WeakPolarHBondContact OD1-CB 3.5Å; D405-S809 PolarHBondContact OD1-OG 2.99Å; V804-S809 PolarHBondContact O-N 3.29Å; I805-S809 WeakPolarHBondContact O-CB 3.02Å; S809-F811 VanDerWaalsContact C-N 3.3Å; S809-F811 WeakPolarHBondContact OG-CB 3.25Å; S809-F811 PolarHBondContact OG-N 2.89Å
810	D	86.9	Confident	91.7	Very high	32 Å²	32	35.5 Å²	35.5	17%	0.171	16%	0.164	C	C	.	.	S	Bend	trans	-88.7	7.5	173.4	-82.6	-23.3	0	0	0	112.5	D405 I812 P813 R814 K865	D405-D810 PolarHBondContact OD2-N 3.42Å; D810-I812 PolarHBondContact O-N 3.04Å; D810-P813 WeakPolarHBondContact O-CD 3.17Å; D810-R814 VanDerWaalsContact O-CG 3.31Å; D810-R814 WeakPolarHBondContact O-CG 3.43Å; D810-R814 PolarHBondContact O-N 3.02Å; D810-R814 VanDerWaalsContact O-N 3.09Å; D810-K865 IonicContact OD1-NZ 2.7Å; D810-K865 PolarHBondContact OD1-NZ 3.05Å; D810-K865 IonicContact OD2-NZ 2.75Å; D810-K865 PolarHBondContact OD2-NZ 3.22Å
811	F	90.1	Very high	91.5	Very high	40 Å²	40	37.8 Å²	37.8	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-55.9	-51	-179	177.6	-104.6	0	0	0	113.3	P407 V410 I805 S809 R814 L815 F893	P407-F811 HydrophobicContact CB-CE2 4.45Å; V410-F811 HydrophobicContact CG2-CD1 4.21Å; V410-F811 HydrophobicContact CG2-CD2 4.31Å; V410-F811 HydrophobicContact CG2-CE1 4.18Å; V410-F811 HydrophobicContact CG2-CE2 4.28Å; V410-F811 HydrophobicContact CG2-CG 4.29Å; V410-F811 HydrophobicContact CG2-CZ 4.22Å; I805-F811 HydrophobicContact CG2-CD1 4.12Å; S809-F811 VanDerWaalsContact C-N 3.3Å; S809-F811 WeakPolarHBondContact OG-CB 3.25Å; S809-F811 PolarHBondContact OG-N 2.89Å; F811-R814 PolarHBondContact O-N 3.27Å; F811-L815 HydrophobicContact CE1-CD2 4.32Å; F811-L815 HydrophobicContact CZ-CD2 4.47Å; F811-L815 WeakPolarHBondContact O-CB 3.47Å; F811-L815 PolarHBondContact O-N 3.45Å; F811-F893 HydrophobicContact CE1-CE2 4.32Å
812	I	92.8	Very high	91.3	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-47.3	-178.9	-57	-61.5	0	0	0	112.3	D810 R814 L815 V816 A889 R890 F893	D810-I812 PolarHBondContact O-N 3.04Å; I812-R814 VanDerWaalsContact C-N 3.33Å; I812-R814 PolarHBondContact O-N 3.44Å; I812-L815 PolarHBondContact O-N 2.87Å; I812-V816 HydrophobicContact CG2-CG2 4.24Å; I812-V816 WeakPolarHBondContact O-CG2 3.39Å; I812-V816 PolarHBondContact O-N 3.44Å; I812-A889 HydrophobicContact CG2-CB 3.9Å; I812-R890 HydrophobicContact CB-CG 4.1Å; I812-R890 HydrophobicContact CG1-CG 4.49Å; I812-R890 HydrophobicContact CG2-CG 3.81Å; I812-F893 HydrophobicContact CD1-CB 3.79Å; I812-F893 HydrophobicContact CD1-CD1 4.15Å; I812-F893 HydrophobicContact CD1-CD2 3.63Å; I812-F893 HydrophobicContact CD1-CE2 4.24Å; I812-F893 HydrophobicContact CD1-CG 3.57Å; I812-F893 HydrophobicContact CG1-CB 4.5Å; I812-F893 HydrophobicContact CG1-CG 4.43Å
813	P	91.7	Very high	90.9	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-49.8	-46.6	169.1	-32	36.2	0	0	0	114.7	D810 L815 V816 Y817 F830 V886	D810-P813 WeakPolarHBondContact O-CD 3.17Å; P813-L815 PolarHBondContact O-N 3.36Å; P813-V816 PolarHBondContact O-N 3.47Å; P813-Y817 PolarHBondContact O-N 3.01Å; P813-F830 HydrophobicContact CB-CE2 4.33Å; P813-F830 HydrophobicContact CB-CZ 4.27Å; P813-V886 HydrophobicContact CG-CG1 4.14Å
814	R	90.4	Very high	90.6	Very high	41 Å²	41	51.8 Å²	51.8	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-62.4	-43.2	178.2	-68.9	175.2	-161.4	153.2	16.5	111.4	D405 D810 F811 I812 Y817 L818 M827 F830	D405-R814 PolarHBondContact O-NH1 3.18Å; D405-R814 IonicContact OD2-CZ 2.97Å; D405-R814 VanDerWaalsContact OD2-CZ 3.31Å; D405-R814 IonicContact OD2-NH1 3.26Å; D405-R814 PolarHBondContact OD2-NH1 3.43Å; D405-R814 IonicContact OD2-NH2 2.69Å; D405-R814 PolarHBondContact OD2-NH2 2.97Å; D810-R814 VanDerWaalsContact O-CG 3.31Å; D810-R814 WeakPolarHBondContact O-CG 3.43Å; D810-R814 PolarHBondContact O-N 3.02Å; D810-R814 VanDerWaalsContact O-N 3.09Å; F811-R814 PolarHBondContact O-N 3.27Å; I812-R814 VanDerWaalsContact C-N 3.33Å; I812-R814 PolarHBondContact O-N 3.44Å; R814-Y817 PolarHBondContact O-N 3.08Å; R814-L818 WeakPolarHBondContact O-CB 3.15Å; R814-L818 PolarHBondContact O-N 3.06Å; R814-M827 HydrophobicContact CB-CE 3.62Å; R814-M827 HydrophobicContact CB-SD 4.45Å; R814-M827 HydrophobicContact CG-CE 3.73Å; R814-F830 HydrophobicContact CB-CE2 4.38Å; R814-F830 HydrophobicContact CB-CZ 4.47Å; R814-F830 HydrophobicContact CG-CE1 3.9Å; R814-F830 HydrophobicContact CG-CE2 3.92Å; R814-F830 HydrophobicContact CG-CZ 3.57Å
815	L	91.6	Very high	90.2	Very high	64 Å²	64	54.2 Å²	54.2	34%	0.335	27%	0.268	S	S	.	.	H	α-helix	trans	-64.7	-43.3	179.4	-161.3	70.7	0	0	0	112.4	F811 I812 P813 L818 Y819	F811-L815 HydrophobicContact CE1-CD2 4.32Å; F811-L815 HydrophobicContact CZ-CD2 4.47Å; F811-L815 WeakPolarHBondContact O-CB 3.47Å; F811-L815 PolarHBondContact O-N 3.45Å; I812-L815 PolarHBondContact O-N 2.87Å; P813-L815 PolarHBondContact O-N 3.36Å; L815-L818 PolarHBondContact O-N 3.06Å; L815-Y819 HydrophobicContact CD1-CD2 4.13Å; L815-Y819 HydrophobicContact CD1-CE2 3.64Å; L815-Y819 HydrophobicContact CG-CD2 4.04Å; L815-Y819 HydrophobicContact CG-CE2 4Å; L815-Y819 WeakPolarHBondContact O-CD2 3.23Å; L815-Y819 PolarHBondContact O-N 3.37Å
816	V	93.9	Very high	90	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-44.5	176.6	170.4	0	0	0	0	110.8	I812 P813 L818 Y819 M820 Y821 V886 A889	I812-V816 HydrophobicContact CG2-CG2 4.24Å; I812-V816 WeakPolarHBondContact O-CG2 3.39Å; I812-V816 PolarHBondContact O-N 3.44Å; P813-V816 PolarHBondContact O-N 3.47Å; V816-L818 PolarHBondContact O-N 3.45Å; V816-Y819 PolarHBondContact O-N 2.89Å; V816-M820 HydrophobicContact CG1-SD 4.11Å; V816-M820 WeakPolarHBondContact O-CB 2.97Å; V816-M820 PolarHBondContact O-N 3.49Å; V816-Y821 HydrophobicContact CG1-CD2 4.32Å; V816-Y821 HydrophobicContact CG1-CE2 3.86Å; V816-V886 HydrophobicContact CB-CG2 4.35Å; V816-V886 HydrophobicContact CG1-CG2 3.99Å; V816-A889 HydrophobicContact CG2-CB 3.52Å
817	Y	92.5	Very high	89.8	Confident	25 Å²	25	58.1 Å²	58.1	10%	0.098	29%	0.29	C	S	.	.	I	π-helix	trans	-58.5	-47.5	175.4	-177	-102.6	0	0	0	112	P813 R814 Y819 Y821 S822 M827 H828 F830 H833	P813-Y817 PolarHBondContact O-N 3.01Å; R814-Y817 PolarHBondContact O-N 3.08Å; Y817-Y819 VanDerWaalsContact C-N 3.34Å; Y817-Y819 PolarHBondContact O-N 3.37Å; Y817-Y821 HydrophobicContact CD2-CG 4.44Å; Y817-Y821 CarbonylContact O-C 3.6Å; Y817-Y821 PolarHBondContact O-N 3.03Å; Y817-S822 PolarHBondContact O-N 3.34Å; Y817-M827 HydrophobicContact CD1-CE 4.34Å; Y817-M827 HydrophobicContact CD1-SD 4.41Å; Y817-H828 PolarHBondContact OH-O 2.94Å; Y817-F830 HydrophobicContact CD1-CB 3.89Å; Y817-F830 AromaticContact CD1-CD2 3.88Å; Y817-F830 HydrophobicContact CD1-CD2 3.88Å; Y817-F830 HydrophobicContact CD1-CG 4.38Å; Y817-F830 HydrophobicContact CD2-CD2 4.41Å; Y817-F830 HydrophobicContact CE1-CB 3.92Å; Y817-F830 HydrophobicContact CG-CB 4.46Å; Y817-F830 AromaticContact CG-CD2 3.73Å; Y817-F830 HydrophobicContact CG-CD2 3.73Å; Y817-H833 HydrophobicContact CD2-CB 4.02Å; Y817-H833 AromaticContact CD2-CD2 3.86Å; Y817-H833 AromaticContact CD2-CG 3.64Å; Y817-H833 AromaticContact CD2-ND1 3.78Å; Y817-H833 HydrophobicContact CE2-CB 3.57Å; Y817-H833 AromaticContact CE2-CD2 3.58Å; Y817-H833 AromaticContact CE2-CG 3.5Å; Y817-H833 VanDerWaalsContact CE2-CG 3.5Å
818	L	92.2	Very high	89.7	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.257	31%	0.306	S	S	.	.	I	π-helix	trans	-58.8	-41.4	-178.5	-172	67.9	0	0	0	113.1	R814 L815 V816 G825 M827	R814-L818 WeakPolarHBondContact O-CB 3.15Å; R814-L818 PolarHBondContact O-N 3.06Å; L815-L818 PolarHBondContact O-N 3.06Å; V816-L818 PolarHBondContact O-N 3.45Å; L818-G825 WeakPolarHBondContact CD1-O 3.49Å; L818-M827 HydrophobicContact CB-SD 3.99Å; L818-M827 HydrophobicContact CD1-CG 4.3Å; L818-M827 HydrophobicContact CD1-SD 3.95Å; L818-M827 HydrophobicContact CG-SD 4.45Å
819	Y	91.7	Very high	89.7	Confident	184 Å²	184	62 Å²	62	72%	0.722	31%	0.314	S	S	*	.	I	π-helix	trans	-94.2	-28.1	-175	-73.7	-62.1	0	0	0	115.4	L815 V816 Y817	L815-Y819 HydrophobicContact CD1-CD2 4.13Å; L815-Y819 HydrophobicContact CD1-CE2 3.64Å; L815-Y819 HydrophobicContact CG-CD2 4.04Å; L815-Y819 HydrophobicContact CG-CE2 4Å; L815-Y819 WeakPolarHBondContact O-CD2 3.23Å; L815-Y819 PolarHBondContact O-N 3.37Å; V816-Y819 PolarHBondContact O-N 2.89Å; Y817-Y819 VanDerWaalsContact C-N 3.34Å; Y817-Y819 PolarHBondContact O-N 3.37Å
820	M	91	Very high	89.8	Confident	132 Å²	132	62.2 Å²	62.2	65%	0.65	31%	0.314	S	S	*	.	I	π-helix	trans	-106.9	-27.2	-174.9	-64	-175.2	68.8	0	0	114.2	V816	V816-M820 HydrophobicContact CG1-SD 4.11Å; V816-M820 WeakPolarHBondContact O-CB 2.97Å; V816-M820 PolarHBondContact O-N 3.49Å
821	Y	89.8	Confident	89.9	Confident	68 Å²	68	61.1 Å²	61.1	27%	0.267	31%	0.308	S	S	.	.	I	π-helix	trans	-120.4	-26	-169.2	-61.8	-94.6	0	0	0	113.6	V816 Y817 K823 H833 D882	V816-Y821 HydrophobicContact CG1-CD2 4.32Å; V816-Y821 HydrophobicContact CG1-CE2 3.86Å; Y817-Y821 HydrophobicContact CD2-CG 4.44Å; Y817-Y821 CarbonylContact O-C 3.6Å; Y817-Y821 PolarHBondContact O-N 3.03Å; Y821-K823 PolarHBondContact O-N 2.83Å; Y821-H833 AromaticContact CD1-NE2 3.23Å; Y821-H833 WeakPolarHBondContact CD1-NE2 3.36Å; Y821-H833 AromaticContact CE1-NE2 3.66Å; Y821-H833 AromaticContact CG-NE2 3.58Å; Y821-D882 VanDerWaalsContact CE1-OD1 3.3Å; Y821-D882 WeakPolarHBondContact CE1-OD1 3.18Å; Y821-D882 VanDerWaalsContact CZ-OD1 3.31Å; Y821-D882 VanDerWaalsContact OH-CG 3.26Å; Y821-D882 PolarHBondContact OH-OD1 3.25Å
822	S	90.9	Very high	89.8	Confident	23 Å²	23	63.1 Å²	63.1	16%	0.161	32%	0.321	C	S	.	.			trans	-76.2	115.2	178.2	-172.5	0	0	0	0	112.1	Y817 N824 G825 T826	Y817-S822 PolarHBondContact O-N 3.34Å; S822-N824 VanDerWaalsContact C-N 3.27Å; S822-N824 PolarHBondContact O-N 3.02Å; S822-G825 PolarHBondContact OG-N 3.09Å; S822-T826 WeakPolarHBondContact CB-O 3.47Å; S822-T826 PolarHBondContact OG-N 3.35Å; S822-T826 PolarHBondContact OG-O 3.05Å
823	K	85.8	Confident	89.7	Confident	206 Å²	206	65.8 Å²	65.8	90%	0.896	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.6	177.9	-62.8	-177.7	-179.6	-179.8	0	113.7	Y821	Y821-K823 PolarHBondContact O-N 2.83Å
824	N	87.2	Confident	89.6	Confident	138 Å²	138	66.1 Å²	66.1	74%	0.738	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	3	-172.7	-65.3	6	0	0	0	112.8	S822 T826	S822-N824 VanDerWaalsContact C-N 3.27Å; S822-N824 PolarHBondContact O-N 3.02Å; N824-T826 HydrophobicContact CB-CG2 4.43Å; N824-T826 PolarHBondContact O-N 3.43Å
825	G	83.7	Confident	89.6	Confident	53 Å²	53	64.9 Å²	64.9	55%	0.546	33%	0.332	S	S	.	.	S	Bend	trans	65.3	23.5	-173	0	0	0	0	0	114	L818 S822	L818-G825 WeakPolarHBondContact CD1-O 3.49Å; S822-G825 PolarHBondContact OG-N 3.09Å
826	T	89.6	Confident	89.6	Confident	56 Å²	56	62.3 Å²	62.3	34%	0.344	32%	0.319	S	S	.	.	S	Bend	trans	-115.4	159.5	177.5	65	0	0	0	0	111.5	S822 N824 H828	S822-T826 WeakPolarHBondContact CB-O 3.47Å; S822-T826 PolarHBondContact OG-N 3.35Å; S822-T826 PolarHBondContact OG-O 3.05Å; N824-T826 HydrophobicContact CB-CG2 4.43Å; N824-T826 PolarHBondContact O-N 3.43Å; T826-H828 PolarHBondContact O-N 3.49Å
827	M	87.1	Confident	89.5	Confident	29 Å²	29	62.4 Å²	62.4	14%	0.143	32%	0.32	C	S	.	.			trans	-81.6	6.9	179.9	-72.1	-59.8	-58.6	0	0	114.4	I364 P365 R814 Y817 L818 F830	I364-M827 HydrophobicContact CB-CB 4.14Å; I364-M827 HydrophobicContact CD1-CB 4.3Å; I364-M827 HydrophobicContact CG2-CB 4.26Å; P365-M827 HydrophobicContact CG-CB 4.28Å; P365-M827 HydrophobicContact CG-CE 3.94Å; R814-M827 HydrophobicContact CB-CE 3.62Å; R814-M827 HydrophobicContact CB-SD 4.45Å; R814-M827 HydrophobicContact CG-CE 3.73Å; Y817-M827 HydrophobicContact CD1-CE 4.34Å; Y817-M827 HydrophobicContact CD1-SD 4.41Å; L818-M827 HydrophobicContact CB-SD 3.99Å; L818-M827 HydrophobicContact CD1-CG 4.3Å; L818-M827 HydrophobicContact CD1-SD 3.95Å; L818-M827 HydrophobicContact CG-SD 4.45Å; M827-F830 HydrophobicContact CE-CB 3.89Å; M827-F830 HydrophobicContact CE-CD1 4.29Å; M827-F830 HydrophobicContact CE-CD2 3.75Å; M827-F830 HydrophobicContact CE-CE2 4.38Å; M827-F830 HydrophobicContact CE-CG 3.69Å; M827-F830 VanDerWaalsContact O-CB 3.28Å; M827-F830 WeakPolarHBondContact O-CB 3.45Å; M827-F830 PolarHBondContact O-N 2.72Å
828	H	89.7	Confident	89.5	Confident	111 Å²	111	61.2 Å²	61.2	51%	0.514	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	135	-179.2	-78.8	-62	0	0	0	112.3	I364 E368 Y817 T826 F830	I364-H828 WeakPolarHBondContact CG2-ND1 3.2Å; E368-H828 VanDerWaalsContact OE1-CA 3.28Å; E368-H828 WeakPolarHBondContact OE1-CA 3.45Å; E368-H828 IonicContact OE1-ND1 3.98Å; E368-H828 PolarHBondContact OE1-ND1 3.19Å; Y817-H828 PolarHBondContact OH-O 2.94Å; T826-H828 PolarHBondContact O-N 3.49Å; H828-F830 VanDerWaalsContact C-N 3.33Å
829	G	87.9	Confident	89.6	Confident	24 Å²	24	61.4 Å²	61.4	25%	0.247	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-0.3	-177.4	0	0	0	0	0	114.3	E368 V831 N832 H833	E368-G829 PolarHBondContact OE1-N 2.98Å; E368-G829 PolarHBondContact OE2-N 3.35Å; G829-V831 VanDerWaalsContact C-N 3.31Å; G829-V831 PolarHBondContact O-N 2.81Å; G829-N832 PolarHBondContact O-N 3.22Å; G829-H833 WeakPolarHBondContact O-CB 3.34Å; G829-H833 PolarHBondContact O-N 2.73Å
830	F	89.9	Confident	89.5	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-42.4	-179.5	172.4	-101.3	0	0	0	112.5	P365 E368 P813 R814 Y817 M827 H828 H833 T834	P365-F830 HydrophobicContact CB-CD1 3.93Å; P365-F830 HydrophobicContact CB-CE1 4.5Å; P365-F830 HydrophobicContact CG-CD1 3.96Å; P365-F830 HydrophobicContact CG-CG 4.46Å; E368-F830 PolarHBondContact OE2-N 2.74Å; P813-F830 HydrophobicContact CB-CE2 4.33Å; P813-F830 HydrophobicContact CB-CZ 4.27Å; R814-F830 HydrophobicContact CB-CE2 4.38Å; R814-F830 HydrophobicContact CB-CZ 4.47Å; R814-F830 HydrophobicContact CG-CE1 3.9Å; R814-F830 HydrophobicContact CG-CE2 3.92Å; R814-F830 HydrophobicContact CG-CZ 3.57Å; Y817-F830 HydrophobicContact CD1-CB 3.89Å; Y817-F830 AromaticContact CD1-CD2 3.88Å; Y817-F830 HydrophobicContact CD1-CD2 3.88Å; Y817-F830 HydrophobicContact CD1-CG 4.38Å; Y817-F830 HydrophobicContact CD2-CD2 4.41Å; Y817-F830 HydrophobicContact CE1-CB 3.92Å; Y817-F830 HydrophobicContact CG-CB 4.46Å; Y817-F830 AromaticContact CG-CD2 3.73Å; Y817-F830 HydrophobicContact CG-CD2 3.73Å; M827-F830 HydrophobicContact CE-CB 3.89Å; M827-F830 HydrophobicContact CE-CD1 4.29Å; M827-F830 HydrophobicContact CE-CD2 3.75Å; M827-F830 HydrophobicContact CE-CE2 4.38Å; M827-F830 HydrophobicContact CE-CG 3.69Å; M827-F830 VanDerWaalsContact O-CB 3.28Å; M827-F830 WeakPolarHBondContact O-CB 3.45Å; M827-F830 PolarHBondContact O-N 2.72Å; H828-F830 VanDerWaalsContact C-N 3.33Å; F830-H833 PolarHBondContact O-N 2.75Å; F830-T834 WeakPolarHBondContact CE2-OG1 3.16Å; F830-T834 WeakPolarHBondContact CZ-OG1 3.29Å; F830-T834 WeakPolarHBondContact O-CB 3.47Å; F830-T834 PolarHBondContact O-N 3.41Å; F830-T834 PolarHBondContact O-OG1 2.75Å
831	V	88.5	Confident	89.3	Confident	9 Å²	9	52.2 Å²	52.2	6%	0.055	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-41.2	-179.8	-179	0	0	0	0	110.6	E368 M369 G829 H833 T834 L835	E368-V831 HydrophobicContact CB-CB 4.25Å; E368-V831 HydrophobicContact CB-CG2 3.71Å; E368-V831 PolarHBondContact OE2-N 2.7Å; M369-V831 HydrophobicContact CG-CG1 4.12Å; M369-V831 HydrophobicContact CG-CG2 3.84Å; G829-V831 VanDerWaalsContact C-N 3.31Å; G829-V831 PolarHBondContact O-N 2.81Å; V831-H833 VanDerWaalsContact C-N 3.34Å; V831-H833 PolarHBondContact O-N 3.36Å; V831-T834 PolarHBondContact O-N 3.37Å; V831-L835 HydrophobicContact CG1-CD1 4Å; V831-L835 WeakPolarHBondContact O-CD1 3.33Å; V831-L835 VanDerWaalsContact O-CG 3.27Å; V831-L835 WeakPolarHBondContact O-CG 3.45Å
832	N	89	Confident	89.3	Confident	82 Å²	82	51.5 Å²	51.5	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-66.9	-35	178.4	-171.1	32.9	0	0	0	112.3	G829 R863	G829-N832 PolarHBondContact O-N 3.22Å; N832-R863 PolarHBondContact O-NH1 3.09Å; N832-R863 VanDerWaalsContact OD1-CZ 3.28Å; N832-R863 PolarHBondContact OD1-NH1 3.41Å; N832-R863 PolarHBondContact OD1-NH2 2.77Å
833	H	89.3	Confident	89.1	Confident	60 Å²	60	51.5 Å²	51.5	28%	0.278	29%	0.289	S	S	.	.	H	α-helix	trans	-71.8	-37	175.8	-177.5	-79.6	0	0	0	113.3	Y817 Y821 G829 F830 V831 L835 D882	Y817-H833 HydrophobicContact CD2-CB 4.02Å; Y817-H833 AromaticContact CD2-CD2 3.86Å; Y817-H833 AromaticContact CD2-CG 3.64Å; Y817-H833 AromaticContact CD2-ND1 3.78Å; Y817-H833 HydrophobicContact CE2-CB 3.57Å; Y817-H833 AromaticContact CE2-CD2 3.58Å; Y817-H833 AromaticContact CE2-CG 3.5Å; Y817-H833 VanDerWaalsContact CE2-CG 3.5Å; Y821-H833 AromaticContact CD1-NE2 3.23Å; Y821-H833 WeakPolarHBondContact CD1-NE2 3.36Å; Y821-H833 AromaticContact CE1-NE2 3.66Å; Y821-H833 AromaticContact CG-NE2 3.58Å; G829-H833 WeakPolarHBondContact O-CB 3.34Å; G829-H833 PolarHBondContact O-N 2.73Å; F830-H833 PolarHBondContact O-N 2.75Å; V831-H833 VanDerWaalsContact C-N 3.34Å; V831-H833 PolarHBondContact O-N 3.36Å; H833-L835 PolarHBondContact O-N 2.82Å; H833-D882 IonicContact CE1-OD2 3.56Å; H833-D882 IonicContact NE2-OD2 3.9Å
834	T	89.7	Confident	89.1	Confident	11 Å²	11	45.8 Å²	45.8	7%	0.067	27%	0.265	C	S	.	.	S	Bend	trans	-78.7	-6.8	-175.6	-52.7	0	0	0	0	113.3	F830 V831 K865	F830-T834 WeakPolarHBondContact CE2-OG1 3.16Å; F830-T834 WeakPolarHBondContact CZ-OG1 3.29Å; F830-T834 WeakPolarHBondContact O-CB 3.47Å; F830-T834 PolarHBondContact O-N 3.41Å; F830-T834 PolarHBondContact O-OG1 2.75Å; V831-T834 PolarHBondContact O-N 3.37Å; T834-K865 HydrophobicContact CG2-CG 4.29Å
835	L	90.1	Very high	88.8	Confident	15 Å²	15	47.4 Å²	47.4	8%	0.079	27%	0.274	C	S	.	.			trans	-110.8	109.2	-175.3	-69.9	174.8	0	0	0	112.2	I376 M378 M391 V831 H833 R863 Y864 K865	I376-L835 HydrophobicContact CD1-CD1 4.45Å; I376-L835 HydrophobicContact CG2-CD1 4Å; M378-L835 HydrophobicContact CE-CD2 3.81Å; M378-L835 HydrophobicContact SD-CD1 4.24Å; M378-L835 HydrophobicContact SD-CD2 3.99Å; M391-L835 HydrophobicContact CE-CD1 3.69Å; M391-L835 HydrophobicContact CE-CD2 4.07Å; M391-L835 HydrophobicContact CE-CG 4.45Å; V831-L835 HydrophobicContact CG1-CD1 4Å; V831-L835 WeakPolarHBondContact O-CD1 3.33Å; V831-L835 VanDerWaalsContact O-CG 3.27Å; V831-L835 WeakPolarHBondContact O-CG 3.45Å; H833-L835 PolarHBondContact O-N 2.82Å; L835-R863 HydrophobicContact CB-CB 4.31Å; L835-R863 PolarHBondContact O-NH1 3.22Å; L835-Y864 WeakPolarHBondContact CA-O 3.36Å; L835-K865 HydrophobicContact CD2-CB 4.32Å
836	S	91.7	Very high	88.5	Confident	10 Å²	10	47 Å²	47	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	149.7	170.1	41.4	0	0	0	0	111.5	R863 Y864 D866	S836-R863 WeakPolarHBondContact O-CA 3.42Å; S836-Y864 PolarHBondContact N-O 3.49Å; S836-Y864 PolarHBondContact O-N 3.28Å; S836-Y864 VanDerWaalsContact O-N 3.11Å; S836-Y864 WeakPolarHBondContact OG-CE1 3.35Å; S836-Y864 WeakPolarHBondContact OG-CE2 3.29Å; S836-Y864 VanDerWaalsContact OG-CZ 3.26Å; S836-Y864 PolarHBondContact OG-O 2.74Å; S836-D866 VanDerWaalsContact CB-O 3.24Å; S836-D866 WeakPolarHBondContact CB-O 3.31Å; S836-D866 PolarHBondContact OG-O 3.32Å
837	S	92.6	Very high	88.1	Confident	16 Å²	16	44.9 Å²	44.9	11%	0.112	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.5	179.3	-61.4	0	0	0	0	110.8	P871	S837-P871 WeakPolarHBondContact O-CD 3.24Å
838	F	93.2	Very high	87.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.8	176.2	-176.6	-107.3	0	0	0	110.9	P636 D842 F843 I861 C862 Y864 Y877	P636-F838 HydrophobicContact CB-CB 4.4Å; P636-F838 HydrophobicContact CB-CD1 3.65Å; P636-F838 HydrophobicContact CB-CD2 3.74Å; P636-F838 HydrophobicContact CB-CE1 3.73Å; P636-F838 HydrophobicContact CB-CE2 3.82Å; P636-F838 HydrophobicContact CB-CG 3.65Å; P636-F838 HydrophobicContact CB-CZ 3.81Å; P636-F838 HydrophobicContact CG-CG 4.36Å; P636-F838 WeakPolarHBondContact O-CE2 3.41Å; F838-D842 HydrophobicContact CE2-CB 3.9Å; F838-D842 HydrophobicContact CZ-CB 3.78Å; F838-F843 HydrophobicContact CD1-CE1 4.37Å; F838-F843 HydrophobicContact CD1-CE2 4.32Å; F838-F843 HydrophobicContact CD1-CZ 4.04Å; F838-F843 AromaticContact CE1-CD1 3.84Å; F838-F843 HydrophobicContact CE1-CD1 3.84Å; F838-F843 AromaticContact CE1-CD2 3.99Å; F838-F843 HydrophobicContact CE1-CD2 3.99Å; F838-F843 AromaticContact CE1-CE1 3.65Å; F838-F843 HydrophobicContact CE1-CE1 3.65Å; F838-F843 AromaticContact CE1-CE2 3.81Å; F838-F843 HydrophobicContact CE1-CE2 3.81Å; F838-F843 AromaticContact CE1-CG 3.98Å; F838-F843 HydrophobicContact CE1-CG 3.98Å; F838-F843 AromaticContact CE1-CZ 3.62Å; F838-F843 HydrophobicContact CE1-CZ 3.62Å; F838-F843 HydrophobicContact CZ-CD1 4.23Å; F838-F843 HydrophobicContact CZ-CE1 4.34Å; F838-F843 HydrophobicContact CZ-CG 4.46Å; F838-I861 WeakPolarHBondContact O-CA 3.29Å; F838-I861 WeakPolarHBondContact O-CG2 3.25Å; F838-C862 PolarHBondContact N-O 2.91Å; F838-C862 PolarHBondContact O-N 2.7Å; F838-Y864 HydrophobicContact CB-CD1 3.99Å; F838-Y864 HydrophobicContact CB-CE1 3.82Å; F838-Y877 HydrophobicContact CD2-CD1 4.24Å; F838-Y877 AromaticContact CD2-CE1 3.58Å; F838-Y877 HydrophobicContact CD2-CE1 3.58Å; F838-Y877 HydrophobicContact CD2-CE2 4.43Å; F838-Y877 AromaticContact CD2-CZ 3.66Å; F838-Y877 HydrophobicContact CE2-CE1 4.18Å; F838-Y877 HydrophobicContact CE2-CE2 4.22Å; F838-Y877 AromaticContact CE2-CZ 3.83Å
839	N	93	Very high	87.5	Confident	53 Å²	53	40.8 Å²	40.8	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.6	174	-171.5	-11.8	0	0	0	109.5	S841 D842 Q860 P871 Y877	N839-S841 VanDerWaalsContact CG-OG 3.25Å; N839-S841 PolarHBondContact ND2-OG 3.04Å; N839-S841 PolarHBondContact O-N 3.1Å; N839-S841 VanDerWaalsContact O-N 3.11Å; N839-S841 PolarHBondContact OD1-N 3.28Å; N839-S841 PolarHBondContact OD1-OG 3.3Å; N839-S841 VanDerWaalsContact OD1-OG 3.06Å; N839-D842 PolarHBondContact O-N 3.29Å; N839-D842 VanDerWaalsContact O-N 3.12Å; N839-Q860 PolarHBondContact OD1-O 2.67Å; N839-P871 HydrophobicContact CB-CB 4.31Å; N839-Y877 WeakPolarHBondContact CB-OH 3.3Å; N839-Y877 PolarHBondContact N-OH 2.88Å
840	V	89.4	Confident	87.1	Confident	31 Å²	31	44.7 Å²	44.7	19%	0.188	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.3	-17.2	-174.8	-56.1	0	0	0	0	113.5	Y388 D842 F843 V859 Q860	Y388-V840 HydrophobicContact CE1-CG1 4.23Å; Y388-V840 WeakPolarHBondContact OH-CG1 3.32Å; V840-D842 VanDerWaalsContact C-N 3.29Å; V840-D842 PolarHBondContact O-N 3.16Å; V840-F843 HydrophobicContact CB-CD2 4.31Å; V840-F843 HydrophobicContact CB-CE2 4.18Å; V840-F843 HydrophobicContact CG1-CE2 4.36Å; V840-F843 WeakPolarHBondContact O-CD2 3.31Å; V840-V859 HydrophobicContact CG1-CG1 4.36Å; V840-V859 WeakPolarHBondContact CG1-O 3.44Å; V840-V859 VanDerWaalsContact CG2-O 3.28Å; V840-V859 WeakPolarHBondContact CG2-O 3.23Å; V840-Q860 PolarHBondContact N-O 3.01Å
841	S	87.8	Confident	86.4	Confident	91 Å²	91	47.8 Å²	47.8	64%	0.636	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-72.6	-17.8	175.8	60.9	0	0	0	0	114.1	N839 F843	N839-S841 VanDerWaalsContact CG-OG 3.25Å; N839-S841 PolarHBondContact ND2-OG 3.04Å; N839-S841 PolarHBondContact O-N 3.1Å; N839-S841 VanDerWaalsContact O-N 3.11Å; N839-S841 PolarHBondContact OD1-N 3.28Å; N839-S841 PolarHBondContact OD1-OG 3.3Å; N839-S841 VanDerWaalsContact OD1-OG 3.06Å; S841-F843 VanDerWaalsContact C-N 3.3Å; S841-F843 PolarHBondContact O-N 3.16Å
842	D	88.9	Confident	85.4	Confident	53 Å²	53	50.3 Å²	50.3	28%	0.283	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85.7	12	178.2	-74	-69.3	0	0	0	113.2	F838 N839 V840 K876 Y877	F838-D842 HydrophobicContact CE2-CB 3.9Å; F838-D842 HydrophobicContact CZ-CB 3.78Å; N839-D842 PolarHBondContact O-N 3.29Å; N839-D842 VanDerWaalsContact O-N 3.12Å; V840-D842 VanDerWaalsContact C-N 3.29Å; V840-D842 PolarHBondContact O-N 3.16Å; D842-K876 IonicContact OD1-NZ 2.79Å; D842-K876 PolarHBondContact OD1-NZ 3.45Å; D842-Y877 HydrophobicContact CB-CE2 4.11Å; D842-Y877 VanDerWaalsContact OD2-CE2 3.3Å; D842-Y877 WeakPolarHBondContact OD2-CE2 3.09Å; D842-Y877 PolarHBondContact OD2-OH 3.39Å
843	F	87.9	Confident	84.3	Confident	24 Å²	24	51.4 Å²	51.4	11%	0.105	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-70.1	141.8	174.5	-82.8	-58.4	0	0	0	112.4	P380 P636 F838 V840 S841 A848	P380-F843 HydrophobicContact CG-CZ 4.45Å; P636-F843 HydrophobicContact CB-CE1 4.13Å; F838-F843 HydrophobicContact CD1-CE1 4.37Å; F838-F843 HydrophobicContact CD1-CE2 4.32Å; F838-F843 HydrophobicContact CD1-CZ 4.04Å; F838-F843 AromaticContact CE1-CD1 3.84Å; F838-F843 HydrophobicContact CE1-CD1 3.84Å; F838-F843 AromaticContact CE1-CD2 3.99Å; F838-F843 HydrophobicContact CE1-CD2 3.99Å; F838-F843 AromaticContact CE1-CE1 3.65Å; F838-F843 HydrophobicContact CE1-CE1 3.65Å; F838-F843 AromaticContact CE1-CE2 3.81Å; F838-F843 HydrophobicContact CE1-CE2 3.81Å; F838-F843 AromaticContact CE1-CG 3.98Å; F838-F843 HydrophobicContact CE1-CG 3.98Å; F838-F843 AromaticContact CE1-CZ 3.62Å; F838-F843 HydrophobicContact CE1-CZ 3.62Å; F838-F843 HydrophobicContact CZ-CD1 4.23Å; F838-F843 HydrophobicContact CZ-CE1 4.34Å; F838-F843 HydrophobicContact CZ-CG 4.46Å; V840-F843 HydrophobicContact CB-CD2 4.31Å; V840-F843 HydrophobicContact CB-CE2 4.18Å; V840-F843 HydrophobicContact CG1-CE2 4.36Å; V840-F843 WeakPolarHBondContact O-CD2 3.31Å; S841-F843 VanDerWaalsContact C-N 3.3Å; S841-F843 PolarHBondContact O-N 3.16Å; F843-A848 HydrophobicContact CB-CB 4.3Å; F843-A848 HydrophobicContact CD2-CB 4.34Å; F843-A848 HydrophobicContact CG-CB 4.45Å
844	Q	84.8	Confident	83.3	Confident	85 Å²	85	53.7 Å²	53.7	40%	0.397	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-69.4	144	171.9	-68	-178.1	14.4	0	0	111	G637 D638 G846 T847	G637-Q844 VanDerWaalsContact O-CG 3.3Å; G637-Q844 WeakPolarHBondContact O-CG 3.44Å; G637-Q844 PolarHBondContact O-NE2 3.42Å; D638-Q844 PolarHBondContact OD1-NE2 2.77Å; Q844-G846 PolarHBondContact O-N 3.44Å; Q844-G846 VanDerWaalsContact O-N 3.14Å; Q844-T847 HydrophobicContact CB-CG2 4.04Å; Q844-T847 PolarHBondContact N-OG1 2.88Å; Q844-T847 WeakPolarHBondContact O-CB 3.36Å; Q844-T847 PolarHBondContact O-N 3.02Å; Q844-T847 PolarHBondContact O-OG1 2.88Å
845	N	80.7	Confident	82.5	Confident	172 Å²	172	55.1 Å²	55.1	92%	0.92	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	118.8	-179.3	-78.7	-12.4	0	0	0	112.1
846	G	77.2	Confident	81.7	Confident	44 Å²	44	57.6 Å²	57.6	45%	0.454	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	4.6	179.8	0	0	0	0	0	116.1	K384 Q844	K384-G846 WeakPolarHBondContact CE-O 3.34Å; K384-G846 VanDerWaalsContact CG-O 3.25Å; K384-G846 WeakPolarHBondContact CG-O 3.43Å; Q844-G846 PolarHBondContact O-N 3.44Å; Q844-G846 VanDerWaalsContact O-N 3.14Å
847	T	81.5	Confident	81.1	Confident	12 Å²	12	61.1 Å²	61.1	7%	0.074	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-23.9	171.6	63.5	0	0	0	0	113.5	Y641 Q844	Y641-T847 WeakPolarHBondContact OH-CG2 3.47Å; Q844-T847 HydrophobicContact CB-CG2 4.04Å; Q844-T847 PolarHBondContact N-OG1 2.88Å; Q844-T847 WeakPolarHBondContact O-CB 3.36Å; Q844-T847 PolarHBondContact O-N 3.02Å; Q844-T847 PolarHBondContact O-OG1 2.88Å
848	A	82.4	Confident	80.6	Confident	41 Å²	41	66.9 Å²	66.9	34%	0.339	39%	0.388	S	S	.	.	S	Bend	trans	-59.1	153.2	178	0	0	0	0	0	113	K384 F843	K384-A848 WeakPolarHBondContact CA-O 3.48Å; F843-A848 HydrophobicContact CB-CB 4.3Å; F843-A848 HydrophobicContact CD2-CB 4.34Å; F843-A848 HydrophobicContact CG-CB 4.45Å
849	P	82.9	Confident	80.2	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.084	39%	0.391	C	S	.	.			trans	-70.1	139.4	178.7	30.2	-35.9	0	0	0	111.9	P380 C386 Y388 D851	P380-P849 HydrophobicContact CG-CG 4.49Å; C386-P849 VanDerWaalsContact O-CB 3.27Å; C386-P849 WeakPolarHBondContact O-CB 3.42Å; Y388-P849 HydrophobicContact CD2-CG 4.33Å; Y388-P849 HydrophobicContact CE1-CG 4.46Å; Y388-P849 HydrophobicContact CE2-CG 3.67Å; P849-D851 VanDerWaalsContact C-N 3.33Å
850	N	78.6	Confident	80	Confident	106 Å²	106	70.7 Å²	70.7	57%	0.567	40%	0.404	S	S	*	.	S	Bend	trans	-69	-31.5	177.6	-70.6	-7.2	0	0	0	112.7	K384 P852	K384-N850 WeakPolarHBondContact O-CB 3.12Å; K384-N850 PolarHBondContact O-N 2.71Å; N850-P852 WeakPolarHBondContact O-CD 3.38Å
851	D	74.2	Confident	80	Confident	76 Å²	76	72.7 Å²	72.7	41%	0.406	41%	0.414	S	S	.	.			trans	-110.8	73.2	-176.9	-58.7	-39.1	0	0	0	110.5	R557 P849 L853	R557-D851 IonicContact NH2-OD2 3.5Å; P849-D851 VanDerWaalsContact C-N 3.33Å; D851-L853 VanDerWaalsContact C-N 3.31Å; D851-L853 PolarHBondContact O-N 3.45Å
852	P	68.5	Low	80.2	Confident	61 Å²	61	68.4 Å²	68.4	40%	0.396	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.9	-173.7	28.9	-36.5	0	0	0	114.3	Y388 N850	Y388-P852 HydrophobicContact CE2-CB 4.39Å; N850-P852 WeakPolarHBondContact O-CD 3.38Å
853	L	65.3	Low	80.3	Confident	106 Å²	106	68.4 Å²	68.4	56%	0.555	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	7.1	-176.5	-103.7	93	0	0	0	115.1	D851 L855 G856 E858	D851-L853 VanDerWaalsContact C-N 3.31Å; D851-L853 PolarHBondContact O-N 3.45Å; L853-L855 PolarHBondContact O-N 3.48Å; L853-G856 PolarHBondContact O-N 2.75Å; L853-E858 HydrophobicContact CD1-CG 4.17Å
854	D	69.9	Low	80.4	Confident	108 Å²	108	68.3 Å²	68.3	58%	0.578	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.5	-177.6	-168	42.9	0	0	0	113.9	S387	S387-D854 WeakPolarHBondContact CB-OD2 3.33Å; S387-D854 PolarHBondContact OG-OD2 2.67Å
855	L	72.8	Confident	80.4	Confident	41 Å²	41	69.5 Å²	69.5	22%	0.215	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-3	176.9	-71.1	172.4	0	0	0	115	T377 K390 L853 Y857 V859	T377-L855 HydrophobicContact CG2-CD1 4.2Å; K390-L855 HydrophobicContact CD-CD2 4.48Å; K390-L855 HydrophobicContact CG-CD2 3.86Å; L853-L855 PolarHBondContact O-N 3.48Å; L855-Y857 HydrophobicContact CB-CD1 4.21Å; L855-Y857 HydrophobicContact CB-CE1 3.75Å; L855-Y857 VanDerWaalsContact O-CD1 3.26Å; L855-Y857 WeakPolarHBondContact O-CD1 3.32Å; L855-Y857 WeakPolarHBondContact O-CE1 3.49Å; L855-V859 HydrophobicContact CD1-CG2 4.16Å
856	G	72.6	Confident	80.8	Confident	67 Å²	67	63 Å²	63	69%	0.691	35%	0.348	S	S	*	.	S	Bend	trans	83.1	9.2	-179	0	0	0	0	0	115.8	L853	L853-G856 PolarHBondContact O-N 2.75Å
857	Y	79.9	Confident	81.4	Confident	83 Å²	83	62.2 Å²	62.2	33%	0.325	33%	0.331	S	S	.	.	S	Bend	trans	-155	160.6	175.9	58.5	-85	0	0	0	111	T377 L855 V859	T377-Y857 HydrophobicContact CG2-CE2 3.97Å; T377-Y857 WeakPolarHBondContact CG2-OH 3.24Å; L855-Y857 HydrophobicContact CB-CD1 4.21Å; L855-Y857 HydrophobicContact CB-CE1 3.75Å; L855-Y857 VanDerWaalsContact O-CD1 3.26Å; L855-Y857 WeakPolarHBondContact O-CD1 3.32Å; L855-Y857 WeakPolarHBondContact O-CE1 3.49Å; Y857-V859 HydrophobicContact CD2-CG2 4.39Å; Y857-V859 HydrophobicContact CE2-CG2 4.02Å
858	E	80.9	Confident	81.9	Confident	138 Å²	138	64.1 Å²	64.1	65%	0.645	34%	0.337	S	S	*	.			trans	-74.8	124.7	175.4	-68.3	-173.9	175.1	0	0	111.8	L853 Q860	L853-E858 HydrophobicContact CD1-CG 4.17Å; E858-Q860 PolarHBondContact O-N 3.01Å
859	V	85.1	Confident	82.4	Confident	13 Å²	13	65 Å²	65	8%	0.079	33%	0.334	C	S	.	.			trans	-90.4	104.3	178.5	-178	0	0	0	0	109.5	T377 Y388 V840 L855 Y857 I861 C862	T377-V859 HydrophobicContact CG2-CG1 4.19Å; T377-V859 HydrophobicContact CG2-CG2 4.17Å; Y388-V859 HydrophobicContact CD1-CG1 4.15Å; Y388-V859 HydrophobicContact CD2-CB 3.94Å; Y388-V859 HydrophobicContact CD2-CG1 4.35Å; Y388-V859 HydrophobicContact CD2-CG2 3.74Å; Y388-V859 HydrophobicContact CE1-CG1 4.18Å; Y388-V859 HydrophobicContact CE2-CB 3.91Å; Y388-V859 HydrophobicContact CE2-CG1 4.37Å; Y388-V859 HydrophobicContact CE2-CG2 4.22Å; Y388-V859 HydrophobicContact CG-CB 4.3Å; Y388-V859 HydrophobicContact CG-CG1 4.25Å; Y388-V859 HydrophobicContact CG-CG2 4.05Å; V840-V859 HydrophobicContact CG1-CG1 4.36Å; V840-V859 WeakPolarHBondContact CG1-O 3.44Å; V840-V859 VanDerWaalsContact CG2-O 3.28Å; V840-V859 WeakPolarHBondContact CG2-O 3.23Å; L855-V859 HydrophobicContact CD1-CG2 4.16Å; Y857-V859 HydrophobicContact CD2-CG2 4.39Å; Y857-V859 HydrophobicContact CE2-CG2 4.02Å; V859-I861 WeakPolarHBondContact CG1-O 3.4Å; V859-C862 HydrophobicContact CG1-CB 4.35Å
860	Q	87.8	Confident	82.8	Confident	119 Å²	119	65.8 Å²	65.8	56%	0.556	34%	0.339	S	S	*	.	S	Bend	trans	-83.6	-32.6	177.2	-64.9	-68	-28.7	0	0	112.9	N839 V840 E858	N839-Q860 PolarHBondContact OD1-O 2.67Å; V840-Q860 PolarHBondContact N-O 3.01Å; E858-Q860 PolarHBondContact O-N 3.01Å
861	I	90.4	Very high	83.5	Confident	74 Å²	74	62 Å²	62	38%	0.379	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.9	178.4	-60.9	177.2	0	0	0	108	T377 F838 V859	T377-I861 PolarHBondContact OG1-O 2.78Å; F838-I861 WeakPolarHBondContact O-CA 3.29Å; F838-I861 WeakPolarHBondContact O-CG2 3.25Å; V859-I861 WeakPolarHBondContact CG1-O 3.4Å
862	C	91.1	Very high	84.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.2	168.5	72.8	0	0	0	0	110.3	C379 Y388 F838 V859	C379-C862 VanDerWaalsContact CA-SG 3.51Å; C379-C862 HydrophobicContact CB-CB 3.98Å; C379-C862 WeakPolarHBondContact CB-SG 3.24Å; C379-C862 WeakPolarHBondContact SG-CB 3.46Å; C379-C862 CovalentContact SG-SG 2.05Å; C379-C862 PolarHBondContact SG-SG 2.82Å; Y388-C862 HydrophobicContact CD1-CB 4.12Å; Y388-C862 HydrophobicContact CE1-CB 4.02Å; F838-C862 PolarHBondContact N-O 2.91Å; F838-C862 PolarHBondContact O-N 2.7Å; V859-C862 HydrophobicContact CG1-CB 4.35Å
863	R	91.3	Very high	85.4	Confident	54 Å²	54	65.9 Å²	65.9	20%	0.204	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	152.7	179.4	-62.3	-137.3	-167.8	176.1	13.8	112.7	I376 T377 M378 C379 N832 L835 S836	I376-R863 HydrophobicContact CG2-CB 4.28Å; I376-R863 HydrophobicContact CG2-CG 4.19Å; T377-R863 WeakPolarHBondContact O-CB 3.29Å; T377-R863 PolarHBondContact O-N 3.31Å; M378-R863 WeakPolarHBondContact CA-O 3.39Å; M378-R863 WeakPolarHBondContact CE-O 3.46Å; M378-R863 HydrophobicContact SD-CB 3.85Å; C379-R863 PolarHBondContact N-O 3.24Å; C379-R863 PolarHBondContact SG-O 2.94Å; C379-R863 VanDerWaalsContact SG-O 3.39Å; N832-R863 PolarHBondContact O-NH1 3.09Å; N832-R863 VanDerWaalsContact OD1-CZ 3.28Å; N832-R863 PolarHBondContact OD1-NH1 3.41Å; N832-R863 PolarHBondContact OD1-NH2 2.77Å; L835-R863 HydrophobicContact CB-CB 4.31Å; L835-R863 PolarHBondContact O-NH1 3.22Å; S836-R863 WeakPolarHBondContact O-CA 3.42Å
864	Y	89.6	Confident	86.6	Confident	22 Å²	22	70.2 Å²	70.2	9%	0.086	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.6	176.6	66	-69.9	0	0	0	110.7	R635 P636 L835 S836 F838 D866 R868	R635-Y864 HydrophobicContact CB-CE2 4.36Å; P636-Y864 HydrophobicContact CG-CD1 3.91Å; P636-Y864 HydrophobicContact CG-CD2 4.04Å; P636-Y864 HydrophobicContact CG-CE1 4.25Å; P636-Y864 HydrophobicContact CG-CE2 4.33Å; P636-Y864 HydrophobicContact CG-CG 3.81Å; L835-Y864 WeakPolarHBondContact CA-O 3.36Å; S836-Y864 PolarHBondContact N-O 3.49Å; S836-Y864 PolarHBondContact O-N 3.28Å; S836-Y864 VanDerWaalsContact O-N 3.11Å; S836-Y864 WeakPolarHBondContact OG-CE1 3.35Å; S836-Y864 WeakPolarHBondContact OG-CE2 3.29Å; S836-Y864 VanDerWaalsContact OG-CZ 3.26Å; S836-Y864 PolarHBondContact OG-O 2.74Å; F838-Y864 HydrophobicContact CB-CD1 3.99Å; F838-Y864 HydrophobicContact CB-CE1 3.82Å; Y864-D866 HydrophobicContact CD2-CB 3.83Å; Y864-D866 HydrophobicContact CE2-CB 3.64Å; Y864-D866 PolarHBondContact O-N 3.35Å; Y864-R868 WeakPolarHBondContact OH-CD 3.49Å
865	K	86.4	Confident	87.6	Confident	109 Å²	109	70.2 Å²	70.2	47%	0.474	34%	0.344	S	S	.	.	S	Bend	trans	-90.6	84.3	-177.2	-174.6	177.7	175.7	-179.7	0	110.1	D810 T834 L835	D810-K865 IonicContact OD1-NZ 2.7Å; D810-K865 PolarHBondContact OD1-NZ 3.05Å; D810-K865 IonicContact OD2-NZ 2.75Å; D810-K865 PolarHBondContact OD2-NZ 3.22Å; T834-K865 HydrophobicContact CG2-CG 4.29Å; L835-K865 HydrophobicContact CD2-CB 4.32Å
866	D	87.6	Confident	88.5	Confident	36 Å²	36	73.5 Å²	73.5	19%	0.193	36%	0.357	C	S	.	.	S	Bend	trans	-152.9	157.8	169.5	-160.5	3.7	0	0	0	110.3	S836 Y864 R868	S836-D866 VanDerWaalsContact CB-O 3.24Å; S836-D866 WeakPolarHBondContact CB-O 3.31Å; S836-D866 PolarHBondContact OG-O 3.32Å; Y864-D866 HydrophobicContact CD2-CB 3.83Å; Y864-D866 HydrophobicContact CE2-CB 3.64Å; Y864-D866 PolarHBondContact O-N 3.35Å; D866-R868 PolarHBondContact O-N 3.28Å; D866-R868 WeakPolarHBondContact OD2-CD 3.4Å; D866-R868 IonicContact OD2-CZ 2.67Å; D866-R868 IonicContact OD2-NE 2.7Å; D866-R868 PolarHBondContact OD2-NE 3.4Å; D866-R868 IonicContact OD2-NH2 2.67Å; D866-R868 PolarHBondContact OD2-NH2 3Å
867	Y	90.3	Very high	89.3	Confident	28 Å²	28	70.6 Å²	70.6	11%	0.11	33%	0.325	C	S	.	.			trans	-95.5	78.3	-179	-69.1	-74.1	0	0	0	111	S880 D882 V886	Y867-S880 PolarHBondContact O-N 2.93Å; Y867-D882 HydrophobicContact CD1-CB 4.04Å; Y867-V886 HydrophobicContact CE2-CB 4.47Å; Y867-V886 HydrophobicContact CE2-CG1 4.29Å; Y867-V886 HydrophobicContact CE2-CG2 4.25Å
868	R	91.8	Very high	89.9	Confident	52 Å²	52	71 Å²	71	20%	0.196	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-127.7	150.3	-176.3	-72.3	176.6	-177.3	-79.9	-10.2	112.6	Y864 D866 Y877 D878	Y864-R868 WeakPolarHBondContact OH-CD 3.49Å; D866-R868 PolarHBondContact O-N 3.28Å; D866-R868 WeakPolarHBondContact OD2-CD 3.4Å; D866-R868 IonicContact OD2-CZ 2.67Å; D866-R868 IonicContact OD2-NE 2.7Å; D866-R868 PolarHBondContact OD2-NE 3.4Å; D866-R868 IonicContact OD2-NH2 2.67Å; D866-R868 PolarHBondContact OD2-NH2 3Å; R868-Y877 WeakPolarHBondContact CD-O 3.3Å; R868-Y877 PolarHBondContact NH1-O 3.42Å; R868-D878 VanDerWaalsContact CA-O 3.26Å; R868-D878 WeakPolarHBondContact CA-O 3.43Å; R868-D878 WeakPolarHBondContact CB-O 3.09Å
869	E	92.7	Very high	90.4	Very high	59 Å²	59	67.2 Å²	67.2	28%	0.276	32%	0.317	S	S	.	.			trans	-64.2	142.9	177	-65.1	-60	153.9	0	0	111.6	S873 Y877 D878 S880	E869-S873 WeakPolarHBondContact CB-OG 3.14Å; E869-Y877 PolarHBondContact O-N 2.9Å; E869-D878 PolarHBondContact N-O 3.48Å; E869-S880 WeakPolarHBondContact OE1-CA 3.13Å; E869-S880 WeakPolarHBondContact OE1-CB 3.32Å; E869-S880 PolarHBondContact OE1-OG 3.35Å
870	P	92.9	Very high	90.7	Very high	30 Å²	30	67.1 Å²	67.1	20%	0.195	32%	0.317	C	S	.	.			trans	-71.4	161.1	-174.9	30.5	-36.1	0	0	0	112.4	W872 S873	P870-W872 HydrophobicContact CB-CD2 3.86Å; P870-W872 VanDerWaalsContact CB-CE2 3.45Å; P870-W872 HydrophobicContact CB-CE3 4.18Å; P870-W872 HydrophobicContact CB-CH2 3.77Å; P870-W872 HydrophobicContact CB-CZ2 3.41Å; P870-W872 VanDerWaalsContact CB-CZ2 3.41Å; P870-W872 HydrophobicContact CB-CZ3 4.14Å; P870-W872 HydrophobicContact CG-CD2 4.29Å; P870-W872 HydrophobicContact CG-CZ2 3.87Å; P870-W872 PolarHBondContact O-N 3.04Å; P870-W872 VanDerWaalsContact O-N 3.1Å; P870-S873 WeakPolarHBondContact O-CB 3.31Å; P870-S873 PolarHBondContact O-N 2.91Å; P870-S873 PolarHBondContact O-OG 3.14Å
871	P	91.9	Very high	90.9	Very high	27 Å²	27	69.9 Å²	69.9	18%	0.175	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.3	-173	24.6	-34	0	0	0	115.2	S837 N839 Y877	S837-P871 WeakPolarHBondContact O-CD 3.24Å; N839-P871 HydrophobicContact CB-CB 4.31Å; P871-Y877 HydrophobicContact CB-CE1 3.82Å; P871-Y877 HydrophobicContact CG-CE1 4.45Å
872	W	90.6	Very high	90.9	Very high	184 Å²	184	68.3 Å²	68.3	70%	0.697	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	3.9	176.3	57.6	79	0	0	0	113.8	P870	P870-W872 HydrophobicContact CB-CD2 3.86Å; P870-W872 VanDerWaalsContact CB-CE2 3.45Å; P870-W872 HydrophobicContact CB-CE3 4.18Å; P870-W872 HydrophobicContact CB-CH2 3.77Å; P870-W872 HydrophobicContact CB-CZ2 3.41Å; P870-W872 VanDerWaalsContact CB-CZ2 3.41Å; P870-W872 HydrophobicContact CB-CZ3 4.14Å; P870-W872 HydrophobicContact CG-CD2 4.29Å; P870-W872 HydrophobicContact CG-CZ2 3.87Å; P870-W872 PolarHBondContact O-N 3.04Å; P870-W872 VanDerWaalsContact O-N 3.1Å
873	S	92.8	Very high	91	Very high	34 Å²	34	71 Å²	71	24%	0.238	33%	0.331	C	S	.	.	S	Bend	trans	-83.3	159.9	171.8	67.9	0	0	0	0	111.4	E869 P870 N875	E869-S873 WeakPolarHBondContact CB-OG 3.14Å; P870-S873 WeakPolarHBondContact O-CB 3.31Å; P870-S873 PolarHBondContact O-N 2.91Å; P870-S873 PolarHBondContact O-OG 3.14Å; S873-N875 VanDerWaalsContact C-N 3.3Å; S873-N875 PolarHBondContact O-N 2.94Å
874	E	91.1	Very high	91.1	Very high	196 Å²	196	75.6 Å²	75.6	92%	0.916	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-40.8	175.9	-62.9	-178.7	162.8	0	0	111.8	K876	E874-K876 PolarHBondContact O-N 2.66Å
875	N	90.9	Very high	91.4	Very high	109 Å²	109	75.9 Å²	75.9	58%	0.583	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	62	179.4	-66.1	-24.9	0	0	0	111.3	S873 Y877 D878	S873-N875 VanDerWaalsContact C-N 3.3Å; S873-N875 PolarHBondContact O-N 2.94Å; N875-Y877 PolarHBondContact O-N 2.71Å; N875-D878 HydrophobicContact CB-CB 4.23Å; N875-D878 PolarHBondContact O-N 3.34Å
876	K	90.3	Very high	91.7	Very high	110 Å²	110	70.9 Å²	70.9	48%	0.478	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	127.9	-174.2	71.6	171.8	-170.7	166.3	0	112.9	D842 E874 D878	D842-K876 IonicContact OD1-NZ 2.79Å; D842-K876 PolarHBondContact OD1-NZ 3.45Å; E874-K876 PolarHBondContact O-N 2.66Å; K876-D878 PolarHBondContact O-N 3.07Å; K876-D878 VanDerWaalsContact O-N 3.15Å
877	Y	89.7	Confident	92	Very high	5 Å²	5	71.2 Å²	71.2	2%	0.02	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	8.4	176.7	-45.5	-56.6	0	0	0	116.9	F838 N839 D842 R868 E869 P871 N875	F838-Y877 HydrophobicContact CD2-CD1 4.24Å; F838-Y877 AromaticContact CD2-CE1 3.58Å; F838-Y877 HydrophobicContact CD2-CE1 3.58Å; F838-Y877 HydrophobicContact CD2-CE2 4.43Å; F838-Y877 AromaticContact CD2-CZ 3.66Å; F838-Y877 HydrophobicContact CE2-CE1 4.18Å; F838-Y877 HydrophobicContact CE2-CE2 4.22Å; F838-Y877 AromaticContact CE2-CZ 3.83Å; N839-Y877 WeakPolarHBondContact CB-OH 3.3Å; N839-Y877 PolarHBondContact N-OH 2.88Å; D842-Y877 HydrophobicContact CB-CE2 4.11Å; D842-Y877 VanDerWaalsContact OD2-CE2 3.3Å; D842-Y877 WeakPolarHBondContact OD2-CE2 3.09Å; D842-Y877 PolarHBondContact OD2-OH 3.39Å; R868-Y877 WeakPolarHBondContact CD-O 3.3Å; R868-Y877 PolarHBondContact NH1-O 3.42Å; E869-Y877 PolarHBondContact O-N 2.9Å; P871-Y877 HydrophobicContact CB-CE1 3.82Å; P871-Y877 HydrophobicContact CG-CE1 4.45Å; N875-Y877 PolarHBondContact O-N 2.71Å
878	D	91.8	Very high	92.3	Very high	91 Å²	91	72.7 Å²	72.7	49%	0.487	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-72.4	164.7	174.1	-158.4	6.7	0	0	0	111.4	R868 E869 N875 K876 S880	R868-D878 VanDerWaalsContact CA-O 3.26Å; R868-D878 WeakPolarHBondContact CA-O 3.43Å; R868-D878 WeakPolarHBondContact CB-O 3.09Å; E869-D878 PolarHBondContact N-O 3.48Å; N875-D878 HydrophobicContact CB-CB 4.23Å; N875-D878 PolarHBondContact O-N 3.34Å; K876-D878 PolarHBondContact O-N 3.07Å; K876-D878 VanDerWaalsContact O-N 3.15Å; D878-S880 PolarHBondContact O-N 3.37Å
879	I	91.7	Very high	92.5	Very high	60 Å²	60	71.7 Å²	71.7	31%	0.308	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-68	118.7	-179.5	-61.8	179.2	0	0	0	109.3	F883	I879-F883 HydrophobicContact CG2-CB 3.48Å; I879-F883 VanDerWaalsContact CG2-CB 3.48Å; I879-F883 HydrophobicContact CG2-CD1 3.39Å; I879-F883 HydrophobicContact CG2-CD2 4.35Å; I879-F883 HydrophobicContact CG2-CE1 4.2Å; I879-F883 HydrophobicContact CG2-CG 3.49Å; I879-F883 VanDerWaalsContact CG2-CG 3.49Å
880	S	92.1	Very high	92.6	Very high	11 Å²	11	70.7 Å²	70.7	8%	0.077	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-72.7	161.8	-178.6	-173.8	0	0	0	0	112.2	Y867 E869 D878 D882 F883	Y867-S880 PolarHBondContact O-N 2.93Å; E869-S880 WeakPolarHBondContact OE1-CA 3.13Å; E869-S880 WeakPolarHBondContact OE1-CB 3.32Å; E869-S880 PolarHBondContact OE1-OG 3.35Å; D878-S880 PolarHBondContact O-N 3.37Å; S880-D882 PolarHBondContact O-N 3.33Å; S880-F883 WeakPolarHBondContact O-CB 3.5Å; S880-F883 PolarHBondContact O-N 3.31Å; S880-F883 VanDerWaalsContact O-N 3.16Å
881	K	91.6	Very high	92.7	Very high	176 Å²	176	73.1 Å²	73.1	77%	0.765	36%	0.361	S	S	*	.	H	α-helix	trans	-55.7	-32.8	171.5	-65.6	178.6	-177.1	173.2	0	111.9	F883 W884 A885	K881-F883 VanDerWaalsContact C-N 3.3Å; K881-F883 PolarHBondContact O-N 2.64Å; K881-W884 PolarHBondContact O-N 3.07Å; K881-W884 VanDerWaalsContact O-N 3.16Å; K881-A885 PolarHBondContact O-N 3.12Å
882	D	91.3	Very high	93	Very high	41 Å²	41	74.3 Å²	74.3	22%	0.219	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-34.7	-179.2	-59.7	-13	0	0	0	112.2	Y821 H833 Y867 S880 W884 A885 V886	Y821-D882 VanDerWaalsContact CE1-OD1 3.3Å; Y821-D882 WeakPolarHBondContact CE1-OD1 3.18Å; Y821-D882 VanDerWaalsContact CZ-OD1 3.31Å; Y821-D882 VanDerWaalsContact OH-CG 3.26Å; Y821-D882 PolarHBondContact OH-OD1 3.25Å; H833-D882 IonicContact CE1-OD2 3.56Å; H833-D882 IonicContact NE2-OD2 3.9Å; Y867-D882 HydrophobicContact CD1-CB 4.04Å; S880-D882 PolarHBondContact O-N 3.33Å; D882-W884 VanDerWaalsContact C-N 3.34Å; D882-W884 PolarHBondContact O-N 3.38Å; D882-A885 PolarHBondContact O-N 3.15Å; D882-V886 WeakPolarHBondContact O-CB 3.46Å; D882-V886 WeakPolarHBondContact O-CG2 3.3Å; D882-V886 PolarHBondContact O-N 2.92Å
883	F	92.2	Very high	93.2	Very high	56 Å²	56	67.5 Å²	67.5	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-48.1	173.5	178.9	-93.5	0	0	0	111.1	I879 S880 K881 V886 L887	I879-F883 HydrophobicContact CG2-CB 3.48Å; I879-F883 VanDerWaalsContact CG2-CB 3.48Å; I879-F883 HydrophobicContact CG2-CD1 3.39Å; I879-F883 HydrophobicContact CG2-CD2 4.35Å; I879-F883 HydrophobicContact CG2-CE1 4.2Å; I879-F883 HydrophobicContact CG2-CG 3.49Å; I879-F883 VanDerWaalsContact CG2-CG 3.49Å; S880-F883 WeakPolarHBondContact O-CB 3.5Å; S880-F883 PolarHBondContact O-N 3.31Å; S880-F883 VanDerWaalsContact O-N 3.16Å; K881-F883 VanDerWaalsContact C-N 3.3Å; K881-F883 PolarHBondContact O-N 2.64Å; F883-V886 PolarHBondContact O-N 3.26Å; F883-L887 HydrophobicContact CE1-CD2 3.87Å; F883-L887 HydrophobicContact CZ-CD2 4.42Å; F883-L887 VanDerWaalsContact O-CB 3.27Å; F883-L887 WeakPolarHBondContact O-CB 3.36Å; F883-L887 PolarHBondContact O-N 3.38Å
884	W	94.6	Very high	93.4	Very high	152 Å²	152	66.2 Å²	66.2	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-69.2	-38	-178.1	-66.3	105.3	0	0	0	111.9	K881 D882 L887 A888	K881-W884 PolarHBondContact O-N 3.07Å; K881-W884 VanDerWaalsContact O-N 3.16Å; D882-W884 VanDerWaalsContact C-N 3.34Å; D882-W884 PolarHBondContact O-N 3.38Å; W884-L887 HydrophobicContact CE3-CD2 4.14Å; W884-L887 HydrophobicContact CZ3-CD2 4.07Å; W884-L887 PolarHBondContact O-N 2.78Å; W884-A888 VanDerWaalsContact O-CB 3.28Å; W884-A888 WeakPolarHBondContact O-CB 3.36Å; W884-A888 PolarHBondContact O-N 3.45Å
885	A	94.3	Very high	93.7	Very high	28 Å²	28	61.7 Å²	61.7	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-48.5	173.2	0	0	0	0	0	111.7	K881 D882 A888 A889	K881-A885 PolarHBondContact O-N 3.12Å; D882-A885 PolarHBondContact O-N 3.15Å; A885-A888 PolarHBondContact O-N 3.33Å; A885-A889 WeakPolarHBondContact O-CB 3.35Å; A885-A889 PolarHBondContact O-N 2.9Å
886	V	93.7	Very high	93.9	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-40.2	176.8	173.1	0	0	0	0	111.4	P813 V816 Y867 D882 F883 A889 R890	P813-V886 HydrophobicContact CG-CG1 4.14Å; V816-V886 HydrophobicContact CB-CG2 4.35Å; V816-V886 HydrophobicContact CG1-CG2 3.99Å; Y867-V886 HydrophobicContact CE2-CB 4.47Å; Y867-V886 HydrophobicContact CE2-CG1 4.29Å; Y867-V886 HydrophobicContact CE2-CG2 4.25Å; D882-V886 WeakPolarHBondContact O-CB 3.46Å; D882-V886 WeakPolarHBondContact O-CG2 3.3Å; D882-V886 PolarHBondContact O-N 2.92Å; F883-V886 PolarHBondContact O-N 3.26Å; V886-A889 PolarHBondContact O-N 3.32Å; V886-R890 WeakPolarHBondContact O-CB 3.44Å; V886-R890 VanDerWaalsContact O-CG 3.26Å; V886-R890 WeakPolarHBondContact O-CG 3.3Å; V886-R890 PolarHBondContact O-N 2.88Å
887	L	94	Very high	94.2	Very high	42 Å²	42	56.5 Å²	56.5	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-42.2	177.6	-178.1	60.2	0	0	0	112.1	F807 F883 W884 R890 L891	F807-L887 HydrophobicContact CE1-CD1 4.03Å; F807-L887 HydrophobicContact CZ-CD1 4.4Å; F883-L887 HydrophobicContact CE1-CD2 3.87Å; F883-L887 HydrophobicContact CZ-CD2 4.42Å; F883-L887 VanDerWaalsContact O-CB 3.27Å; F883-L887 WeakPolarHBondContact O-CB 3.36Å; F883-L887 PolarHBondContact O-N 3.38Å; W884-L887 HydrophobicContact CE3-CD2 4.14Å; W884-L887 HydrophobicContact CZ3-CD2 4.07Å; W884-L887 PolarHBondContact O-N 2.78Å; L887-R890 WeakPolarHBondContact O-CB 3.38Å; L887-R890 PolarHBondContact O-N 3.47Å; L887-L891 HydrophobicContact CD1-CD1 4.48Å; L887-L891 HydrophobicContact CD1-CG 4.49Å; L887-L891 HydrophobicContact CG-CD1 4.41Å; L887-L891 WeakPolarHBondContact O-CG 3.19Å; L887-L891 PolarHBondContact O-N 2.82Å
888	A	95.9	Very high	94.4	Very high	59 Å²	59	59.2 Å²	59.2	49%	0.488	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-45.4	174.6	0	0	0	0	0	111.3	W884 A885 R890 L891 A892	W884-A888 VanDerWaalsContact O-CB 3.28Å; W884-A888 WeakPolarHBondContact O-CB 3.36Å; W884-A888 PolarHBondContact O-N 3.45Å; A885-A888 PolarHBondContact O-N 3.33Å; A888-R890 VanDerWaalsContact C-N 3.34Å; A888-R890 PolarHBondContact O-N 3.3Å; A888-L891 PolarHBondContact O-N 3.46Å; A888-A892 VanDerWaalsContact O-CB 3.31Å; A888-A892 WeakPolarHBondContact O-CB 3.33Å; A888-A892 PolarHBondContact O-N 3.21Å
889	A	96.1	Very high	94.6	Very high	32 Å²	32	59.8 Å²	59.8	26%	0.264	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-39.7	175.7	0	0	0	0	0	112.6	I812 V816 A885 V886 F893	I812-A889 HydrophobicContact CG2-CB 3.9Å; V816-A889 HydrophobicContact CG2-CB 3.52Å; A885-A889 WeakPolarHBondContact O-CB 3.35Å; A885-A889 PolarHBondContact O-N 2.9Å; V886-A889 PolarHBondContact O-N 3.32Å; A889-F893 WeakPolarHBondContact O-CB 3.45Å; A889-F893 PolarHBondContact O-N 2.98Å
890	R	95.3	Very high	94.8	Very high	37 Å²	37	61.5 Å²	61.5	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-49.4	174.6	-77.3	176	159.7	148.4	-3.3	112.2	S806 F807 I812 V886 L887 A888 F893 V894	S806-R890 WeakPolarHBondContact O-CD 3.28Å; S806-R890 VanDerWaalsContact O-CG 3.29Å; S806-R890 WeakPolarHBondContact O-CG 3.49Å; S806-R890 PolarHBondContact O-NE 3.48Å; F807-R890 HydrophobicContact CE1-CB 4.5Å; F807-R890 HydrophobicContact CZ-CB 4.4Å; I812-R890 HydrophobicContact CB-CG 4.1Å; I812-R890 HydrophobicContact CG1-CG 4.49Å; I812-R890 HydrophobicContact CG2-CG 3.81Å; V886-R890 WeakPolarHBondContact O-CB 3.44Å; V886-R890 VanDerWaalsContact O-CG 3.26Å; V886-R890 WeakPolarHBondContact O-CG 3.3Å; V886-R890 PolarHBondContact O-N 2.88Å; L887-R890 WeakPolarHBondContact O-CB 3.38Å; L887-R890 PolarHBondContact O-N 3.47Å; A888-R890 VanDerWaalsContact C-N 3.34Å; A888-R890 PolarHBondContact O-N 3.3Å; R890-F893 PolarHBondContact O-N 3.41Å; R890-V894 WeakPolarHBondContact O-CG2 3.42Å; R890-V894 PolarHBondContact O-N 3.34Å; R890-V894 VanDerWaalsContact O-N 3.09Å
891	L	96	Very high	95	Very high	82 Å²	82	61 Å²	61	43%	0.429	32%	0.322	S	S	.	.	H	α-helix	trans	-66.8	-41.6	179.8	-67.5	174	0	0	0	111.7	F807 L887 A888 F893 V894 I895	F807-L891 HydrophobicContact CE2-CD2 4.46Å; F807-L891 HydrophobicContact CZ-CD2 4Å; L887-L891 HydrophobicContact CD1-CD1 4.48Å; L887-L891 HydrophobicContact CD1-CG 4.49Å; L887-L891 HydrophobicContact CG-CD1 4.41Å; L887-L891 WeakPolarHBondContact O-CG 3.19Å; L887-L891 PolarHBondContact O-N 2.82Å; A888-L891 PolarHBondContact O-N 3.46Å; L891-F893 PolarHBondContact O-N 3.19Å; L891-V894 PolarHBondContact O-N 3.38Å; L891-I895 WeakPolarHBondContact O-CG1 3.13Å; L891-I895 PolarHBondContact O-N 3.37Å
892	A	96.6	Very high	95.1	Very high	51 Å²	51	55.1 Å²	55.1	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-44.1	174.6	0	0	0	0	0	111.7	A888 V894 I895 V896	A888-A892 VanDerWaalsContact O-CB 3.31Å; A888-A892 WeakPolarHBondContact O-CB 3.33Å; A888-A892 PolarHBondContact O-N 3.21Å; A892-V894 PolarHBondContact O-N 2.96Å; A892-I895 PolarHBondContact O-N 3.47Å; A892-V896 WeakPolarHBondContact O-CG2 3.47Å; A892-V896 PolarHBondContact O-N 3.36Å
893	F	95.9	Very high	95.3	Very high	41 Å²	41	60 Å²	60	18%	0.18	32%	0.317	C	S	.	.	H	α-helix	trans	-59.8	-45.4	175.2	178.9	-89.9	0	0	0	112.2	V410 I805 F811 I812 A889 R890 L891 I895 V896 F897	V410-F893 HydrophobicContact CG1-CZ 4.26Å; I805-F893 HydrophobicContact CB-CE1 3.96Å; I805-F893 HydrophobicContact CB-CZ 4.43Å; I805-F893 HydrophobicContact CG2-CE1 3.57Å; I805-F893 HydrophobicContact CG2-CZ 3.66Å; F811-F893 HydrophobicContact CE1-CE2 4.32Å; I812-F893 HydrophobicContact CD1-CB 3.79Å; I812-F893 HydrophobicContact CD1-CD1 4.15Å; I812-F893 HydrophobicContact CD1-CD2 3.63Å; I812-F893 HydrophobicContact CD1-CE2 4.24Å; I812-F893 HydrophobicContact CD1-CG 3.57Å; I812-F893 HydrophobicContact CG1-CB 4.5Å; I812-F893 HydrophobicContact CG1-CG 4.43Å; A889-F893 WeakPolarHBondContact O-CB 3.45Å; A889-F893 PolarHBondContact O-N 2.98Å; R890-F893 PolarHBondContact O-N 3.41Å; L891-F893 PolarHBondContact O-N 3.19Å; F893-I895 VanDerWaalsContact C-N 3.34Å; F893-I895 PolarHBondContact O-N 3.38Å; F893-V896 PolarHBondContact O-N 3.12Å; F893-F897 HydrophobicContact CD1-CB 4.37Å; F893-F897 HydrophobicContact CE1-CB 4.04Å; F893-F897 HydrophobicContact CE1-CD2 4.01Å; F893-F897 HydrophobicContact CE1-CG 4.16Å; F893-F897 HydrophobicContact CE2-CD2 4.48Å; F893-F897 HydrophobicContact CZ-CB 4.24Å; F893-F897 AromaticContact CZ-CD2 3.67Å; F893-F897 HydrophobicContact CZ-CD2 3.67Å; F893-F897 HydrophobicContact CZ-CE2 4.4Å; F893-F897 HydrophobicContact CZ-CG 4.24Å; F893-F897 WeakPolarHBondContact O-CB 3.41Å; F893-F897 PolarHBondContact O-N 3.19Å
894	V	96.4	Very high	95.4	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-58.4	-46.3	177.4	172.8	0	0	0	0	111	A802 F803 S806 F807 R890 L891 A892 Q898	A802-V894 HydrophobicContact CB-CG1 4.2Å; A802-V894 HydrophobicContact CB-CG2 4.43Å; F803-V894 HydrophobicContact CE2-CG1 4.25Å; F803-V894 HydrophobicContact CZ-CG1 4.22Å; S806-V894 WeakPolarHBondContact OG-CG2 3.47Å; F807-V894 HydrophobicContact CE2-CG2 4.45Å; R890-V894 WeakPolarHBondContact O-CG2 3.42Å; R890-V894 PolarHBondContact O-N 3.34Å; R890-V894 VanDerWaalsContact O-N 3.09Å; L891-V894 PolarHBondContact O-N 3.38Å; A892-V894 PolarHBondContact O-N 2.96Å; V894-Q898 WeakPolarHBondContact O-CB 3.44Å; V894-Q898 PolarHBondContact O-N 2.93Å
895	I	96.4	Very high	95.3	Very high	101 Å²	101	53.9 Å²	53.9	52%	0.518	30%	0.298	S	S	.	.	H	α-helix	trans	-62.8	-47.1	179.9	-66	165.7	0	0	0	110.9	L891 A892 F893 N899	L891-I895 WeakPolarHBondContact O-CG1 3.13Å; L891-I895 PolarHBondContact O-N 3.37Å; A892-I895 PolarHBondContact O-N 3.47Å; F893-I895 VanDerWaalsContact C-N 3.34Å; F893-I895 PolarHBondContact O-N 3.38Å; I895-N899 WeakPolarHBondContact O-CB 3.33Å; I895-N899 PolarHBondContact O-N 3.03Å; I895-N899 VanDerWaalsContact O-N 3.16Å; I895-N899 PolarHBondContact O-ND2 3.4Å
896	V	96.3	Very high	95.2	Very high	96 Å²	96	55.8 Å²	55.8	58%	0.582	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-49.6	-179.8	172.6	0	0	0	0	111	A892 F893 L900	A892-V896 WeakPolarHBondContact O-CG2 3.47Å; A892-V896 PolarHBondContact O-N 3.36Å; F893-V896 PolarHBondContact O-N 3.12Å; V896-L900 VanDerWaalsContact O-CB 3.23Å; V896-L900 WeakPolarHBondContact O-CB 3.38Å; V896-L900 PolarHBondContact O-N 3.44Å
897	F	95.6	Very high	95.2	Very high	13 Å²	13	60.4 Å²	60.4	6%	0.057	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-47.8	-179.6	-175.2	-81.1	0	0	0	111.4	V414 V798 A802 I805 F893 V901	V414-F897 HydrophobicContact CG2-CD2 4.49Å; V414-F897 HydrophobicContact CG2-CE2 3.66Å; V414-F897 HydrophobicContact CG2-CZ 4.1Å; V798-F897 HydrophobicContact CG1-CE1 4.47Å; A802-F897 HydrophobicContact CB-CB 4.49Å; A802-F897 HydrophobicContact CB-CD1 3.6Å; A802-F897 HydrophobicContact CB-CE1 4.16Å; A802-F897 HydrophobicContact CB-CG 4.3Å; I805-F897 HydrophobicContact CD1-CE2 4.05Å; I805-F897 HydrophobicContact CD1-CZ 4.12Å; F893-F897 HydrophobicContact CD1-CB 4.37Å; F893-F897 HydrophobicContact CE1-CB 4.04Å; F893-F897 HydrophobicContact CE1-CD2 4.01Å; F893-F897 HydrophobicContact CE1-CG 4.16Å; F893-F897 HydrophobicContact CE2-CD2 4.48Å; F893-F897 HydrophobicContact CZ-CB 4.24Å; F893-F897 AromaticContact CZ-CD2 3.67Å; F893-F897 HydrophobicContact CZ-CD2 3.67Å; F893-F897 HydrophobicContact CZ-CE2 4.4Å; F893-F897 HydrophobicContact CZ-CG 4.24Å; F893-F897 WeakPolarHBondContact O-CB 3.41Å; F893-F897 PolarHBondContact O-N 3.19Å; F897-V901 HydrophobicContact CD1-CG2 4.08Å; F897-V901 HydrophobicContact CD2-CG2 4.4Å; F897-V901 HydrophobicContact CE1-CB 4.47Å; F897-V901 HydrophobicContact CE1-CG2 3.94Å; F897-V901 HydrophobicContact CE2-CG2 4.26Å; F897-V901 HydrophobicContact CG-CG2 4.33Å; F897-V901 HydrophobicContact CZ-CG2 4.03Å; F897-V901 VanDerWaalsContact O-CB 3.31Å; F897-V901 WeakPolarHBondContact O-CB 3.46Å; F897-V901 VanDerWaalsContact O-CG2 3.27Å; F897-V901 WeakPolarHBondContact O-CG2 3.27Å; F897-V901 PolarHBondContact O-N 3.21Å
898	Q	95.6	Very high	95.1	Very high	63 Å²	63	59.7 Å²	59.7	29%	0.294	32%	0.322	S	S	.	.	H	α-helix	trans	-60.5	-50	-179.4	-179.9	-178	-18.4	0	0	111.5	V894 M902	V894-Q898 WeakPolarHBondContact O-CB 3.44Å; V894-Q898 PolarHBondContact O-N 2.93Å; Q898-M902 HydrophobicContact CG-CG 4.36Å; Q898-M902 WeakPolarHBondContact O-CB 3.43Å; Q898-M902 WeakPolarHBondContact O-CG 3.35Å; Q898-M902 PolarHBondContact O-N 3.11Å
899	N	95.4	Very high	94.9	Very high	103 Å²	103	59 Å²	59	55%	0.551	31%	0.31	S	S	*	.	H	α-helix	trans	-66.8	-43.7	-177.7	-75.1	-65.9	0	0	0	111.8	I895 F903	I895-N899 WeakPolarHBondContact O-CB 3.33Å; I895-N899 PolarHBondContact O-N 3.03Å; I895-N899 VanDerWaalsContact O-N 3.16Å; I895-N899 PolarHBondContact O-ND2 3.4Å; N899-F903 VanDerWaalsContact O-CB 3.27Å; N899-F903 WeakPolarHBondContact O-CB 3.34Å; N899-F903 PolarHBondContact O-N 2.91Å
900	L	96.1	Very high	94.7	Very high	95 Å²	95	67.4 Å²	67.4	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-62.4	-51.5	178.7	179.7	63.1	0	0	0	111.6	V896 F903 M904	V896-L900 VanDerWaalsContact O-CB 3.23Å; V896-L900 WeakPolarHBondContact O-CB 3.38Å; V896-L900 PolarHBondContact O-N 3.44Å; L900-F903 PolarHBondContact O-N 3.42Å; L900-M904 HydrophobicContact CD1-CG 4.34Å; L900-M904 HydrophobicContact CD1-SD 4.16Å; L900-M904 HydrophobicContact CG-SD 4.08Å; L900-M904 VanDerWaalsContact O-CG 3.29Å; L900-M904 WeakPolarHBondContact O-CG 3.34Å; L900-M904 PolarHBondContact O-N 3.31Å
901	V	95.5	Very high	94.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-69.8	-38.6	-175.7	177.4	0	0	0	0	111.3	V414 A417 V798 F897 M904 S905	V414-V901 HydrophobicContact CG1-CG2 4.32Å; V414-V901 HydrophobicContact CG2-CG2 3.98Å; A417-V901 HydrophobicContact CB-CG1 3.33Å; V798-V901 HydrophobicContact CB-CG1 4.43Å; V798-V901 HydrophobicContact CG1-CB 3.74Å; V798-V901 HydrophobicContact CG1-CG1 3.65Å; V798-V901 HydrophobicContact CG2-CG1 3.93Å; F897-V901 HydrophobicContact CD1-CG2 4.08Å; F897-V901 HydrophobicContact CD2-CG2 4.4Å; F897-V901 HydrophobicContact CE1-CB 4.47Å; F897-V901 HydrophobicContact CE1-CG2 3.94Å; F897-V901 HydrophobicContact CE2-CG2 4.26Å; F897-V901 HydrophobicContact CG-CG2 4.33Å; F897-V901 HydrophobicContact CZ-CG2 4.03Å; F897-V901 VanDerWaalsContact O-CB 3.31Å; F897-V901 WeakPolarHBondContact O-CB 3.46Å; F897-V901 VanDerWaalsContact O-CG2 3.27Å; F897-V901 WeakPolarHBondContact O-CG2 3.27Å; F897-V901 PolarHBondContact O-N 3.21Å; V901-M904 PolarHBondContact O-N 2.05Å; V901-S905 WeakPolarHBondContact O-CB 3.35Å; V901-S905 PolarHBondContact O-N 2.82Å; V901-S905 PolarHBondContact O-OG 3Å; V901-S905 VanDerWaalsContact O-OG 3.09Å
902	M	93.9	Very high	94.4	Very high	53 Å²	53	67.3 Å²	67.3	26%	0.261	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-45.5	172.4	-74.5	-77.3	-75.2	0	0	111.8	K795 V798 Q898 S905 D906	K795-M902 HydrophobicContact CB-SD 4.47Å; K795-M902 HydrophobicContact CD-CE 4.37Å; K795-M902 HydrophobicContact CG-CE 4.48Å; K795-M902 HydrophobicContact CG-SD 4.33Å; V798-M902 HydrophobicContact CB-SD 4.39Å; V798-M902 HydrophobicContact CG1-CG 4.1Å; V798-M902 HydrophobicContact CG2-SD 4.38Å; Q898-M902 HydrophobicContact CG-CG 4.36Å; Q898-M902 WeakPolarHBondContact O-CB 3.43Å; Q898-M902 WeakPolarHBondContact O-CG 3.35Å; Q898-M902 PolarHBondContact O-N 3.11Å; M902-S905 PolarHBondContact O-N 3.39Å; M902-D906 PolarHBondContact O-N 2.91Å
903	F	95.6	Very high	94.1	Very high	142 Å²	142	68.7 Å²	68.7	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-60.7	-45.7	176.3	173.8	-100.2	0	0	0	111.9	N899 L900 S905 D906 F907	N899-F903 VanDerWaalsContact O-CB 3.27Å; N899-F903 WeakPolarHBondContact O-CB 3.34Å; N899-F903 PolarHBondContact O-N 2.91Å; L900-F903 PolarHBondContact O-N 3.42Å; F903-S905 VanDerWaalsContact C-N 3.35Å; F903-S905 PolarHBondContact O-N 3.17Å; F903-D906 PolarHBondContact O-N 2.6Å; F903-F907 VanDerWaalsContact O-CB 3.25Å; F903-F907 WeakPolarHBondContact O-CB 3.46Å; F903-F907 PolarHBondContact O-N 3.12Å
904	M	94.3	Very high	93.7	Very high	65 Å²	65	70.8 Å²	70.8	32%	0.32	36%	0.358	S	S	.	.	H	α-helix	trans	-65.2	-36.5	177.3	-64.1	174.7	73.9	0	0	112.4	L418 L900 V901 F907 V908	L418-M904 HydrophobicContact CD1-CE 3.92Å; L418-M904 HydrophobicContact CD2-CB 3.68Å; L418-M904 HydrophobicContact CD2-CE 4.39Å; L900-M904 HydrophobicContact CD1-CG 4.34Å; L900-M904 HydrophobicContact CD1-SD 4.16Å; L900-M904 HydrophobicContact CG-SD 4.08Å; L900-M904 VanDerWaalsContact O-CG 3.29Å; L900-M904 WeakPolarHBondContact O-CG 3.34Å; L900-M904 PolarHBondContact O-N 3.31Å; V901-M904 PolarHBondContact O-N 2.05Å; M904-F907 PolarHBondContact O-N 3.39Å; M904-V908 WeakPolarHBondContact O-CG2 3.5Å; M904-V908 PolarHBondContact O-N 3.09Å; M904-V908 VanDerWaalsContact O-N 3.08Å
905	S	91.9	Very high	93.3	Very high	16 Å²	16	74.7 Å²	74.7	11%	0.112	38%	0.378	C	S	.	.	H	α-helix	trans	-65.9	-45.7	175.3	-67.9	0	0	0	0	112.4	V901 M902 F903 F907 V908 D909	V901-S905 WeakPolarHBondContact O-CB 3.35Å; V901-S905 PolarHBondContact O-N 2.82Å; V901-S905 PolarHBondContact O-OG 3Å; V901-S905 VanDerWaalsContact O-OG 3.09Å; M902-S905 PolarHBondContact O-N 3.39Å; F903-S905 VanDerWaalsContact C-N 3.35Å; F903-S905 PolarHBondContact O-N 3.17Å; S905-F907 VanDerWaalsContact C-N 3.31Å; S905-V908 PolarHBondContact O-N 3.37Å; S905-D909 PolarHBondContact O-N 3.12Å
906	D	91.8	Very high	92.9	Very high	67 Å²	67	70 Å²	70	36%	0.358	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-26.2	177.2	-72	-26.4	0	0	0	111.8	K795 M902 F903 D909 W910	K795-D906 IonicContact NZ-OD1 2.69Å; K795-D906 PolarHBondContact NZ-OD1 3.37Å; K795-D906 IonicContact NZ-OD2 2.7Å; K795-D906 PolarHBondContact NZ-OD2 2.9Å; M902-D906 PolarHBondContact O-N 2.91Å; F903-D906 PolarHBondContact O-N 2.6Å; D906-D909 PolarHBondContact O-N 3.46Å; D906-W910 PolarHBondContact O-N 3.32Å
907	F	94.4	Very high	92.3	Very high	102 Å²	102	73.1 Å²	73.1	45%	0.447	36%	0.359	S	S	.	.	H	α-helix	trans	-66.5	-36.2	169.1	-179.9	-100.6	0	0	0	112.5	F903 M904 S905 W910 V911	F903-F907 VanDerWaalsContact O-CB 3.25Å; F903-F907 WeakPolarHBondContact O-CB 3.46Å; F903-F907 PolarHBondContact O-N 3.12Å; M904-F907 PolarHBondContact O-N 3.39Å; S905-F907 VanDerWaalsContact C-N 3.31Å; F907-W910 AromaticContact CD2-CE3 3.95Å; F907-W910 HydrophobicContact CD2-CE3 3.95Å; F907-W910 HydrophobicContact CD2-CZ3 4.36Å; F907-W910 AromaticContact CE2-CE3 3.83Å; F907-W910 HydrophobicContact CE2-CE3 3.83Å; F907-W910 AromaticContact CE2-CZ3 3.82Å; F907-W910 HydrophobicContact CE2-CZ3 3.82Å; F907-W910 PolarHBondContact O-N 3.43Å; F907-V911 HydrophobicContact CD1-CG2 4.12Å; F907-V911 HydrophobicContact CD2-CG2 4.36Å; F907-V911 HydrophobicContact CE1-CG2 3.72Å; F907-V911 HydrophobicContact CE2-CG2 3.99Å; F907-V911 HydrophobicContact CG-CG2 4.43Å; F907-V911 HydrophobicContact CZ-CG2 3.65Å; F907-V911 WeakPolarHBondContact O-CB 3.38Å; F907-V911 VanDerWaalsContact O-CG2 3.31Å; F907-V911 WeakPolarHBondContact O-CG2 3.41Å; F907-V911 PolarHBondContact O-N 2.04Å
908	V	92.8	Very high	91.6	Very high	26 Å²	26	75.7 Å²	75.7	16%	0.158	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-41.6	173.5	170.2	0	0	0	0	111.6	L418 A421 M904 S905 W910 V911 I912	L418-V908 HydrophobicContact CD2-CG2 4.3Å; A421-V908 HydrophobicContact CB-CB 4.4Å; A421-V908 HydrophobicContact CB-CG1 4.26Å; M904-V908 WeakPolarHBondContact O-CG2 3.5Å; M904-V908 PolarHBondContact O-N 3.09Å; M904-V908 VanDerWaalsContact O-N 3.08Å; S905-V908 PolarHBondContact O-N 3.37Å; V908-W910 VanDerWaalsContact C-N 3.3Å; V908-W910 PolarHBondContact O-N 3.46Å; V908-V911 PolarHBondContact O-N 3.1Å; V908-I912 HydrophobicContact CG1-CD1 3.74Å; V908-I912 HydrophobicContact CG1-CG1 4.46Å; V908-I912 WeakPolarHBondContact O-CG1 3.47Å; V908-I912 PolarHBondContact O-N 3.45Å; V908-I912 VanDerWaalsContact O-N 3.12Å
909	D	90.1	Very high	91.1	Very high	45 Å²	45	73 Å²	73	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-41.2	172.4	-160.2	-2.1	0	0	0	110	K428 R791 S905 D906	K428-D909 IonicContact NZ-OD1 2.69Å; K428-D909 PolarHBondContact NZ-OD1 3.06Å; R791-D909 IonicContact NH2-OD2 2.7Å; R791-D909 PolarHBondContact NH2-OD2 3.11Å; S905-D909 PolarHBondContact O-N 3.12Å; D906-D909 PolarHBondContact O-N 3.46Å
910	W	92.6	Very high	90.6	Very high	208 Å²	208	71.2 Å²	71.2	79%	0.788	36%	0.357	S	S	*	.	H	α-helix	trans	-70.2	-38.2	177.1	-179.1	69.5	0	0	0	114.8	D906 F907 V908	D906-W910 PolarHBondContact O-N 3.32Å; F907-W910 AromaticContact CD2-CE3 3.95Å; F907-W910 HydrophobicContact CD2-CE3 3.95Å; F907-W910 HydrophobicContact CD2-CZ3 4.36Å; F907-W910 AromaticContact CE2-CE3 3.83Å; F907-W910 HydrophobicContact CE2-CE3 3.83Å; F907-W910 AromaticContact CE2-CZ3 3.82Å; F907-W910 HydrophobicContact CE2-CZ3 3.82Å; F907-W910 PolarHBondContact O-N 3.43Å; V908-W910 VanDerWaalsContact C-N 3.3Å; V908-W910 PolarHBondContact O-N 3.46Å
911	V	93.8	Very high	90.1	Very high	80 Å²	80	72.4 Å²	72.4	49%	0.485	36%	0.36	S	S	.	.	H	α-helix	trans	-76.4	-32.3	-177.1	168.3	0	0	0	0	112.6	F907 V908 P913	F907-V911 HydrophobicContact CD1-CG2 4.12Å; F907-V911 HydrophobicContact CD2-CG2 4.36Å; F907-V911 HydrophobicContact CE1-CG2 3.72Å; F907-V911 HydrophobicContact CE2-CG2 3.99Å; F907-V911 HydrophobicContact CG-CG2 4.43Å; F907-V911 HydrophobicContact CZ-CG2 3.65Å; F907-V911 WeakPolarHBondContact O-CB 3.38Å; F907-V911 VanDerWaalsContact O-CG2 3.31Å; F907-V911 WeakPolarHBondContact O-CG2 3.41Å; F907-V911 PolarHBondContact O-N 2.04Å; V908-V911 PolarHBondContact O-N 3.1Å; V911-P913 WeakPolarHBondContact O-CD 3.09Å
912	I	91.4	Very high	89.4	Confident	37 Å²	37	73.7 Å²	73.7	19%	0.19	37%	0.366	C	S	.	.	S	Bend	trans	-94.8	113.2	-175.4	-59	177.6	0	0	0	110	E425 V908 D914	E425-I912 HydrophobicContact CB-CB 4.16Å; E425-I912 HydrophobicContact CB-CD1 4.02Å; E425-I912 HydrophobicContact CB-CG2 3.88Å; E425-I912 HydrophobicContact CG-CB 4.2Å; E425-I912 HydrophobicContact CG-CD1 4.22Å; E425-I912 HydrophobicContact CG-CG2 4.45Å; V908-I912 HydrophobicContact CG1-CD1 3.74Å; V908-I912 HydrophobicContact CG1-CG1 4.46Å; V908-I912 WeakPolarHBondContact O-CG1 3.47Å; V908-I912 PolarHBondContact O-N 3.45Å; V908-I912 VanDerWaalsContact O-N 3.12Å; I912-D914 PolarHBondContact O-N 2.85Å
913	P	89.6	Confident	88.9	Confident	81 Å²	81	72.8 Å²	72.8	53%	0.526	36%	0.361	S	S	.	.			trans	-72.1	128.1	-179.3	28	-34.6	0	0	0	112.3	R429 V911 I915	R429-P913 WeakPolarHBondContact CD-O 3.35Å; R429-P913 WeakPolarHBondContact CG-O 3.1Å; V911-P913 WeakPolarHBondContact O-CD 3.09Å; P913-I915 VanDerWaalsContact C-N 3.27Å; P913-I915 PolarHBondContact O-N 3.12Å
914	D	89.2	Confident	88.4	Confident	84 Å²	84	72.1 Å²	72.1	45%	0.449	36%	0.36	S	S	.	.	S	Bend	trans	-46.3	-45.8	175.9	-75.1	-30.3	0	0	0	113.8	K428 R429 I912 P916	K428-D914 VanDerWaalsContact CD-OD1 3.28Å; K428-D914 WeakPolarHBondContact CD-OD1 3.4Å; K428-D914 WeakPolarHBondContact CE-OD1 3.1Å; K428-D914 IonicContact NZ-OD1 2.97Å; K428-D914 PolarHBondContact NZ-OD1 3.33Å; R429-D914 VanDerWaalsContact CG-O 3.32Å; R429-D914 WeakPolarHBondContact CG-O 3.3Å; I912-D914 PolarHBondContact O-N 2.85Å; D914-P916 WeakPolarHBondContact O-CD 3.17Å
915	I	87.3	Confident	87.9	Confident	91 Å²	91	72.7 Å²	72.7	47%	0.467	36%	0.361	S	S	.	.	S	Bend	trans	-101.8	116	-176.4	-56.9	180	0	0	0	109	M432 P913 K917	M432-I915 HydrophobicContact CG-CG2 4.4Å; P913-I915 VanDerWaalsContact C-N 3.27Å; P913-I915 PolarHBondContact O-N 3.12Å; I915-K917 PolarHBondContact O-N 2.83Å
916	P	88.5	Confident	87.3	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.013	36%	0.36	C	S	.	.			trans	-58.9	133.5	174.5	-24.5	35.3	0	0	0	112.5	R429 D914 D918 I919 S920	R429-P916 HydrophobicContact CB-CG 3.97Å; R429-P916 HydrophobicContact CG-CG 4.18Å; D914-P916 WeakPolarHBondContact O-CD 3.17Å; P916-D918 VanDerWaalsContact C-N 3.3Å; P916-D918 WeakPolarHBondContact CB-OD1 3.37Å; P916-D918 PolarHBondContact O-N 3.46Å; P916-I919 HydrophobicContact CB-CB 4.4Å; P916-I919 HydrophobicContact CB-CG1 4.07Å; P916-I919 HydrophobicContact CG-CG1 4.46Å; P916-I919 PolarHBondContact O-N 3.35Å; P916-S920 PolarHBondContact O-N 2.93Å
917	K	83.6	Confident	86.9	Confident	161 Å²	161	75.9 Å²	75.9	70%	0.7	37%	0.37	S	S	*	.	H	α-helix	trans	-63	-33.1	-174.2	-170.2	170.5	-176.2	171.9	0	113.4	I915 Q921	I915-K917 PolarHBondContact O-N 2.83Å; K917-Q921 WeakPolarHBondContact O-CB 3.39Å; K917-Q921 VanDerWaalsContact O-CG 3.28Å; K917-Q921 WeakPolarHBondContact O-CG 3.28Å; K917-Q921 PolarHBondContact O-N 3.35Å
918	D	81.3	Confident	86.5	Confident	68 Å²	68	74.8 Å²	74.8	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-49.5	170.4	53.7	-41.4	0	0	0	111.6	R433 P916 Q921 Q922	R433-D918 IonicContact CZ-OD2 2.67Å; R433-D918 IonicContact NE-OD2 3.66Å; R433-D918 IonicContact NH2-OD1 3.34Å; R433-D918 IonicContact NH2-OD2 2.68Å; R433-D918 PolarHBondContact NH2-OD2 3.01Å; P916-D918 VanDerWaalsContact C-N 3.3Å; P916-D918 WeakPolarHBondContact CB-OD1 3.37Å; P916-D918 PolarHBondContact O-N 3.46Å; D918-Q921 PolarHBondContact O-N 3.44Å; D918-Q922 WeakPolarHBondContact O-CB 3.29Å; D918-Q922 PolarHBondContact O-N 3.21Å
919	I	84.1	Confident	86	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.031	37%	0.374	C	S	.	.	H	α-helix	trans	-70.1	-40.5	-178.7	-57.3	-55.9	0	0	0	111.3	R433 Y436 P916 Q921 Q922 I923	R433-I919 HydrophobicContact CB-CG1 4.41Å; R433-I919 HydrophobicContact CG-CD1 4.1Å; R433-I919 HydrophobicContact CG-CG1 4.44Å; Y436-I919 HydrophobicContact CD1-CD1 3.75Å; Y436-I919 HydrophobicContact CD1-CG2 4.12Å; Y436-I919 HydrophobicContact CD2-CG2 4.15Å; Y436-I919 HydrophobicContact CE1-CD1 4.31Å; Y436-I919 HydrophobicContact CG-CD1 4.39Å; Y436-I919 HydrophobicContact CG-CG2 3.67Å; P916-I919 HydrophobicContact CB-CB 4.4Å; P916-I919 HydrophobicContact CB-CG1 4.07Å; P916-I919 HydrophobicContact CG-CG1 4.46Å; P916-I919 PolarHBondContact O-N 3.35Å; I919-Q921 PolarHBondContact O-N 3.43Å; I919-Q922 PolarHBondContact O-N 3.21Å; I919-I923 HydrophobicContact CG2-CD1 3.76Å; I919-I923 HydrophobicContact CG2-CG1 4.28Å; I919-I923 WeakPolarHBondContact O-CB 3.34Å; I919-I923 VanDerWaalsContact O-CG1 3.3Å; I919-I923 WeakPolarHBondContact O-CG1 2.87Å; I919-I923 PolarHBondContact O-N 3.34Å
920	S	84.5	Confident	85.5	Confident	65 Å²	65	76.4 Å²	76.4	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-59	-46.4	175	-178	0	0	0	0	111.9	P916 Q922 H924	P916-S920 PolarHBondContact O-N 2.93Å; S920-Q922 PolarHBondContact O-N 3.39Å; S920-H924 PolarHBondContact O-N 3.34Å; S920-H924 VanDerWaalsContact O-N 3.08Å
921	Q	85.1	Confident	85	Confident	120 Å²	120	70.6 Å²	70.6	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-63.7	-39.4	174.9	-73.3	177.2	-20.2	0	0	112.4	K917 D918 I919 H924 K925	K917-Q921 WeakPolarHBondContact O-CB 3.39Å; K917-Q921 VanDerWaalsContact O-CG 3.28Å; K917-Q921 WeakPolarHBondContact O-CG 3.28Å; K917-Q921 PolarHBondContact O-N 3.35Å; D918-Q921 PolarHBondContact O-N 3.44Å; I919-Q921 PolarHBondContact O-N 3.43Å; Q921-H924 PolarHBondContact O-N 3.34Å; Q921-K925 WeakPolarHBondContact O-CB 3.47Å; Q921-K925 PolarHBondContact O-N 2.87Å
922	Q	82.6	Confident	84.6	Confident	28 Å²	28	72 Å²	72	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-70.9	-39.5	-179.6	-161.7	174.6	-14.4	0	0	112.5	Y182 Y436 D918 I919 S920 H924 K925 E926	Y182-Q922 PolarHBondContact OH-NE2 3.46Å; Y436-Q922 HydrophobicContact CE1-CG 4.26Å; Y436-Q922 VanDerWaalsContact OH-CG 3.28Å; Y436-Q922 WeakPolarHBondContact OH-CG 3.41Å; Y436-Q922 PolarHBondContact OH-NE2 3.43Å; D918-Q922 WeakPolarHBondContact O-CB 3.29Å; D918-Q922 PolarHBondContact O-N 3.21Å; I919-Q922 PolarHBondContact O-N 3.21Å; S920-Q922 PolarHBondContact O-N 3.39Å; Q922-H924 VanDerWaalsContact C-N 3.33Å; Q922-H924 PolarHBondContact O-N 3.46Å; Q922-K925 PolarHBondContact O-N 3.06Å; Q922-E926 PolarHBondContact O-N 3.15Å
923	I	82.4	Confident	84	Confident	34 Å²	34	72 Å²	72	17%	0.174	37%	0.366	C	S	.	.	H	α-helix	trans	-61.2	-42	172.1	-70.1	168	0	0	0	110.7	M432 Y436 T441 I919 E926 K927	M432-I923 HydrophobicContact CE-CD1 3.69Å; Y436-I923 HydrophobicContact CD2-CD1 3.91Å; Y436-I923 HydrophobicContact CD2-CG1 3.41Å; Y436-I923 VanDerWaalsContact CD2-CG1 3.41Å; Y436-I923 HydrophobicContact CE2-CG1 3.66Å; Y436-I923 HydrophobicContact CG-CG1 4.42Å; T441-I923 HydrophobicContact CG2-CD1 4.31Å; I919-I923 HydrophobicContact CG2-CD1 3.76Å; I919-I923 HydrophobicContact CG2-CG1 4.28Å; I919-I923 WeakPolarHBondContact O-CB 3.34Å; I919-I923 VanDerWaalsContact O-CG1 3.3Å; I919-I923 WeakPolarHBondContact O-CG1 2.87Å; I919-I923 PolarHBondContact O-N 3.34Å; I923-E926 PolarHBondContact O-N 3.39Å; I923-K927 WeakPolarHBondContact O-CG 3.4Å; I923-K927 PolarHBondContact O-N 3.47Å
924	H	85	Confident	83.4	Confident	128 Å²	128	70.1 Å²	70.1	59%	0.593	35%	0.35	S	S	*	.	H	α-helix	trans	-64.1	-44.3	175.8	-173.7	75.7	0	0	0	111.6	S920 Q921 Q922 E926 K927 V928	S920-H924 PolarHBondContact O-N 3.34Å; S920-H924 VanDerWaalsContact O-N 3.08Å; Q921-H924 PolarHBondContact O-N 3.34Å; Q922-H924 VanDerWaalsContact C-N 3.33Å; Q922-H924 PolarHBondContact O-N 3.46Å; H924-E926 PolarHBondContact O-N 2.77Å; H924-K927 PolarHBondContact O-N 3.4Å; H924-V928 WeakPolarHBondContact O-CG2 3.25Å; H924-V928 PolarHBondContact O-N 3.47Å
925	K	84.2	Confident	83.1	Confident	77 Å²	77	71.6 Å²	71.6	34%	0.335	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-42.4	175.3	-168.6	-175.1	-179.2	-169.5	0	112.2	H183 N185 Q921 Q922 V928 L929	H183-K925 PolarHBondContact O-NZ 3.31Å; N185-K925 PolarHBondContact OD1-NZ 2.89Å; Q921-K925 WeakPolarHBondContact O-CB 3.47Å; Q921-K925 PolarHBondContact O-N 2.87Å; Q922-K925 PolarHBondContact O-N 3.06Å; K925-V928 PolarHBondContact O-N 3.1Å; K925-L929 HydrophobicContact CG-CD1 4.07Å; K925-L929 WeakPolarHBondContact O-CB 3.41Å; K925-L929 VanDerWaalsContact O-CG 3.31Å; K925-L929 WeakPolarHBondContact O-CG 3.44Å; K925-L929 PolarHBondContact O-N 2.88Å
926	E	79	Confident	82.8	Confident	19 Å²	19	73.9 Å²	73.9	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-61.5	-42.5	174.1	-81.8	-174.3	168.6	0	0	112.3	Y182 K218 L220 Y436 Q922 I923 H924 L929 M930	Y182-E926 HydrophobicContact CE1-CG 3.8Å; Y182-E926 WeakPolarHBondContact OH-CG 3.28Å; Y182-E926 PolarHBondContact OH-OE1 3.09Å; K218-E926 IonicContact NZ-OE1 2.72Å; K218-E926 PolarHBondContact NZ-OE1 3.49Å; L220-E926 HydrophobicContact CD1-CB 4.06Å; L220-E926 HydrophobicContact CD1-CG 3.91Å; Y436-E926 VanDerWaalsContact CE2-OE2 3.3Å; Y436-E926 WeakPolarHBondContact CE2-OE2 3.43Å; Y436-E926 PolarHBondContact OH-OE1 3.44Å; Q922-E926 PolarHBondContact O-N 3.15Å; I923-E926 PolarHBondContact O-N 3.39Å; H924-E926 PolarHBondContact O-N 2.77Å; E926-L929 PolarHBondContact O-N 2.8Å; E926-M930 VanDerWaalsContact O-CB 3.26Å; E926-M930 WeakPolarHBondContact O-CB 3.43Å; E926-M930 PolarHBondContact O-N 3.2Å
927	K	82.8	Confident	82.2	Confident	132 Å²	132	75.1 Å²	75.1	57%	0.574	36%	0.364	S	S	*	.	H	α-helix	trans	-61.8	-44	176	-75.2	-176.8	176.3	-169	0	111.9	I923 H924 M930 V931	I923-K927 WeakPolarHBondContact O-CG 3.4Å; I923-K927 PolarHBondContact O-N 3.47Å; H924-K927 PolarHBondContact O-N 3.4Å; K927-M930 PolarHBondContact O-N 3.11Å; K927-V931 WeakPolarHBondContact O-CG2 3.45Å; K927-V931 PolarHBondContact O-N 2.74Å
928	V	86.6	Confident	81.9	Confident	78 Å²	78	71.4 Å²	71.4	47%	0.473	35%	0.349	S	S	.	.	H	α-helix	trans	-63.8	-48.1	176.8	174.3	0	0	0	0	111.1	H924 K925 M930 V931 E932	H924-V928 WeakPolarHBondContact O-CG2 3.25Å; H924-V928 PolarHBondContact O-N 3.47Å; K925-V928 PolarHBondContact O-N 3.1Å; V928-M930 VanDerWaalsContact C-N 3.31Å; V928-M930 PolarHBondContact O-N 3.02Å; V928-V931 PolarHBondContact O-N 2.95Å; V928-E932 PolarHBondContact O-N 2.87Å
929	L	82.8	Confident	81.9	Confident	43 Å²	43	72.9 Å²	72.9	23%	0.225	35%	0.354	C	S	.	.	H	α-helix	trans	-61.8	-37.2	177.2	-73	169.8	0	0	0	112.4	Y182 K925 E926 E932 L933	Y182-L929 HydrophobicContact CD1-CD1 4.35Å; Y182-L929 HydrophobicContact CD2-CD1 4.35Å; Y182-L929 HydrophobicContact CG-CD1 3.96Å; K925-L929 HydrophobicContact CG-CD1 4.07Å; K925-L929 WeakPolarHBondContact O-CB 3.41Å; K925-L929 VanDerWaalsContact O-CG 3.31Å; K925-L929 WeakPolarHBondContact O-CG 3.44Å; K925-L929 PolarHBondContact O-N 2.88Å; E926-L929 PolarHBondContact O-N 2.8Å; L929-E932 PolarHBondContact O-N 3.13Å; L929-L933 WeakPolarHBondContact O-CB 3.47Å; L929-L933 VanDerWaalsContact O-CG 3.23Å; L929-L933 WeakPolarHBondContact O-CG 3.49Å; L929-L933 PolarHBondContact O-N 3.21Å
930	M	78.5	Confident	81.6	Confident	62 Å²	62	76.2 Å²	76.2	31%	0.305	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-45	175	-174.6	-142.6	-66.5	0	0	111.4	L220 Y222 E926 K927 V928 L933 F934	L220-M930 HydrophobicContact CD2-CB 4.22Å; Y222-M930 HydrophobicContact CD2-CG 4.39Å; Y222-M930 HydrophobicContact CD2-SD 4.29Å; Y222-M930 HydrophobicContact CE2-SD 4.31Å; E926-M930 VanDerWaalsContact O-CB 3.26Å; E926-M930 WeakPolarHBondContact O-CB 3.43Å; E926-M930 PolarHBondContact O-N 3.2Å; K927-M930 PolarHBondContact O-N 3.11Å; V928-M930 VanDerWaalsContact C-N 3.31Å; V928-M930 PolarHBondContact O-N 3.02Å; M930-L933 PolarHBondContact O-N 3.38Å; M930-F934 HydrophobicContact CG-CD2 3.98Å; M930-F934 HydrophobicContact CG-CE2 3.6Å; M930-F934 VanDerWaalsContact O-CD2 3.25Å; M930-F934 WeakPolarHBondContact O-CD2 3.32Å; M930-F934 PolarHBondContact O-N 3.2Å; M930-F934 HydrophobicContact SD-CD2 4.32Å; M930-F934 HydrophobicContact SD-CE2 3.82Å
931	V	83.6	Confident	81.3	Confident	86 Å²	86	76.6 Å²	76.6	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-44.5	176.2	171.5	0	0	0	0	110.8	K927 V928 L933 F934 M935	K927-V931 WeakPolarHBondContact O-CG2 3.45Å; K927-V931 PolarHBondContact O-N 2.74Å; V928-V931 PolarHBondContact O-N 2.95Å; V931-L933 VanDerWaalsContact C-N 3.32Å; V931-L933 PolarHBondContact O-N 2.83Å; V931-F934 PolarHBondContact O-N 3.02Å; V931-M935 HydrophobicContact CG1-CG 4.26Å; V931-M935 WeakPolarHBondContact O-CG 3.32Å; V931-M935 PolarHBondContact O-N 2.91Å
932	E	85	Confident	80.8	Confident	111 Å²	111	76.5 Å²	76.5	52%	0.519	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-43.2	176.5	-171.2	-171.4	159	0	0	112	V928 L929 M935 R936	V928-E932 PolarHBondContact O-N 2.87Å; L929-E932 PolarHBondContact O-N 3.13Å; E932-M935 PolarHBondContact O-N 3.1Å; E932-R936 WeakPolarHBondContact O-CB 3.28Å; E932-R936 PolarHBondContact O-N 3.3Å
933	L	77.8	Confident	80.6	Confident	36 Å²	36	80.5 Å²	80.5	19%	0.188	38%	0.383	C	S	.	.	H	α-helix	trans	-64.1	-41.1	175.9	-71.4	173.3	0	0	0	112.5	K180 L220 L929 M930 V931 R936 E937	K180-L933 HydrophobicContact CB-CD1 3.85Å; K180-L933 HydrophobicContact CD-CD2 3.74Å; K180-L933 HydrophobicContact CG-CD1 3.8Å; K180-L933 HydrophobicContact CG-CD2 3.65Å; K180-L933 HydrophobicContact CG-CG 4.4Å; L220-L933 HydrophobicContact CD2-CD1 3.57Å; L929-L933 WeakPolarHBondContact O-CB 3.47Å; L929-L933 VanDerWaalsContact O-CG 3.23Å; L929-L933 WeakPolarHBondContact O-CG 3.49Å; L929-L933 PolarHBondContact O-N 3.21Å; M930-L933 PolarHBondContact O-N 3.38Å; V931-L933 VanDerWaalsContact C-N 3.32Å; V931-L933 PolarHBondContact O-N 2.83Å; L933-R936 PolarHBondContact O-N 3.49Å; L933-E937 WeakPolarHBondContact O-CB 3.41Å; L933-E937 PolarHBondContact O-N 3.44Å
934	F	78.1	Confident	80.5	Confident	41 Å²	41	84.7 Å²	84.7	18%	0.18	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-41.3	175.5	-76.7	-49.8	0	0	0	113.1	Y222 K228 L231 M930 V931 R936 E937 E938	Y222-F934 HydrophobicContact CD1-CZ 4.25Å; Y222-F934 AromaticContact CD2-CE2 3.92Å; Y222-F934 HydrophobicContact CD2-CE2 3.92Å; Y222-F934 AromaticContact CD2-CZ 3.69Å; Y222-F934 HydrophobicContact CD2-CZ 3.69Å; Y222-F934 AromaticContact CE1-CZ 3.92Å; Y222-F934 HydrophobicContact CE1-CZ 3.92Å; Y222-F934 AromaticContact CE2-CE2 3.5Å; Y222-F934 HydrophobicContact CE2-CE2 3.5Å; Y222-F934 AromaticContact CE2-CZ 3.32Å; Y222-F934 HydrophobicContact CE2-CZ 3.32Å; Y222-F934 HydrophobicContact CG-CZ 4.19Å; Y222-F934 AromaticContact CZ-CZ 3.46Å; Y222-F934 VanDerWaalsContact CZ-CZ 3.46Å; K228-F934 HydrophobicContact CD-CE1 3.95Å; L231-F934 HydrophobicContact CD1-CE1 3.99Å; M930-F934 HydrophobicContact CG-CD2 3.98Å; M930-F934 HydrophobicContact CG-CE2 3.6Å; M930-F934 VanDerWaalsContact O-CD2 3.25Å; M930-F934 WeakPolarHBondContact O-CD2 3.32Å; M930-F934 PolarHBondContact O-N 3.2Å; M930-F934 HydrophobicContact SD-CD2 4.32Å; M930-F934 HydrophobicContact SD-CE2 3.82Å; V931-F934 PolarHBondContact O-N 3.02Å; F934-R936 VanDerWaalsContact C-N 3.32Å; F934-R936 PolarHBondContact O-N 2.93Å; F934-E937 PolarHBondContact O-N 3.14Å; F934-E938 WeakPolarHBondContact O-CG 3.44Å; F934-E938 PolarHBondContact O-N 3.1Å
935	M	81.9	Confident	80.2	Confident	116 Å²	116	84.1 Å²	84.1	57%	0.571	41%	0.406	S	S	*	.	H	α-helix	trans	-61.6	-42.4	176.6	-68.7	-58.7	-62	0	0	111.4	V931 E932 Q939	V931-M935 HydrophobicContact CG1-CG 4.26Å; V931-M935 WeakPolarHBondContact O-CG 3.32Å; V931-M935 PolarHBondContact O-N 2.91Å; E932-M935 PolarHBondContact O-N 3.1Å; M935-Q939 VanDerWaalsContact O-CG 3.28Å; M935-Q939 WeakPolarHBondContact O-CG 3.37Å; M935-Q939 PolarHBondContact O-N 3.24Å; M935-Q939 VanDerWaalsContact O-N 3.08Å
936	R	81.6	Confident	80	Confident	139 Å²	139	86.6 Å²	86.6	53%	0.525	42%	0.419	S	S	.	.	H	α-helix	trans	-67.2	-40.5	177.7	-171.2	174	-173.9	149.2	6	112.8	E932 L933 F934 Q939 D940	E932-R936 WeakPolarHBondContact O-CB 3.28Å; E932-R936 PolarHBondContact O-N 3.3Å; L933-R936 PolarHBondContact O-N 3.49Å; F934-R936 VanDerWaalsContact C-N 3.32Å; F934-R936 PolarHBondContact O-N 2.93Å; R936-Q939 WeakPolarHBondContact O-CB 3.38Å; R936-Q939 PolarHBondContact O-N 3.29Å; R936-D940 VanDerWaalsContact O-CG 3.27Å; R936-D940 PolarHBondContact O-N 3.46Å
937	E	75.3	Confident	80.1	Confident	27 Å²	27	90 Å²	90	13%	0.126	44%	0.441	C	S	.	.	H	α-helix	trans	-71.5	-33.8	-179.4	-170.4	169.4	-99.2	0	0	112.5	H230 L231 L933 F934 K941	H230-E937 IonicContact CD2-OE1 2.72Å; H230-E937 PolarHBondContact CD2-OE1 2.86Å; H230-E937 VanDerWaalsContact NE2-CD 3.35Å; H230-E937 IonicContact NE2-OE1 3.64Å; H230-E937 PolarHBondContact NE2-OE1 3.28Å; H230-E937 IonicContact NE2-OE2 3.83Å; L231-E937 WeakPolarHBondContact CD2-OE1 3.05Å; L231-E937 WeakPolarHBondContact CG-OE1 3.38Å; L933-E937 WeakPolarHBondContact O-CB 3.41Å; L933-E937 PolarHBondContact O-N 3.44Å; F934-E937 PolarHBondContact O-N 3.14Å; E937-K941 WeakPolarHBondContact O-CG 3.42Å; E937-K941 PolarHBondContact O-N 3.44Å
938	E	78.3	Confident	79.9	Confident	84 Å²	84	92 Å²	92	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-69	-35.9	169.8	-69.6	-60.9	129	0	0	112	F934 K941 Q942	F934-E938 WeakPolarHBondContact O-CG 3.44Å; F934-E938 PolarHBondContact O-N 3.1Å; E938-K941 PolarHBondContact O-N 2.88Å; E938-K941 IonicContact OE1-NZ 3.89Å; E938-K941 PolarHBondContact OE1-NZ 3.14Å; E938-Q942 WeakPolarHBondContact O-CG 3.27Å; E938-Q942 PolarHBondContact O-N 2.81Å
939	Q	80.3	Confident	79.4	Confident	98 Å²	98	94.7 Å²	94.7	46%	0.458	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-47.1	171	-75.2	171.2	-16.3	0	0	112.2	M935 R936 K941 Q942 Q943	M935-Q939 VanDerWaalsContact O-CG 3.28Å; M935-Q939 WeakPolarHBondContact O-CG 3.37Å; M935-Q939 PolarHBondContact O-N 3.24Å; M935-Q939 VanDerWaalsContact O-N 3.08Å; R936-Q939 WeakPolarHBondContact O-CB 3.38Å; R936-Q939 PolarHBondContact O-N 3.29Å; Q939-K941 VanDerWaalsContact C-N 3.28Å; Q939-K941 PolarHBondContact O-N 3.25Å; Q939-Q942 PolarHBondContact O-N 3.49Å; Q939-Q942 VanDerWaalsContact O-N 3.15Å; Q939-Q943 WeakPolarHBondContact O-CG 3.3Å; Q939-Q943 PolarHBondContact O-N 2.97Å
940	D	78.6	Confident	79.2	Confident	77 Å²	77	97.3 Å²	97.3	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-38.1	178.1	-68.7	-19.2	0	0	0	110.9	R936 L944	R936-D940 VanDerWaalsContact O-CG 3.27Å; R936-D940 PolarHBondContact O-N 3.46Å; D940-L944 WeakPolarHBondContact O-CB 3.37Å; D940-L944 VanDerWaalsContact O-CG 3.3Å; D940-L944 WeakPolarHBondContact O-CG 3.07Å; D940-L944 PolarHBondContact O-N 2.03Å
941	K	77.5	Confident	78.9	Confident	73 Å²	73	100.8 Å²	100.8	32%	0.317	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-43.3	172.7	-74.6	175.4	-166.6	167.8	0	113.1	E937 E938 Q939 L944 L945	E937-K941 WeakPolarHBondContact O-CG 3.42Å; E937-K941 PolarHBondContact O-N 3.44Å; E938-K941 PolarHBondContact O-N 2.88Å; E938-K941 IonicContact OE1-NZ 3.89Å; E938-K941 PolarHBondContact OE1-NZ 3.14Å; Q939-K941 VanDerWaalsContact C-N 3.28Å; Q939-K941 PolarHBondContact O-N 3.25Å; K941-L944 PolarHBondContact O-N 3.45Å; K941-L945 WeakPolarHBondContact O-CB 3.06Å; K941-L945 PolarHBondContact O-N 2.8Å
942	Q	74.4	Confident	78.3	Confident	117 Å²	117	100.3 Å²	100.3	55%	0.547	47%	0.471	S	S	.	.	H	α-helix	trans	-61.4	-47.1	177.3	-77	174.3	-9.4	0	0	110.5	E938 Q939 L944 L945 E946	E938-Q942 WeakPolarHBondContact O-CG 3.27Å; E938-Q942 PolarHBondContact O-N 2.81Å; Q939-Q942 PolarHBondContact O-N 3.49Å; Q939-Q942 VanDerWaalsContact O-N 3.15Å; Q942-L944 VanDerWaalsContact C-N 3.34Å; Q942-L944 PolarHBondContact O-N 3.22Å; Q942-L945 WeakPolarHBondContact O-CB 3.39Å; Q942-L945 PolarHBondContact O-N 3.4Å; Q942-L945 VanDerWaalsContact O-N 3.14Å; Q942-E946 WeakPolarHBondContact O-CG 3.41Å; Q942-E946 PolarHBondContact O-N 3.3Å
943	Q	78.6	Confident	77.4	Confident	112 Å²	112	103.5 Å²	103.5	52%	0.523	48%	0.478	S	S	.	.	H	α-helix	trans	-60.9	-40.1	175.7	-70.9	177.9	8	0	0	112.4	Q939 E946 T947	Q939-Q943 WeakPolarHBondContact O-CG 3.3Å; Q939-Q943 PolarHBondContact O-N 2.97Å; Q943-E946 PolarHBondContact O-N 3.42Å; Q943-T947 WeakPolarHBondContact O-CB 3.46Å; Q943-T947 PolarHBondContact O-N 3.49Å; Q943-T947 PolarHBondContact O-OG1 3.12Å
944	L	79.9	Confident	76.6	Confident	122 Å²	122	108.1 Å²	108.1	64%	0.639	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-40.8	174.2	-78.9	167.7	0	0	0	112.2	D940 K941 Q942 T947 W948	D940-L944 WeakPolarHBondContact O-CB 3.37Å; D940-L944 VanDerWaalsContact O-CG 3.3Å; D940-L944 WeakPolarHBondContact O-CG 3.07Å; D940-L944 PolarHBondContact O-N 2.03Å; K941-L944 PolarHBondContact O-N 3.45Å; Q942-L944 VanDerWaalsContact C-N 3.34Å; Q942-L944 PolarHBondContact O-N 3.22Å; L944-T947 PolarHBondContact O-N 2.62Å; L944-W948 WeakPolarHBondContact O-CB 3.07Å; L944-W948 PolarHBondContact O-N 3.32Å
945	L	79.8	Confident	75.7	Confident	117 Å²	117	112.7 Å²	112.7	61%	0.613	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-45.7	175.1	-109	125	0	0	0	111.9	K941 Q942 W948 M949	K941-L945 WeakPolarHBondContact O-CB 3.06Å; K941-L945 PolarHBondContact O-N 2.8Å; Q942-L945 WeakPolarHBondContact O-CB 3.39Å; Q942-L945 PolarHBondContact O-N 3.4Å; Q942-L945 VanDerWaalsContact O-N 3.14Å; L945-W948 PolarHBondContact O-N 3.22Å; L945-M949 WeakPolarHBondContact O-CB 3.1Å; L945-M949 WeakPolarHBondContact O-CG 3.22Å; L945-M949 PolarHBondContact O-N 3.32Å
946	E	80.4	Confident	74.5	Confident	129 Å²	129	113.9 Å²	113.9	60%	0.603	53%	0.527	S	S	*	.	H	α-helix	trans	-59.8	-46	174.4	-72.6	173.3	173.2	0	0	111	Q942 Q943 W948 M949 E950	Q942-E946 WeakPolarHBondContact O-CG 3.41Å; Q942-E946 PolarHBondContact O-N 3.3Å; Q943-E946 PolarHBondContact O-N 3.42Å; E946-W948 VanDerWaalsContact C-N 3.3Å; E946-W948 PolarHBondContact O-N 3.36Å; E946-M949 PolarHBondContact O-N 2.65Å; E946-E950 WeakPolarHBondContact O-CB 3.2Å; E946-E950 PolarHBondContact O-N 3.13Å
947	T	81.4	Confident	73	Confident	89 Å²	89	114.6 Å²	114.6	55%	0.546	54%	0.536	S	S	.	.	H	α-helix	trans	-62.6	-35.9	176.1	-53.3	0	0	0	0	112	Q943 L944 K951	Q943-T947 WeakPolarHBondContact O-CB 3.46Å; Q943-T947 PolarHBondContact O-N 3.49Å; Q943-T947 PolarHBondContact O-OG1 3.12Å; L944-T947 PolarHBondContact O-N 2.62Å; T947-K951 VanDerWaalsContact O-CB 3.24Å; T947-K951 WeakPolarHBondContact O-CB 3.45Å; T947-K951 PolarHBondContact O-N 3.24Å
948	W	77.4	Confident	71.6	Confident	175 Å²	175	118 Å²	118	66%	0.663	56%	0.561	S	S	*	*	H	α-helix	trans	-71.5	-43.4	176.7	-138.5	84	0	0	0	111.5	L944 L945 E946 K951 E952	L944-W948 WeakPolarHBondContact O-CB 3.07Å; L944-W948 PolarHBondContact O-N 3.32Å; L945-W948 PolarHBondContact O-N 3.22Å; E946-W948 VanDerWaalsContact C-N 3.3Å; E946-W948 PolarHBondContact O-N 3.36Å; W948-K951 PolarHBondContact O-N 3.4Å; W948-E952 HydrophobicContact CE3-CG 3.68Å; W948-E952 HydrophobicContact CZ3-CG 3.77Å; W948-E952 WeakPolarHBondContact O-CG 3.18Å; W948-E952 PolarHBondContact O-N 2.98Å
949	M	76.3	Confident	70	Confident	134 Å²	134	120 Å²	120	66%	0.66	58%	0.581	S	S	*	*	H	α-helix	trans	-60	-44.4	174.4	-68	-107.1	-70	0	0	111.4	L945 E946 K951 E952 R953	L945-M949 WeakPolarHBondContact O-CB 3.1Å; L945-M949 WeakPolarHBondContact O-CG 3.22Å; L945-M949 PolarHBondContact O-N 3.32Å; E946-M949 PolarHBondContact O-N 2.65Å; M949-K951 VanDerWaalsContact C-N 3.3Å; M949-K951 PolarHBondContact O-N 3.37Å; M949-E952 PolarHBondContact O-N 3.34Å; M949-R953 WeakPolarHBondContact O-CB 3.4Å; M949-R953 PolarHBondContact O-N 2.98Å
950	E	78.1	Confident	68.1	Low	98 Å²	98	120.5 Å²	120.5	46%	0.458	59%	0.594	S	S	.	*	H	α-helix	trans	-63.6	-37.1	176.5	-160.3	68.5	-173.9	0	0	111.5	E946 R953 Q954	E946-E950 WeakPolarHBondContact O-CB 3.2Å; E946-E950 PolarHBondContact O-N 3.13Å; E950-R953 WeakPolarHBondContact O-CB 3.26Å; E950-R953 PolarHBondContact O-N 3.11Å; E950-Q954 WeakPolarHBondContact O-CG 3.48Å; E950-Q954 PolarHBondContact O-N 3.08Å
951	K	73.1	Confident	66.3	Low	136 Å²	136	124.5 Å²	124.5	59%	0.591	62%	0.615	S	S	*	*	H	α-helix	trans	-77.1	-26	178.8	-163.6	172.6	-169.6	173.7	0	113.9	T947 W948 M949 K955	T947-K951 VanDerWaalsContact O-CB 3.24Å; T947-K951 WeakPolarHBondContact O-CB 3.45Å; T947-K951 PolarHBondContact O-N 3.24Å; W948-K951 PolarHBondContact O-N 3.4Å; M949-K951 VanDerWaalsContact C-N 3.3Å; M949-K951 PolarHBondContact O-N 3.37Å; K951-K955 WeakPolarHBondContact O-CG 3.35Å
952	E	71.5	Confident	64.4	Low	76 Å²	76	129.6 Å²	129.6	36%	0.355	64%	0.64	S	S	.	*	H	α-helix	trans	-70.5	-46	165.4	-66.8	-87.1	97.9	0	0	109.3	W948 M949 Q954 K955 D956	W948-E952 HydrophobicContact CE3-CG 3.68Å; W948-E952 HydrophobicContact CZ3-CG 3.77Å; W948-E952 WeakPolarHBondContact O-CG 3.18Å; W948-E952 PolarHBondContact O-N 2.98Å; M949-E952 PolarHBondContact O-N 3.34Å; E952-Q954 VanDerWaalsContact C-N 3.29Å; E952-Q954 PolarHBondContact O-N 3.36Å; E952-K955 WeakPolarHBondContact O-CB 3.31Å; E952-K955 PolarHBondContact O-N 3.06Å; E952-K955 IonicContact OE1-NZ 2.83Å; E952-K955 PolarHBondContact OE1-NZ 3.24Å; E952-D956 PolarHBondContact O-N 3.12Å
953	R	66.3	Low	62.6	Low	178 Å²	178	132.5 Å²	132.5	67%	0.672	65%	0.653	S	S	*	*	H	α-helix	trans	-54.1	-42	175.4	-130.1	176	-176.8	176.8	-0.6	113.2	M949 E950 K955 D956	M949-R953 WeakPolarHBondContact O-CB 3.4Å; M949-R953 PolarHBondContact O-N 2.98Å; E950-R953 WeakPolarHBondContact O-CB 3.26Å; E950-R953 PolarHBondContact O-N 3.11Å; R953-K955 VanDerWaalsContact C-N 3.3Å; R953-K955 PolarHBondContact O-N 3.27Å; R953-D956 PolarHBondContact O-N 3.17Å
954	Q	61.1	Low	60.5	Low	132 Å²	132	134.1 Å²	134.1	62%	0.617	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-12	176.9	-73.7	179	5.4	0	0	114.6	E950 E952	E950-Q954 WeakPolarHBondContact O-CG 3.48Å; E950-Q954 PolarHBondContact O-N 3.08Å; E952-Q954 VanDerWaalsContact C-N 3.29Å; E952-Q954 PolarHBondContact O-N 3.36Å
955	K	58.9	Low	59.4	Low	137 Å²	137	132.9 Å²	132.9	60%	0.596	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-25.9	169.6	-71.5	171.9	-170.6	164.7	0	112.7	K951 E952 R953 E957	K951-K955 WeakPolarHBondContact O-CG 3.35Å; E952-K955 WeakPolarHBondContact O-CB 3.31Å; E952-K955 PolarHBondContact O-N 3.06Å; E952-K955 IonicContact OE1-NZ 2.83Å; E952-K955 PolarHBondContact OE1-NZ 3.24Å; R953-K955 VanDerWaalsContact C-N 3.3Å; R953-K955 PolarHBondContact O-N 3.27Å; K955-E957 VanDerWaalsContact C-N 3.35Å
956	D	55.6	Low	57.2	Low	141 Å²	141	137.1 Å²	137.1	75%	0.754	68%	0.678	S	S	*	*	S	Bend	trans	-84.9	-6.9	-178.7	-71.1	-24	0	0	0	113	E952 R953	E952-D956 PolarHBondContact O-N 3.12Å; R953-D956 PolarHBondContact O-N 3.17Å
957	E	49.6	Very low	54.7	Low	154 Å²	154	135.6 Å²	135.6	72%	0.72	69%	0.687	S	S	*	*	S	Bend	trans	-82.4	126.2	169.5	-73.5	-163.4	141.5	0	0	111.9	K955	K955-E957 VanDerWaalsContact C-N 3.35Å
958	P	47.6	Very low	52.4	Low	98 Å²	98	137 Å²	137	64%	0.636	70%	0.699	S	S	*	*			trans	-74.3	154.1	176	31.5	-34.9	0	0	0	111.6	C960	P958-C960 PolarHBondContact O-N 2.8Å
959	P	44.3	Very low	51.1	Low	126 Å²	126	133.8 Å²	133.8	82%	0.818	70%	0.702	S	S	*	*			trans	-67.8	101.8	-178.1	27.9	-34.7	0	0	0	111.4	N961	P959-N961 PolarHBondContact O-N 2.93Å; P959-N961 VanDerWaalsContact O-N 3.14Å
960	C	39.3	Very low	49	Very low	109 Å²	109	134.3 Å²	134.3	74%	0.736	71%	0.707	S	S	*	*			trans	-74.3	102.7	177.7	-72.9	0	0	0	0	111.3	P958 H962	P958-C960 PolarHBondContact O-N 2.8Å; C960-H962 PolarHBondContact O-N 2.86Å
961	N	40.5	Very low	46.7	Very low	161 Å²	161	135 Å²	135	86%	0.861	72%	0.723	S	S	*	*			trans	-61.9	120.3	165.1	-81.6	-35.4	0	0	0	110.5	P959	P959-N961 PolarHBondContact O-N 2.93Å; P959-N961 VanDerWaalsContact O-N 3.14Å
962	H	37.8	Very low	44.8	Very low	180 Å²	180	136.1 Å²	136.1	83%	0.833	73%	0.734	S	S	*	*			trans	-129.7	111.8	160.9	-95.2	-60.6	0	0	0	111.9	C960 N964	C960-H962 PolarHBondContact O-N 2.86Å; H962-N964 PolarHBondContact O-N 2.99Å
963	H	37.8	Very low	42.9	Very low	179 Å²	179	137 Å²	137	83%	0.829	75%	0.749	S	S	*	*			trans	-71.4	119.7	160.8	-84.3	-64.4	0	0	0	110
964	N	33.9	Very low	41.5	Very low	146 Å²	146	134 Å²	134	78%	0.781	76%	0.755	S	S	*	*			trans	42.3	158.6	130.1	-87	-4.5	0	0	0	122.3	H962	H962-N964 PolarHBondContact O-N 2.99Å
965	P	57.6	Low	40.3	Very low	95 Å²	95	134 Å²	134	62%	0.617	77%	0.766	S	S	*	*			cis	-145.6	179.7	-34.7	40.9	-23.2	0	0	0	115.4
966	K	32.5	Very low	38.8	Very low	207 Å²	207	132 Å²	132	90%	0.9	78%	0.775	S	S	*	*			trans	73.9	147.3	164.9	-59.1	176.8	178.7	178.9	0	116.2
967	A	27.9	Very low	38.5	Very low	96 Å²	96	130.8 Å²	130.8	79%	0.793	78%	0.775	S	S	*	*			cis	-143.4	157.1	14.3	0	0	0	0	0	114.9
968	C	33.9	Very low	37.4	Very low	118 Å²	118	129.2 Å²	129.2	80%	0.797	78%	0.781	S	S	*	*			trans	-69.2	171.7	162.3	-77.3	0	0	0	0	111.8
969	P	48.8	Very low	36.7	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	79%	0.789	S	S	*	*			cis	-147.4	165.8	30.5	42.2	-21.2	0	0	0	121
970	D	32	Very low	36.1	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	78%	0.778	S	S	*	*			trans	15.5	131.1	142	-47.4	-39.8	0	0	0	121.4
971	S	30.2	Very low	35.6	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	79%	0.786	S	S	*	*				174.2	141.3	104.1	45.5	0	0	0	0	116.3
972	L	33	Very low	35.4	Very low	160 Å²	160	138 Å²	138	84%	0.838	79%	0.787	S	S	*	*			trans	39.5	116.3	149.1	-92.1	72.3	0	0	0	124.3
973	S	31.6	Very low	35	Very low	95 Å²	95	133.1 Å²	133.1	66%	0.664	79%	0.786	S	S	*	*				69.3	129.1	124.6	70	0	0	0	0	124
974	S	36.8	Very low	34.9	Very low	114 Å²	114	128.4 Å²	128.4	80%	0.797	79%	0.785	S	S	*	*			trans	74.4	139.5	151.2	-54.9	0	0	0	0	117.3
975	P	36.4	Very low	35.2	Very low	132 Å²	132	128 Å²	128	86%	0.857	79%	0.788	S	S	*	*				-147.9	162.5	79	40	-22.8	0	0	0	117.5
976	A	27.3	Very low	34.6	Very low	94 Å²	94	134.9 Å²	134.9	78%	0.777	82%	0.818	S	S	*	*			trans	-154.9	162.3	154.1	0	0	0	0	0	108
977	P	48.6	Very low	34.7	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	81%	0.814	S	S	*	*			cis	-124.6	-179.4	-29.4	38.4	-24.1	0	0	0	111.7
978	S	27.8	Very low	35	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	82%	0.815	S	S	*	*			trans	-137.5	109.8	159	52.4	0	0	0	0	113.3
979	H	32.5	Very low	35.1	Very low	175 Å²	175	133.9 Å²	133.9	81%	0.81	82%	0.816	S	S	*	*			trans	-60.5	162.4	150.3	-78.4	-84.1	0	0	0	109.2
980	S	31.9	Very low	34.3	Very low	84 Å²	84	135.4 Å²	135.4	59%	0.587	82%	0.823	S	S	*	*			cis	-177.8	159.9	4.5	35.9	0	0	0	0	107.7
981	Y	28.9	Very low	34.4	Very low	228 Å²	228	134.9 Å²	134.9	89%	0.894	83%	0.826	S	S	*	*				179.3	159.1	113.3	-111.5	-84.1	0	0	0	114.7
982	H	35.9	Very low	34.7	Very low	191 Å²	191	136.3 Å²	136.3	88%	0.884	83%	0.828	S	S	*	*			trans	-86.7	159.1	179.2	-102.7	-62.2	0	0	0	114.1
983	G	29.9	Very low	34.8	Very low	78 Å²	78	134.6 Å²	134.6	80%	0.804	83%	0.828	S	S	*	*			trans	158.3	140	155.3	0	0	0	0	0	111.1
984	G	36.1	Very low	35.1	Very low	80 Å²	80	137.7 Å²	137.7	83%	0.825	84%	0.84	S	S	*	*			cis	159.2	109.7	-0.7	0	0	0	0	0	110.3
985	V	40.7	Very low	35	Very low	139 Å²	139	139.7 Å²	139.7	84%	0.842	84%	0.844	S	S	*	*			trans	-17.2	131.6	171	175.6	0	0	0	0	117.8
986	L	43.5	Very low	34.8	Very low	238 Å²	238	140.4 Å²	140.4	100%	1.246	84%	0.843	S	S	*	*				-149.5	0	121.1	-110.8	167.6	0	0	0	110.7

Retrieved 986 of 986 residues in 6306.8 ms (Link to these results)

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