A0A087Y9M8_POEFO Loading...

U2 snRNP-associated SURP motif-containing protein

AlphaFold DB , UniProt , Accession A0A087Y9M8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 972 aa.

						>A0A087Y9M8_POEFO|A0A087Y9M8
MADRTPGSQKASAKALLESKLKSFSIGKMAVAKRTLSKKEQDEIKKKEDERAAAEIYEEFLAAFEGGGENKVKAFVRGGLANASKEESASDDKRGKLYKPKSRFETQPKSILPLETPSQFLPADKRNTLKKGSEKEKKKSNLELFKEELKQIQEERDERHRMKGRVSRFEPLPGSEGRRSSDGSSRRNRPSSVLDDCAPGSHDVGDPSTTNLYLGNINPQMNEEMLCQEFGRYGPLASVKIMWPRTDEERARERNCGFVAFMNRRDAERALKNLNGKMIMNFEMKLGWGKGVPIPPHPIYIPPSMMEHTLPPPPSGLPFNAQPRERLKNPNAPMIPPPKNKEEFEKTLSQAIVKVVIPTERNLLSLIHRMIEFVVREGPMFEAMIMNREINNPMYRFLFDNQSPAHVYYRWKLYTILQGESPAKWRTEDFRMFKNGSLWRPPPLNPYLHGPYDDGDEEEEEEEGNKKGSLKEEERDKLEEMLRGLSPRRGDVAEAMLFCLNHAEAAEEIVECITESLSILKTPLPKKIARLYLVSDVLYNSSAKVSNASYYRKYFETKLSQIFADLNATYKTIQGHLQSENFKQRVMSCFRAWEDWAVYPDPFLIKLQNIFLGLVNLSSEKEVPLVVEPEPAEDLDGAPLGEFVDGAPLEDVDGVPIDAVPIDGAPIDGAPLDDLDGVPIKSIDDDIDGVPLDQSAGATFKVAPSKWEAVDEAELQAQAVTTSKWEIFEQPEESKKGEADSDDDDRSPRSEDNQSYSNPIRDDSDLKAKMSEMNEEKRTKLREIEVKVMKFQDELESGKRPKKPGQSIQEQVEHYRDKLLQKEKEKEKLEREKEREKKEKEKAEARLKELKKEKEKDDTPTRKERKRHHSGSPSPLRSGSRRGRSSSPRSERSERSERSDRSYSKDTSSRSSHKDSPRSSNKKSSKRSPSSPRTPKRSRRSRSRTPKKSTKKSRSRSRSPHRSHKKSKKSKH
					

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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	33	Very low	34.2	Very low	250 Å²	250	140.7 Å²	140.7	100%	1.232	81%	0.814	S	S	*	*				0	141.1	0	-59.2	174.8	-178.5	0	0	107.4
2	A	33.9	Very low	35	Very low	95 Å²	95	137.3 Å²	137.3	79%	0.785	80%	0.804	S	S	*	*			cis	-168.8	158.9	-21	0	0	0	0	0	105.7
3	D	35.3	Very low	35.6	Very low	116 Å²	116	133.5 Å²	133.5	62%	0.62	80%	0.798	S	S	*	*			cis	-156.7	167	-1.3	-150.7	-8	0	0	0	111
4	R	33.3	Very low	36.4	Very low	216 Å²	216	137.9 Å²	137.9	82%	0.815	80%	0.802	S	S	*	*			trans	61.2	143.9	155.4	-76.2	162.4	-132.3	-133.5	-4.6	123.8
5	T	33.8	Very low	37.2	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	79%	0.791	S	S	*	*			trans	-113.8	-168.6	172.8	50.8	0	0	0	0	109.5
6	P	49.6	Very low	37.7	Very low	127 Å²	127	133.3 Å²	133.3	83%	0.825	78%	0.782	S	S	*	*			cis	-125.8	176.9	-47	31.8	-14.6	0	0	0	113.2
7	G	28	Very low	38.2	Very low	80 Å²	80	132.7 Å²	132.7	83%	0.825	78%	0.775	S	S	*	*			trans	-154.7	96.9	176.5	0	0	0	0	0	117.3
8	S	30.8	Very low	38.5	Very low	99 Å²	99	133.1 Å²	133.1	69%	0.692	77%	0.768	S	S	*	*			trans	8.9	131.5	159.4	-135.1	0	0	0	0	123.6
9	Q	31.4	Very low	38.8	Very low	145 Å²	145	130.7 Å²	130.7	68%	0.678	76%	0.76	S	S	*	*				44.5	143.4	124.6	-62.1	-177.4	28.4	0	0	120.9
10	K	33.8	Very low	39	Very low	180 Å²	180	132.7 Å²	132.7	78%	0.783	76%	0.759	S	S	*	*			cis	-168.7	127.7	16.6	-116.2	155.8	178.5	150.9	0	108
11	A	33.8	Very low	39.3	Very low	108 Å²	108	133.3 Å²	133.3	89%	0.893	76%	0.759	S	S	*	*			trans	-179.2	56.1	157.9	0	0	0	0	0	115.5
12	S	43	Very low	39.9	Very low	99 Å²	99	129.8 Å²	129.8	69%	0.692	74%	0.737	S	S	*	*			trans	-150.6	78.5	168.1	-164.4	0	0	0	0	113.3
13	A	43.5	Very low	40.3	Very low	88 Å²	88	129.2 Å²	129.2	73%	0.727	73%	0.727	S	S	*	*	S	Bend	trans	-125.6	-10.3	179.2	0	0	0	0	0	114.6
14	K	46.8	Very low	40.4	Very low	195 Å²	195	133 Å²	133	85%	0.848	74%	0.738	S	S	*	*	S	Bend	trans	-91.2	-39.5	176.8	-84	-173.6	170.2	-177.4	0	113.9	L16	K14-L16 VanDerWaalsContact C-N 3.28Å; K14-L16 PolarHBondContact O-N 3.38Å
15	A	48.4	Very low	40.3	Very low	78 Å²	78	128.4 Å²	128.4	65%	0.645	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-19.3	-172.9	0	0	0	0	0	115.3
16	L	44.6	Very low	40.4	Very low	124 Å²	124	131 Å²	131	65%	0.649	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-10.2	-174	-104.8	164.6	0	0	0	115	K14	K14-L16 VanDerWaalsContact C-N 3.28Å; K14-L16 PolarHBondContact O-N 3.38Å
17	L	46	Very low	39.5	Very low	124 Å²	124	128.2 Å²	128.2	65%	0.649	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	-33.5	-177.3	-138.4	157.2	0	0	0	111.8
18	E	44.1	Very low	39.9	Very low	139 Å²	139	134.1 Å²	134.1	65%	0.65	74%	0.743	S	S	*	*	S	Bend	trans	-73.4	-26.4	179.5	-166.4	168.5	-161.1	0	0	113.5
19	S	44.7	Very low	40	Very low	88 Å²	88	138.5 Å²	138.5	62%	0.615	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-74.3	-30.9	178.1	-170.5	0	0	0	0	113.1	L21	S19-L21 PolarHBondContact O-N 3.37Å
20	K	42.4	Very low	40.6	Very low	171 Å²	171	136.2 Å²	136.2	74%	0.743	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-83.3	-3.6	-179.5	-77	-169.5	171.8	-176.5	0	115
21	L	45.2	Very low	40.7	Very low	145 Å²	145	134 Å²	134	76%	0.759	76%	0.763	S	S	*	*	G	3₁₀ helix	trans	-94.4	2.4	178.7	-96.2	162.8	0	0	0	114.4	S19	S19-L21 PolarHBondContact O-N 3.37Å
22	K	45.9	Very low	41	Very low	177 Å²	177	133.5 Å²	133.5	77%	0.77	76%	0.759	S	S	*	*	S	Bend	trans	-112.5	10.7	-175.3	-72.8	178.4	177.5	167.8	0	115
23	S	42.8	Very low	41.1	Very low	82 Å²	82	138.4 Å²	138.4	57%	0.573	77%	0.767	S	S	*	*	S	Bend	trans	-133.8	23.9	-167.2	53.9	0	0	0	0	116.4
24	F	36.3	Very low	41.5	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.864	78%	0.777	S	S	*	*			trans	-138.1	161.8	167.9	-91.5	-85.1	0	0	0	112.2
25	S	31.3	Very low	41.8	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	78%	0.776	S	S	*	*			trans	78.2	72	175.7	-54.4	0	0	0	0	117.9
26	I	36.3	Very low	42.1	Very low	186 Å²	186	144.1 Å²	144.1	95%	0.954	77%	0.771	S	S	*	*			trans	-78.8	124.9	147.5	-80.2	173	0	0	0	108.1
27	G	29.4	Very low	43.1	Very low	70 Å²	70	141.4 Å²	141.4	72%	0.722	76%	0.762	S	S	*	*			trans	174.7	91.7	178.4	0	0	0	0	0	116.3
28	K	37.2	Very low	44	Very low	203 Å²	203	142.9 Å²	142.9	88%	0.883	76%	0.763	S	S	*	*			trans	25.8	111.5	155.2	-60.4	177.5	-179	177.4	0	119
29	M	32.8	Very low	45	Very low	191 Å²	191	142.7 Å²	142.7	94%	0.941	76%	0.76	S	S	*	*				-164.9	151.4	115.4	-102.8	-53.4	-168.8	0	0	110.3
30	A	43.7	Very low	46.4	Very low	97 Å²	97	142.7 Å²	142.7	80%	0.802	75%	0.75	S	S	*	*			trans	-98.9	124.7	-177.2	0	0	0	0	0	111.8
31	V	36.9	Very low	47.6	Very low	135 Å²	135	139.8 Å²	139.8	82%	0.818	74%	0.739	S	S	*	*			trans	-133.1	125.6	165.2	-178.6	0	0	0	0	107.8	K33	V31-K33 PolarHBondContact O-N 3.02Å
32	A	39.8	Very low	48.9	Very low	97 Å²	97	137.4 Å²	137.4	80%	0.802	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-69.1	120	-175.2	0	0	0	0	0	111.1	R34	A32-R34 PolarHBondContact O-N 2.94Å
33	K	44.5	Very low	50.4	Low	202 Å²	202	134.2 Å²	134.2	88%	0.878	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-71.8	119.7	168.3	-69.1	-175.3	178	-178.1	0	108.7	V31 T35	V31-K33 PolarHBondContact O-N 3.02Å; K33-T35 PolarHBondContact O-N 3.44Å
34	R	52.8	Low	52	Low	244 Å²	244	134.4 Å²	134.4	92%	0.921	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-58	127.2	166.1	-84.1	179.8	165.6	150	-4.3	108.9	A32 L36	A32-R34 PolarHBondContact O-N 2.94Å; R34-L36 PolarHBondContact O-N 2.83Å
35	T	52	Low	54.1	Low	137 Å²	137	131 Å²	131	84%	0.84	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.7	127.9	160.9	42.8	0	0	0	0	108.1	K33	K33-T35 PolarHBondContact O-N 3.44Å
36	L	56.2	Low	56.7	Low	100 Å²	100	132 Å²	132	52%	0.524	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-57.8	139.8	175.8	-73.5	165	0	0	0	109.7	R34	R34-L36 PolarHBondContact O-N 2.83Å
37	S	65.1	Low	59.1	Low	66 Å²	66	130.6 Å²	130.6	46%	0.462	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-63.7	146.2	178.7	-177.6	0	0	0	0	110.3	K39 E40 Q41	S37-K39 PolarHBondContact O-N 3.36Å; S37-K39 VanDerWaalsContact O-N 3.08Å; S37-E40 WeakPolarHBondContact CB-OE2 3.46Å; S37-E40 PolarHBondContact N-OE2 3.15Å; S37-E40 WeakPolarHBondContact O-CA 3.46Å; S37-E40 WeakPolarHBondContact O-CB 3.37Å; S37-E40 PolarHBondContact O-N 3.17Å; S37-Q41 PolarHBondContact O-N 3.39Å; S37-Q41 VanDerWaalsContact O-N 3.12Å
38	K	64	Low	61.4	Low	155 Å²	155	133.3 Å²	133.3	67%	0.674	66%	0.664	S	S	*	*	H	α-helix	trans	-52	-35.1	174.1	-175.7	171.1	-179.9	174.2	0	112	E40 Q41 D42	K38-E40 PolarHBondContact O-N 3.17Å; K38-Q41 PolarHBondContact O-N 3.2Å; K38-D42 PolarHBondContact O-N 3.06Å
39	K	66.5	Low	63.3	Low	135 Å²	135	128.4 Å²	128.4	59%	0.587	65%	0.647	S	S	*	*	H	α-helix	trans	-64.4	-37.7	175.4	-167.1	-173	177.1	-133.5	0	113.2	S37 D42 E43	S37-K39 PolarHBondContact O-N 3.36Å; S37-K39 VanDerWaalsContact O-N 3.08Å; K39-D42 PolarHBondContact O-N 3.03Å; K39-E43 WeakPolarHBondContact CE-OE1 3.5Å; K39-E43 IonicContact NZ-OE1 2.69Å; K39-E43 PolarHBondContact NZ-OE1 3.22Å; K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.45Å; K39-E43 PolarHBondContact O-N 3.24Å
40	E	73.1	Confident	65.5	Low	88 Å²	88	125.2 Å²	125.2	41%	0.411	63%	0.63	S	S	.	*	H	α-helix	trans	-70	-35.7	176.4	-65.3	169.6	116.6	0	0	110.8	S37 K38 E43 I44	S37-E40 WeakPolarHBondContact CB-OE2 3.46Å; S37-E40 PolarHBondContact N-OE2 3.15Å; S37-E40 WeakPolarHBondContact O-CA 3.46Å; S37-E40 WeakPolarHBondContact O-CB 3.37Å; S37-E40 PolarHBondContact O-N 3.17Å; K38-E40 PolarHBondContact O-N 3.17Å; E40-E43 PolarHBondContact O-N 2.91Å; E40-I44 WeakPolarHBondContact O-CB 3.44Å; E40-I44 WeakPolarHBondContact O-CD1 3.22Å; E40-I44 WeakPolarHBondContact O-CG1 3.28Å; E40-I44 PolarHBondContact O-N 2.92Å
41	Q	68.6	Low	67.2	Low	111 Å²	111	129 Å²	129	52%	0.519	62%	0.624	S	S	.	*	H	α-helix	trans	-65	-43.5	173.8	-64	179.2	-14.6	0	0	111.9	S37 K38 I44 K45	S37-Q41 PolarHBondContact O-N 3.39Å; S37-Q41 VanDerWaalsContact O-N 3.12Å; K38-Q41 PolarHBondContact O-N 3.2Å; Q41-I44 PolarHBondContact O-N 3.13Å; Q41-K45 WeakPolarHBondContact O-CB 3.44Å; Q41-K45 PolarHBondContact O-N 2.84Å
42	D	71.2	Confident	69.4	Low	95 Å²	95	124.7 Å²	124.7	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-66.1	-37.6	175.7	-67.3	-32.9	0	0	0	111.9	K38 K39 K46	K38-D42 PolarHBondContact O-N 3.06Å; K39-D42 PolarHBondContact O-N 3.03Å; D42-K46 WeakPolarHBondContact O-CB 3.08Å; D42-K46 PolarHBondContact O-N 2.87Å
43	E	77.1	Confident	71.2	Confident	109 Å²	109	123 Å²	123	51%	0.509	59%	0.588	S	S	.	*	H	α-helix	trans	-70	-38.4	174.9	-78.9	177.1	-172.2	0	0	112.9	K39 E40 K47	K39-E43 WeakPolarHBondContact CE-OE1 3.5Å; K39-E43 IonicContact NZ-OE1 2.69Å; K39-E43 PolarHBondContact NZ-OE1 3.22Å; K39-E43 WeakPolarHBondContact O-CB 3.39Å; K39-E43 WeakPolarHBondContact O-CG 3.45Å; K39-E43 PolarHBondContact O-N 3.24Å; E40-E43 PolarHBondContact O-N 2.91Å; E43-K47 WeakPolarHBondContact O-CB 3.35Å; E43-K47 PolarHBondContact O-N 2.83Å
44	I	76.9	Confident	73	Confident	86 Å²	86	116 Å²	116	44%	0.441	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-50.1	172.7	-71.6	162.7	0	0	0	110	E40 Q41 K46 K47 E48	E40-I44 WeakPolarHBondContact O-CB 3.44Å; E40-I44 WeakPolarHBondContact O-CD1 3.22Å; E40-I44 WeakPolarHBondContact O-CG1 3.28Å; E40-I44 PolarHBondContact O-N 2.92Å; Q41-I44 PolarHBondContact O-N 3.13Å; I44-K46 PolarHBondContact O-N 3.4Å; I44-K47 WeakPolarHBondContact O-CA 3.06Å; I44-K47 WeakPolarHBondContact O-CB 3.47Å; I44-K47 PolarHBondContact O-N 3.46Å; I44-E48 PolarHBondContact O-N 2.68Å
45	K	80.8	Confident	74.3	Confident	127 Å²	127	109.5 Å²	109.5	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-62.6	-43.7	-178.1	-173.8	170.3	-177.3	174.3	0	112.3	Q41 K47 E48 D49	Q41-K45 WeakPolarHBondContact O-CB 3.44Å; Q41-K45 PolarHBondContact O-N 2.84Å; K45-K47 PolarHBondContact O-N 2.89Å; K45-E48 PolarHBondContact O-N 2.84Å; K45-E48 VanDerWaalsContact O-N 3.11Å; K45-D49 PolarHBondContact O-N 2.99Å
46	K	86.2	Confident	75.7	Confident	138 Å²	138	108.3 Å²	108.3	60%	0.6	54%	0.535	S	S	*	.	H	α-helix	trans	-56.1	-38.7	173	-176.8	-172.4	170.2	-165	0	111.7	D42 I44 D49 E50	D42-K46 WeakPolarHBondContact O-CB 3.08Å; D42-K46 PolarHBondContact O-N 2.87Å; I44-K46 PolarHBondContact O-N 3.4Å; K46-D49 PolarHBondContact O-N 3.45Å; K46-E50 VanDerWaalsContact O-CB 3.26Å; K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 PolarHBondContact O-N 2.93Å
47	K	85.6	Confident	76.6	Confident	157 Å²	157	110.4 Å²	110.4	68%	0.683	54%	0.538	S	S	*	.	H	α-helix	trans	-72.8	-26.5	180	-167.9	173.9	-176.7	176.6	0	113.2	E43 I44 K45 R51	E43-K47 WeakPolarHBondContact O-CB 3.35Å; E43-K47 PolarHBondContact O-N 2.83Å; I44-K47 WeakPolarHBondContact O-CA 3.06Å; I44-K47 WeakPolarHBondContact O-CB 3.47Å; I44-K47 PolarHBondContact O-N 3.46Å; K45-K47 PolarHBondContact O-N 2.89Å; K47-R51 WeakPolarHBondContact O-CB 3.46Å; K47-R51 PolarHBondContact O-N 2.74Å
48	E	78.4	Confident	77	Confident	127 Å²	127	114.1 Å²	114.1	59%	0.593	55%	0.547	S	S	*	.	H	α-helix	trans	-73.7	-45.8	169.1	-67.7	-179.8	140.2	0	0	111	I44 K45 E50 R51 A52	I44-E48 PolarHBondContact O-N 2.68Å; K45-E48 PolarHBondContact O-N 2.84Å; K45-E48 VanDerWaalsContact O-N 3.11Å; E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 3.17Å; E48-R51 WeakPolarHBondContact O-CB 3.49Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 VanDerWaalsContact O-N 3.16Å; E48-A52 PolarHBondContact O-N 2.87Å
49	D	76.7	Confident	77.4	Confident	99 Å²	99	113.5 Å²	113.5	53%	0.529	55%	0.547	S	S	.	.	H	α-helix	trans	-59.6	-41.9	175.7	-67.3	-31.8	0	0	0	111.8	K45 K46 R51 A52 A53	K45-D49 PolarHBondContact O-N 2.99Å; K46-D49 PolarHBondContact O-N 3.45Å; D49-R51 VanDerWaalsContact C-N 3.35Å; D49-A52 PolarHBondContact O-N 3.27Å; D49-A53 WeakPolarHBondContact O-CB 3.46Å; D49-A53 PolarHBondContact O-N 3.19Å
50	E	79.4	Confident	78.1	Confident	124 Å²	124	112.9 Å²	112.9	58%	0.579	54%	0.544	S	S	*	.	H	α-helix	trans	-67.1	-32.6	176.9	-173.9	166.5	-165.6	0	0	112.4	K46 E48 A54	K46-E50 VanDerWaalsContact O-CB 3.26Å; K46-E50 WeakPolarHBondContact O-CB 3.33Å; K46-E50 PolarHBondContact O-N 2.93Å; E48-E50 VanDerWaalsContact C-N 3.34Å; E48-E50 PolarHBondContact O-N 3.17Å; E50-A54 PolarHBondContact O-N 2.89Å
51	R	79.6	Confident	77.9	Confident	176 Å²	176	112.3 Å²	112.3	66%	0.664	54%	0.544	S	S	*	.	H	α-helix	trans	-71.4	-46.4	174	-170.5	-172.6	-144.4	134.7	8.2	111.9	K47 E48 D49 A53 A54 E55	K47-R51 WeakPolarHBondContact O-CB 3.46Å; K47-R51 PolarHBondContact O-N 2.74Å; E48-R51 WeakPolarHBondContact O-CB 3.49Å; E48-R51 PolarHBondContact O-N 3.25Å; E48-R51 VanDerWaalsContact O-N 3.16Å; D49-R51 VanDerWaalsContact C-N 3.35Å; R51-A53 VanDerWaalsContact C-N 3.26Å; R51-A53 PolarHBondContact O-N 3.19Å; R51-A54 WeakPolarHBondContact O-CB 3.37Å; R51-A54 PolarHBondContact O-N 3.43Å; R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 IonicContact NE-OE1 3.33Å; R51-E55 PolarHBondContact O-N 2.93Å
52	A	82.9	Confident	78.1	Confident	45 Å²	45	110.3 Å²	110.3	37%	0.372	55%	0.546	S	S	.	.	H	α-helix	trans	-61.2	-37.2	177.2	0	0	0	0	0	111.6	E48 D49 A54 E55 I56	E48-A52 PolarHBondContact O-N 2.87Å; D49-A52 PolarHBondContact O-N 3.27Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A52-E55 PolarHBondContact O-N 3.39Å; A52-I56 WeakPolarHBondContact O-CD1 3.26Å; A52-I56 VanDerWaalsContact O-CG1 3.27Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 2.88Å
53	A	78.1	Confident	78	Confident	61 Å²	61	109.6 Å²	109.6	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-35.4	172.9	0	0	0	0	0	113	D49 R51 Y57	D49-A53 WeakPolarHBondContact O-CB 3.46Å; D49-A53 PolarHBondContact O-N 3.19Å; R51-A53 VanDerWaalsContact C-N 3.26Å; R51-A53 PolarHBondContact O-N 3.19Å; A53-Y57 WeakPolarHBondContact O-CB 3.42Å; A53-Y57 PolarHBondContact O-N 2.82Å; A53-Y57 VanDerWaalsContact O-N 3.15Å
54	A	82.8	Confident	77	Confident	55 Å²	55	112.4 Å²	112.4	46%	0.455	56%	0.564	S	S	.	*	H	α-helix	trans	-70.1	-43.5	174.9	0	0	0	0	0	112.2	E50 R51 A52 I56 Y57 E58	E50-A54 PolarHBondContact O-N 2.89Å; R51-A54 WeakPolarHBondContact O-CB 3.37Å; R51-A54 PolarHBondContact O-N 3.43Å; A52-A54 VanDerWaalsContact C-N 3.34Å; A54-I56 PolarHBondContact O-N 3.22Å; A54-Y57 WeakPolarHBondContact O-CB 3.27Å; A54-Y57 PolarHBondContact O-N 2.65Å; A54-Y57 VanDerWaalsContact O-N 3.13Å; A54-E58 PolarHBondContact O-N 3.04Å
55	E	78.6	Confident	76.1	Confident	109 Å²	109	116.6 Å²	116.6	51%	0.509	58%	0.582	S	S	.	*	H	α-helix	trans	-62.8	-41.1	177.8	-71.6	168.7	-169.2	0	0	111.6	R51 A52 Y57 E58 E59	R51-E55 WeakPolarHBondContact CG-OE1 3.43Å; R51-E55 IonicContact NE-OE1 3.33Å; R51-E55 PolarHBondContact O-N 2.93Å; A52-E55 PolarHBondContact O-N 3.39Å; E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 3.29Å; E55-E58 PolarHBondContact O-N 2.66Å; E55-E59 PolarHBondContact O-N 3.12Å
56	I	81.2	Confident	74.3	Confident	111 Å²	111	114.1 Å²	114.1	57%	0.569	59%	0.593	S	S	*	*	H	α-helix	trans	-65.8	-33.8	173.6	-67.3	165.1	0	0	0	111.8	A52 A54 F60	A52-I56 WeakPolarHBondContact O-CD1 3.26Å; A52-I56 VanDerWaalsContact O-CG1 3.27Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 2.88Å; A54-I56 PolarHBondContact O-N 3.22Å; I56-F60 WeakPolarHBondContact O-CB 3.41Å; I56-F60 PolarHBondContact O-N 3.25Å
57	Y	76.1	Confident	72	Confident	145 Å²	145	111.2 Å²	111.2	57%	0.569	60%	0.602	S	S	*	*	H	α-helix	trans	-72.7	-35.7	176	-177.3	-111.9	0	0	0	112.2	A53 A54 E55 F60 L61	A53-Y57 WeakPolarHBondContact O-CB 3.42Å; A53-Y57 PolarHBondContact O-N 2.82Å; A53-Y57 VanDerWaalsContact O-N 3.15Å; A54-Y57 WeakPolarHBondContact O-CB 3.27Å; A54-Y57 PolarHBondContact O-N 2.65Å; A54-Y57 VanDerWaalsContact O-N 3.13Å; E55-Y57 VanDerWaalsContact C-N 3.32Å; E55-Y57 PolarHBondContact O-N 3.29Å; Y57-F60 PolarHBondContact O-N 2.84Å; Y57-L61 HydrophobicContact CD1-CD1 4.11Å; Y57-L61 HydrophobicContact CE1-CD1 3.62Å; Y57-L61 HydrophobicContact CE1-CG 4.34Å; Y57-L61 HydrophobicContact CE2-CG 4.5Å; Y57-L61 WeakPolarHBondContact O-CG 3.18Å; Y57-L61 PolarHBondContact O-N 2.67Å
58	E	72.9	Confident	69.6	Low	143 Å²	143	107.1 Å²	107.1	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-67.5	-43.5	173.6	-170.2	168.9	-160.6	0	0	111.4	A54 E55 F60 L61 A62	A54-E58 PolarHBondContact O-N 3.04Å; E55-E58 PolarHBondContact O-N 2.66Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 2.7Å; E58-L61 PolarHBondContact O-N 2.82Å; E58-A62 WeakPolarHBondContact O-CB 3.34Å; E58-A62 PolarHBondContact O-N 3.37Å
59	E	73.6	Confident	67.6	Low	143 Å²	143	109.8 Å²	109.8	67%	0.668	62%	0.617	S	S	*	*	H	α-helix	trans	-59.7	-41.8	171.5	-173.9	178.2	-161.8	0	0	111.8	E55 L61 A62 A63	E55-E59 PolarHBondContact O-N 3.12Å; E59-L61 PolarHBondContact O-N 3.18Å; E59-A62 PolarHBondContact O-N 2.96Å; E59-A63 WeakPolarHBondContact O-CB 3.44Å; E59-A63 PolarHBondContact O-N 3.28Å
60	F	79.5	Confident	65.5	Low	121 Å²	121	110.6 Å²	110.6	53%	0.531	62%	0.621	S	S	.	*	H	α-helix	trans	-64.4	-37.2	176.3	178.6	-94.1	0	0	0	113.2	I56 Y57 E58 F64	I56-F60 WeakPolarHBondContact O-CB 3.41Å; I56-F60 PolarHBondContact O-N 3.25Å; Y57-F60 PolarHBondContact O-N 2.84Å; E58-F60 VanDerWaalsContact C-N 3.33Å; E58-F60 PolarHBondContact O-N 2.7Å; F60-F64 HydrophobicContact CE2-CE2 4.1Å; F60-F64 HydrophobicContact CZ-CD2 4.49Å; F60-F64 HydrophobicContact CZ-CE2 4.04Å
61	L	69.2	Low	63.5	Low	77 Å²	77	113.9 Å²	113.9	40%	0.403	63%	0.634	S	S	.	*	H	α-helix	trans	-72	-43.7	174.7	-71.8	175.6	0	0	0	111.8	Y57 E58 E59 A63 F64 E65	Y57-L61 HydrophobicContact CD1-CD1 4.11Å; Y57-L61 HydrophobicContact CE1-CD1 3.62Å; Y57-L61 HydrophobicContact CE1-CG 4.34Å; Y57-L61 HydrophobicContact CE2-CG 4.5Å; Y57-L61 WeakPolarHBondContact O-CG 3.18Å; Y57-L61 PolarHBondContact O-N 2.67Å; E58-L61 PolarHBondContact O-N 2.82Å; E59-L61 PolarHBondContact O-N 3.18Å; L61-A63 PolarHBondContact O-N 2.92Å; L61-F64 PolarHBondContact O-N 2.61Å; L61-E65 PolarHBondContact O-N 3.14Å
62	A	74	Confident	61.3	Low	68 Å²	68	112.4 Å²	112.4	56%	0.562	64%	0.644	S	S	*	*	H	α-helix	trans	-58	-33.2	176.5	0	0	0	0	0	112.5	E58 E59 F64	E58-A62 WeakPolarHBondContact O-CB 3.34Å; E58-A62 PolarHBondContact O-N 3.37Å; E59-A62 PolarHBondContact O-N 2.96Å; A62-F64 PolarHBondContact O-N 3.47Å
63	A	69.2	Low	59.4	Low	80 Å²	80	119.8 Å²	119.8	66%	0.661	67%	0.668	S	S	*	*	H	α-helix	trans	-66.2	-12.8	175.1	0	0	0	0	0	114.9	E59 L61	E59-A63 WeakPolarHBondContact O-CB 3.44Å; E59-A63 PolarHBondContact O-N 3.28Å; L61-A63 PolarHBondContact O-N 2.92Å
64	F	56.3	Low	57.4	Low	168 Å²	168	120.7 Å²	120.7	74%	0.737	68%	0.675	S	S	*	*	H	α-helix	trans	-111.7	-20.2	-179.4	-86.7	-89	0	0	0	115.1	F60 L61 A62	F60-F64 HydrophobicContact CE2-CE2 4.1Å; F60-F64 HydrophobicContact CZ-CD2 4.49Å; F60-F64 HydrophobicContact CZ-CE2 4.04Å; L61-F64 PolarHBondContact O-N 2.61Å; A62-F64 PolarHBondContact O-N 3.47Å
65	E	57.1	Low	54.8	Low	174 Å²	174	127.6 Å²	127.6	81%	0.813	70%	0.695	S	S	*	*	H	α-helix	trans	-90.3	-8.5	180	-63.3	-164.8	143.5	0	0	114.3	L61 G67	L61-E65 PolarHBondContact O-N 3.14Å; E65-G67 VanDerWaalsContact C-N 3.3Å; E65-G67 PolarHBondContact O-N 3.48Å
66	G	42.7	Very low	52.6	Low	75 Å²	75	128.4 Å²	128.4	77%	0.773	71%	0.707	S	S	*	*			trans	-73.9	60.5	179.7	0	0	0	0	0	115.9
67	G	38.6	Very low	50.3	Low	77 Å²	77	134.8 Å²	134.8	79%	0.794	72%	0.724	S	S	*	*			trans	-98.1	100.5	-179.6	0	0	0	0	0	114.9	E65	E65-G67 VanDerWaalsContact C-N 3.3Å; E65-G67 PolarHBondContact O-N 3.48Å
68	G	34	Very low	48	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	73%	0.734	S	S	*	*			trans	-167.6	87.1	178.9	0	0	0	0	0	117
69	E	37	Very low	46.1	Very low	182 Å²	182	128.1 Å²	128.1	85%	0.85	74%	0.738	S	S	*	*			trans	67	149.9	161.7	-57	-153.3	143.9	0	0	122.5
70	N	33.3	Very low	43.9	Very low	117 Å²	117	129.8 Å²	129.8	63%	0.626	75%	0.75	S	S	*	*			trans	71.7	100.2	163	-79.7	-70	0	0	0	122
71	K	36.3	Very low	41.5	Very low	193 Å²	193	128.2 Å²	128.2	84%	0.839	76%	0.759	S	S	*	*			trans	66	73.3	136.3	-62.2	174.6	-175.7	168.9	0	118.7
72	V	33.8	Very low	39.6	Very low	144 Å²	144	132.1 Å²	132.1	87%	0.873	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74.4	128.9	158.6	-178.3	0	0	0	0	110.5
73	K	43.7	Very low	37.5	Very low	201 Å²	201	133 Å²	133	87%	0.874	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-97	139.7	159.6	-78	-173.9	175.3	-178.1	0	109.3
74	A	35.3	Very low	35.5	Very low	79 Å²	79	134.9 Å²	134.9	65%	0.653	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-79.9	171.3	-175.8	0	0	0	0	0	113.2
75	F	28.5	Very low	34.3	Very low	201 Å²	201	135.5 Å²	135.5	88%	0.882	80%	0.799	S	S	*	*			trans	164.4	137.9	137.3	-77.1	-35.3	0	0	0	109.4
76	V	32.3	Very low	33.1	Very low	125 Å²	125	135.5 Å²	135.5	76%	0.758	80%	0.799	S	S	*	*			cis	-143.5	146	-17.6	150.1	0	0	0	0	107
77	R	33.4	Very low	32.4	Very low	246 Å²	246	141 Å²	141	93%	0.928	80%	0.804	S	S	*	*			trans	-116.3	110	164.5	-172.9	176.4	-174	163	1.8	108.2
78	G	27.7	Very low	31.9	Very low	76 Å²	76	143.1 Å²	143.1	78%	0.784	81%	0.807	S	S	*	*			trans	-74.4	130.4	-175.4	0	0	0	0	0	112.9
79	G	32.4	Very low	31.7	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	81%	0.808	S	S	*	*			trans	-135	153.3	168.1	0	0	0	0	0	109.7
80	L	27.3	Very low	31.4	Very low	178 Å²	178	141 Å²	141	93%	0.932	81%	0.806	S	S	*	*			trans	-85.8	160.1	-176.9	-83	74.9	0	0	0	112.9
81	A	29.2	Very low	31.2	Very low	87 Å²	87	142.9 Å²	142.9	72%	0.719	82%	0.817	S	S	*	*			trans	107.7	99.1	148.9	0	0	0	0	0	119.2
82	N	29.9	Very low	31.1	Very low	159 Å²	159	138.6 Å²	138.6	85%	0.85	80%	0.803	S	S	*	*				61	117.3	128.1	-61.7	9.1	0	0	0	122.9
83	A	28.8	Very low	31.1	Very low	87 Å²	87	139.6 Å²	139.6	72%	0.719	80%	0.796	S	S	*	*				70	92	122.8	0	0	0	0	0	121.1
84	S	28.5	Very low	30.6	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	80%	0.798	S	S	*	*				44	118.6	122.5	60	0	0	0	0	121.8
85	K	29.8	Very low	30.4	Very low	181 Å²	181	141.8 Å²	141.8	79%	0.787	81%	0.806	S	S	*	*			trans	-153.2	105.8	145.6	-162.6	163.3	-172.1	170.9	0	108.3
86	E	32	Very low	30.7	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	81%	0.808	S	S	*	*				61.7	135.7	94.8	-64.4	-177.1	136.4	0	0	116.3
87	E	29.3	Very low	30.8	Very low	190 Å²	190	143.8 Å²	143.8	89%	0.888	81%	0.811	S	S	*	*			trans	-119.1	130.4	162.6	-70.2	-168.4	148.6	0	0	110.3
88	S	28.3	Very low	30.8	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	80%	0.804	S	S	*	*				172.6	145.4	124.7	43.8	0	0	0	0	114.3
89	A	29.4	Very low	31.7	Very low	93 Å²	93	146.1 Å²	146.1	77%	0.769	80%	0.802	S	S	*	*			trans	71.9	148.9	153.6	0	0	0	0	0	123.6
90	S	30.5	Very low	32.1	Very low	116 Å²	116	147.8 Å²	147.8	81%	0.811	80%	0.8	S	S	*	*			trans	68.6	70.8	157.4	41	0	0	0	0	121.9
91	D	29.8	Very low	32.2	Very low	157 Å²	157	149 Å²	149	84%	0.84	80%	0.798	S	S	*	*				42.8	134.5	116.6	-140.9	3.4	0	0	0	125.7
92	D	33	Very low	32.4	Very low	103 Å²	103	149.6 Å²	149.6	55%	0.551	80%	0.796	S	S	*	*			trans	89.9	145.5	142.1	-141.8	9.4	0	0	0	125.7
93	K	35	Very low	32.6	Very low	165 Å²	165	151.1 Å²	151.1	72%	0.717	79%	0.79	S	S	*	*			trans	77.3	74.9	159.6	-77.5	149.3	-173.4	127.1	0	122.6
94	R	32.9	Very low	32.6	Very low	246 Å²	246	156.7 Å²	156.7	93%	0.928	80%	0.799	S	S	*	*				48.6	120.2	123.7	-59.8	175.7	-177.4	-171.3	0.1	121.3
95	G	30.9	Very low	32.6	Very low	80 Å²	80	156 Å²	156	83%	0.825	78%	0.782	S	S	*	*			trans	-155.7	122.6	160.9	0	0	0	0	0	114.3
96	K	34.3	Very low	32.7	Very low	213 Å²	213	153.2 Å²	153.2	93%	0.926	78%	0.78	S	S	*	*			trans	-84.6	125.8	-163.6	-66.6	172.7	179.9	172.8	0	116.4
97	L	35	Very low	32.6	Very low	154 Å²	154	153.1 Å²	153.1	81%	0.806	78%	0.78	S	S	*	*				18.7	130.4	125.9	-176.6	73.7	0	0	0	120.3
98	Y	33.7	Very low	33.4	Very low	200 Å²	200	148.5 Å²	148.5	78%	0.784	77%	0.767	S	S	*	*			trans	-148.7	156.6	146.7	-165.2	-113.6	0	0	0	114.3	P100	Y98-P100 HydrophobicContact CE1-CB 4.06Å; Y98-P100 HydrophobicContact CE1-CG 4.05Å
99	K	46.4	Very low	33.5	Very low	172 Å²	172	152 Å²	152	75%	0.748	77%	0.767	S	S	*	*			trans	-146.4	145.6	170.5	-66	178.3	-179.1	174.9	0	108.9
100	P	40.3	Very low	33.5	Very low	107 Å²	107	152.2 Å²	152.2	70%	0.695	76%	0.762	S	S	*	*			trans	-127.1	170	153.5	37	-26.1	0	0	0	114.4	Y98	Y98-P100 HydrophobicContact CE1-CB 4.06Å; Y98-P100 HydrophobicContact CE1-CG 4.05Å
101	K	28.9	Very low	33.3	Very low	204 Å²	204	154.3 Å²	154.3	89%	0.887	76%	0.763	S	S	*	*			trans	-137	152.2	175.4	-67.8	-179.1	175.9	-179.9	0	110.6
102	S	33.1	Very low	33.2	Very low	99 Å²	99	154.3 Å²	154.3	69%	0.692	76%	0.762	S	S	*	*			trans	62.5	121.6	134.4	179.4	0	0	0	0	122.7
103	R	34.4	Very low	34.3	Very low	190 Å²	190	154.5 Å²	154.5	72%	0.717	77%	0.769	S	S	*	*			trans	66.4	136.1	145.3	-72	178.7	107.9	155.1	7.5	121.3	E105	R103-E105 WeakPolarHBondContact CB-OE2 3.36Å; R103-E105 WeakPolarHBondContact CG-OE2 3.37Å; R103-E105 IonicContact CZ-OE1 3.06Å; R103-E105 IonicContact NE-OE1 3.18Å; R103-E105 PolarHBondContact NE-OE1 2.76Å; R103-E105 IonicContact NE-OE2 2.77Å; R103-E105 PolarHBondContact NE-OE2 2.88Å; R103-E105 IonicContact NH2-OE1 3.17Å; R103-E105 PolarHBondContact NH2-OE1 3.13Å
104	F	29.6	Very low	34.1	Very low	204 Å²	204	153.2 Å²	153.2	90%	0.895	77%	0.769	S	S	*	*				-161.2	171.1	115.9	-115.6	-76.8	0	0	0	111.7
105	E	29	Very low	33.9	Very low	104 Å²	104	149.3 Å²	149.3	49%	0.486	76%	0.761	S	S	.	*			trans	-145.7	147.4	-164.8	-69.8	111.8	103	0	0	108.9	R103	R103-E105 WeakPolarHBondContact CB-OE2 3.36Å; R103-E105 WeakPolarHBondContact CG-OE2 3.37Å; R103-E105 IonicContact CZ-OE1 3.06Å; R103-E105 IonicContact NE-OE1 3.18Å; R103-E105 PolarHBondContact NE-OE1 2.76Å; R103-E105 IonicContact NE-OE2 2.77Å; R103-E105 PolarHBondContact NE-OE2 2.88Å; R103-E105 IonicContact NH2-OE1 3.17Å; R103-E105 PolarHBondContact NH2-OE1 3.13Å
106	T	31.2	Very low	33.6	Very low	123 Å²	123	151.5 Å²	151.5	76%	0.755	76%	0.759	S	S	*	*			cis	-174.4	151.6	1.7	18.7	0	0	0	0	113
107	Q	30.2	Very low	34	Very low	174 Å²	174	146.4 Å²	146.4	81%	0.813	75%	0.747	S	S	*	*			trans	69.8	169.5	155	-65.6	-66.2	-15.9	0	0	119.9
108	P	45.9	Very low	33.9	Very low	93 Å²	93	143.7 Å²	143.7	60%	0.604	74%	0.742	S	S	*	*			cis	-139.7	174.8	-26	35.8	-16.4	0	0	0	117.8
109	K	31.1	Very low	33.9	Very low	196 Å²	196	141.1 Å²	141.1	85%	0.852	74%	0.737	S	S	*	*			trans	68.3	161.4	152	-77.9	169.9	-178.5	179.7	0	119.6
110	S	28.5	Very low	32.9	Very low	97 Å²	97	140.9 Å²	140.9	68%	0.678	74%	0.736	S	S	*	*			cis	-173.5	171.8	-13.3	48.4	0	0	0	0	113
111	I	26.5	Very low	32.4	Very low	159 Å²	159	143 Å²	143	82%	0.815	74%	0.741	S	S	*	*			trans	128.4	160.4	156.8	-65.7	163.9	0	0	0	115.7
112	L	28.4	Very low	33	Very low	157 Å²	157	139.3 Å²	139.3	82%	0.822	74%	0.738	S	S	*	*			trans	-134.5	-153.8	-159.2	-51.3	170	0	0	0	110.7
113	P	55.6	Low	32.8	Very low	108 Å²	108	138.1 Å²	138.1	70%	0.701	73%	0.733	S	S	*	*			cis	-142.3	-155.1	-11.4	32.1	-4.8	0	0	0	115.9
114	L	29.6	Very low	32.7	Very low	138 Å²	138	134.2 Å²	134.2	72%	0.723	73%	0.727	S	S	*	*			trans	85.4	143.6	166.2	-94.5	71.3	0	0	0	119.1
115	E	29.4	Very low	32.9	Very low	163 Å²	163	132 Å²	132	76%	0.762	72%	0.717	S	S	*	*			cis	-149.2	-178.1	-8.5	-157.2	151.4	-133.6	0	0	112.7
116	T	24.7	Very low	32.9	Very low	127 Å²	127	137 Å²	137	78%	0.779	73%	0.732	S	S	*	*			trans	-132.1	-168.9	-175.9	57.9	0	0	0	0	109.3
117	P	42.9	Very low	32.8	Very low	105 Å²	105	137.6 Å²	137.6	68%	0.682	73%	0.73	S	S	*	*			cis	-145.3	179.8	5.7	45.2	-26	0	0	0	118.8
118	S	33	Very low	32.8	Very low	98 Å²	98	134.6 Å²	134.6	69%	0.685	72%	0.723	S	S	*	*			trans	63.7	146.2	147.3	-70.9	0	0	0	0	120
119	Q	33	Very low	32.1	Very low	146 Å²	146	136.6 Å²	136.6	68%	0.682	73%	0.729	S	S	*	*			cis	-156.1	-174	6.3	-121.1	160.9	2.6	0	0	108.2
120	F	26.4	Very low	32	Very low	167 Å²	167	136.2 Å²	136.2	73%	0.732	73%	0.727	S	S	*	*			cis	-149.2	-154.8	9.5	-134.1	-43.8	0	0	0	111.2
121	L	28.9	Very low	32	Very low	151 Å²	151	141.6 Å²	141.6	79%	0.791	74%	0.738	S	S	*	*			trans	-150.9	179	-174.8	-74.7	-177.9	0	0	0	107.9
122	P	42.6	Very low	32	Very low	127 Å²	127	137.7 Å²	137.7	83%	0.825	74%	0.737	S	S	*	*			cis	-145.1	-156.2	22.4	42.5	-19.7	0	0	0	115.5
123	A	28.9	Very low	32.2	Very low	73 Å²	73	136.3 Å²	136.3	60%	0.603	74%	0.741	S	S	*	*				-171.8	-176.4	-64	0	0	0	0	0	111.3
124	D	30.5	Very low	31.1	Very low	109 Å²	109	140.1 Å²	140.1	58%	0.583	75%	0.749	S	S	*	*			trans	87.7	141.3	152.4	-78.8	38.7	0	0	0	122.6
125	K	33.9	Very low	31.7	Very low	157 Å²	157	143.1 Å²	143.1	68%	0.683	76%	0.756	S	S	*	*			cis	-177.7	-178.9	-28.7	-119.2	-163.6	-151.7	83.6	0	111.1
126	R	30.4	Very low	32.1	Very low	210 Å²	210	144.4 Å²	144.4	79%	0.792	76%	0.762	S	S	*	*			trans	87.7	140.9	158.6	-48.1	-170.9	-174.3	161.1	4.1	114.9
127	N	29.2	Very low	33	Very low	135 Å²	135	147.4 Å²	147.4	72%	0.722	76%	0.764	S	S	*	*			cis	-171.3	165	-4	-107.6	11.2	0	0	0	106.7
128	T	30.3	Very low	33.4	Very low	110 Å²	110	152.6 Å²	152.6	68%	0.675	78%	0.776	S	S	*	*			cis	-173.9	-178.8	-9.6	25.8	0	0	0	0	107.3
129	L	30.4	Very low	34.7	Very low	136 Å²	136	152.3 Å²	152.3	71%	0.712	76%	0.762	S	S	*	*			cis	-160.6	130.9	6.9	-128.1	165.5	0	0	0	111.1
130	K	29.2	Very low	36.5	Very low	188 Å²	188	148.7 Å²	148.7	82%	0.817	75%	0.753	S	S	*	*			trans	41.5	134.1	148.1	-82.3	177.7	-169.8	173.8	0	125.4
131	K	28.5	Very low	38.1	Very low	210 Å²	210	147.3 Å²	147.3	91%	0.913	75%	0.754	S	S	*	*				88.3	126.6	124.5	-174.4	-174.2	-178.6	-171.9	0	120.1
132	G	26.8	Very low	39.4	Very low	77 Å²	77	145.5 Å²	145.5	79%	0.794	74%	0.744	S	S	*	*			trans	150.7	95	158.9	0	0	0	0	0	113.4
133	S	32.9	Very low	40.6	Very low	128 Å²	128	144.1 Å²	144.1	90%	0.895	73%	0.727	S	S	*	*			trans	-107.8	106.8	173	60	0	0	0	0	110.4
134	E	31.7	Very low	42.6	Very low	188 Å²	188	145.2 Å²	145.2	88%	0.879	72%	0.722	S	S	*	*			trans	-120.1	142.7	170.4	-168.3	154	-139.6	0	0	110.1	E136	E134-E136 PolarHBondContact O-N 3.25Å
135	K	42.4	Very low	44.4	Very low	201 Å²	201	145.4 Å²	145.4	87%	0.874	72%	0.718	S	S	*	*			trans	-90.6	86.6	-171.7	-70.5	178.6	178.6	175.4	0	110.6	K137	K135-K137 PolarHBondContact O-N 2.84Å
136	E	37.5	Very low	46.3	Very low	190 Å²	190	144.3 Å²	144.3	89%	0.888	71%	0.713	S	S	*	*			trans	-63.4	133.5	164.5	-69	-151.4	131	0	0	110.5	E134	E134-E136 PolarHBondContact O-N 3.25Å
137	K	44.4	Very low	48.4	Very low	189 Å²	189	138 Å²	138	82%	0.822	69%	0.693	S	S	*	*			trans	-77.2	144.8	-179.6	-62.7	164.5	-173.9	169	0	108	K135 K139	K135-K137 PolarHBondContact O-N 2.84Å; K137-K139 PolarHBondContact O-N 3.23Å
138	K	50.3	Low	50.6	Low	214 Å²	214	136.6 Å²	136.6	93%	0.93	68%	0.681	S	S	*	*			trans	-59.1	110.1	170	-68.4	-176.6	174.4	-177.5	0	108.4
139	K	61.5	Low	52.7	Low	92 Å²	92	135.8 Å²	135.8	40%	0.4	67%	0.673	S	S	.	*			trans	-51.6	143.6	173.9	-73.1	-179.1	169.9	173.4	0	109.9	K137 E143 E147	K137-K139 PolarHBondContact O-N 3.23Å; K139-E143 WeakPolarHBondContact CA-OE2 3.46Å; K139-E143 HydrophobicContact CB-CB 4.35Å; K139-E143 HydrophobicContact CB-CG 4.32Å; K139-E143 WeakPolarHBondContact CB-OE2 3.44Å; K139-E143 HydrophobicContact CD-CG 4.38Å; K139-E143 HydrophobicContact CG-CG 4.35Å; K139-E147 IonicContact NZ-OE1 3.69Å; K139-E147 PolarHBondContact NZ-OE1 2.84Å; K139-E147 IonicContact NZ-OE2 2.64Å; K139-E147 PolarHBondContact NZ-OE2 3.23Å
140	S	69.3	Low	55.1	Low	70 Å²	70	135.9 Å²	135.9	49%	0.49	67%	0.667	S	S	.	*			trans	-68.7	152.3	177.6	-179.5	0	0	0	0	110.8	L142 E143 L144	S140-L142 PolarHBondContact O-N 2.93Å; S140-L142 VanDerWaalsContact O-N 3.14Å; S140-L142 PolarHBondContact OG-N 2.85Å; S140-E143 PolarHBondContact N-OE2 3.17Å; S140-E143 WeakPolarHBondContact O-CA 3.47Å; S140-E143 VanDerWaalsContact O-CB 3.28Å; S140-E143 WeakPolarHBondContact O-CB 3.24Å; S140-E143 PolarHBondContact O-N 3Å; S140-L144 PolarHBondContact O-N 3.29Å
141	N	60.6	Low	57.1	Low	138 Å²	138	133 Å²	133	74%	0.738	66%	0.657	S	S	*	*	H	α-helix	trans	-56	-31.1	171.9	-75.2	2.5	0	0	0	111.9	E143 F145	N141-E143 VanDerWaalsContact C-N 3.28Å; N141-E143 PolarHBondContact O-N 3.05Å; N141-F145 WeakPolarHBondContact O-CB 3.38Å; N141-F145 PolarHBondContact O-N 3.23Å
142	L	56.3	Low	59.3	Low	113 Å²	113	126.2 Å²	126.2	59%	0.592	63%	0.63	S	S	*	*	H	α-helix	trans	-69.2	-25.6	175.1	-165.2	76.5	0	0	0	113	S140 K146	S140-L142 PolarHBondContact O-N 2.93Å; S140-L142 VanDerWaalsContact O-N 3.14Å; S140-L142 PolarHBondContact OG-N 2.85Å; L142-K146 WeakPolarHBondContact O-CD 3.49Å; L142-K146 VanDerWaalsContact O-CG 3.25Å; L142-K146 WeakPolarHBondContact O-CG 3.48Å; L142-K146 PolarHBondContact O-N 3.13Å
143	E	66.9	Low	60.9	Low	98 Å²	98	127.4 Å²	127.4	46%	0.458	62%	0.615	S	S	.	*	H	α-helix	trans	-84.2	-44.1	178.7	-170	176.4	-171.1	0	0	110.2	K139 S140 N141 F145 K146 E147	K139-E143 WeakPolarHBondContact CA-OE2 3.46Å; K139-E143 HydrophobicContact CB-CB 4.35Å; K139-E143 HydrophobicContact CB-CG 4.32Å; K139-E143 WeakPolarHBondContact CB-OE2 3.44Å; K139-E143 HydrophobicContact CD-CG 4.38Å; K139-E143 HydrophobicContact CG-CG 4.35Å; S140-E143 PolarHBondContact N-OE2 3.17Å; S140-E143 WeakPolarHBondContact O-CA 3.47Å; S140-E143 VanDerWaalsContact O-CB 3.28Å; S140-E143 WeakPolarHBondContact O-CB 3.24Å; S140-E143 PolarHBondContact O-N 3Å; N141-E143 VanDerWaalsContact C-N 3.28Å; N141-E143 PolarHBondContact O-N 3.05Å; E143-F145 PolarHBondContact O-N 3.36Å; E143-K146 PolarHBondContact O-N 2.9Å; E143-E147 WeakPolarHBondContact O-CB 3.4Å; E143-E147 PolarHBondContact O-N 2.77Å
144	L	71.7	Confident	62.5	Low	96 Å²	96	126.6 Å²	126.6	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-54.7	-47	169.4	-99.1	158.2	0	0	0	112.3	S140 K146 E147 E148	S140-L144 PolarHBondContact O-N 3.29Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 2.95Å; L144-E147 WeakPolarHBondContact O-CB 3.34Å; L144-E147 PolarHBondContact O-N 2.56Å; L144-E147 VanDerWaalsContact O-N 3.16Å; L144-E148 WeakPolarHBondContact O-CB 3.48Å; L144-E148 PolarHBondContact O-N 2.78Å
145	F	67.4	Low	64.5	Low	113 Å²	113	121.9 Å²	121.9	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-66.9	-31.2	178.3	-172.8	-113.2	0	0	0	113.1	N141 E143 L149	N141-F145 WeakPolarHBondContact O-CB 3.38Å; N141-F145 PolarHBondContact O-N 3.23Å; E143-F145 PolarHBondContact O-N 3.36Å; F145-L149 HydrophobicContact CD1-CD1 4.02Å; F145-L149 HydrophobicContact CE1-CD1 3.58Å; F145-L149 HydrophobicContact CE1-CG 4.24Å; F145-L149 HydrophobicContact CZ-CD1 3.96Å; F145-L149 HydrophobicContact CZ-CD2 4.48Å; F145-L149 HydrophobicContact CZ-CG 4.21Å; F145-L149 WeakPolarHBondContact O-CB 3.24Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.34Å
146	K	75.1	Confident	65.3	Low	135 Å²	135	119.5 Å²	119.5	59%	0.587	56%	0.56	S	S	*	*	H	α-helix	trans	-71.9	-34.3	172	-75.6	173.1	-178.5	-176.6	0	112.1	L142 E143 L144 K150	L142-K146 WeakPolarHBondContact O-CD 3.49Å; L142-K146 VanDerWaalsContact O-CG 3.25Å; L142-K146 WeakPolarHBondContact O-CG 3.48Å; L142-K146 PolarHBondContact O-N 3.13Å; E143-K146 PolarHBondContact O-N 2.9Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 2.95Å; K146-K150 VanDerWaalsContact O-CB 3.25Å; K146-K150 WeakPolarHBondContact O-CB 3.28Å; K146-K150 PolarHBondContact O-N 2.82Å
147	E	73.9	Confident	66.5	Low	77 Å²	77	114.8 Å²	114.8	36%	0.36	54%	0.541	S	S	.	.	H	α-helix	trans	-70.4	-38.6	175	-164.6	160.6	-151	0	0	111.3	K139 E143 L144 K150 Q151	K139-E147 IonicContact NZ-OE1 3.69Å; K139-E147 PolarHBondContact NZ-OE1 2.84Å; K139-E147 IonicContact NZ-OE2 2.64Å; K139-E147 PolarHBondContact NZ-OE2 3.23Å; E143-E147 WeakPolarHBondContact O-CB 3.4Å; E143-E147 PolarHBondContact O-N 2.77Å; L144-E147 WeakPolarHBondContact O-CB 3.34Å; L144-E147 PolarHBondContact O-N 2.56Å; L144-E147 VanDerWaalsContact O-N 3.16Å; E147-K150 PolarHBondContact O-N 3.18Å; E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-N 3.5Å
148	E	76.1	Confident	67.7	Low	105 Å²	105	109 Å²	109	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-64.5	-50.6	172.4	-178	177.4	-156.5	0	0	112.4	L144 K150 Q151 I152	L144-E148 WeakPolarHBondContact O-CB 3.48Å; L144-E148 PolarHBondContact O-N 2.78Å; E148-K150 VanDerWaalsContact C-N 3.26Å; E148-K150 PolarHBondContact O-N 3.47Å; E148-Q151 PolarHBondContact O-N 2.79Å; E148-Q151 VanDerWaalsContact O-N 3.11Å; E148-I152 HydrophobicContact CG-CD1 4.16Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 2.74Å
149	L	73.1	Confident	68.4	Low	93 Å²	93	106.5 Å²	106.5	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-37.1	174.7	-76	175.9	0	0	0	112.1	F145 I152 Q153	F145-L149 HydrophobicContact CD1-CD1 4.02Å; F145-L149 HydrophobicContact CE1-CD1 3.58Å; F145-L149 HydrophobicContact CE1-CG 4.24Å; F145-L149 HydrophobicContact CZ-CD1 3.96Å; F145-L149 HydrophobicContact CZ-CD2 4.48Å; F145-L149 HydrophobicContact CZ-CG 4.21Å; F145-L149 WeakPolarHBondContact O-CB 3.24Å; F145-L149 WeakPolarHBondContact O-CG 3.39Å; F145-L149 PolarHBondContact O-N 3.34Å; L149-I152 PolarHBondContact O-N 3.43Å; L149-Q153 PolarHBondContact O-N 3.06Å; L149-Q153 VanDerWaalsContact O-N 3.12Å
150	K	80.4	Confident	68.1	Low	138 Å²	138	109.2 Å²	109.2	60%	0.6	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-43.6	173.5	-173.6	-172.4	170.8	-161.9	0	111.3	K146 E147 E148 I152 Q153 E154	K146-K150 VanDerWaalsContact O-CB 3.25Å; K146-K150 WeakPolarHBondContact O-CB 3.28Å; K146-K150 PolarHBondContact O-N 2.82Å; E147-K150 PolarHBondContact O-N 3.18Å; E148-K150 VanDerWaalsContact C-N 3.26Å; E148-K150 PolarHBondContact O-N 3.47Å; K150-I152 PolarHBondContact O-N 3.34Å; K150-Q153 PolarHBondContact O-N 2.85Å; K150-E154 VanDerWaalsContact O-CB 3.27Å; K150-E154 WeakPolarHBondContact O-CB 3.3Å; K150-E154 PolarHBondContact O-N 3.21Å
151	Q	71.7	Confident	67.6	Low	128 Å²	128	112.8 Å²	112.8	60%	0.598	52%	0.518	S	S	*	.	H	α-helix	trans	-61	-42.4	174.9	-79.1	-175	5.9	0	0	112.2	E147 E148 Q153 E154 E155	E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-N 3.5Å; E148-Q151 PolarHBondContact O-N 2.79Å; E148-Q151 VanDerWaalsContact O-N 3.11Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.32Å; Q151-E154 PolarHBondContact O-N 3.48Å; Q151-E155 WeakPolarHBondContact O-CB 3.45Å; Q151-E155 PolarHBondContact O-N 3.42Å
152	I	74.5	Confident	66.9	Low	68 Å²	68	112 Å²	112	35%	0.349	51%	0.512	S	S	.	.	H	α-helix	trans	-64.7	-32.8	178.3	-67.8	164.7	0	0	0	111.9	E148 L149 K150 R156	E148-I152 HydrophobicContact CG-CD1 4.16Å; E148-I152 WeakPolarHBondContact O-CG1 3.34Å; E148-I152 PolarHBondContact O-N 2.74Å; L149-I152 PolarHBondContact O-N 3.43Å; K150-I152 PolarHBondContact O-N 3.34Å; I152-R156 PolarHBondContact O-N 3.38Å
153	Q	60.1	Low	66.7	Low	102 Å²	102	114.9 Å²	114.9	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-75.2	-46.5	174.3	-169	60.2	46.8	0	0	111.5	L149 K150 Q151 E155 R156 D157	L149-Q153 PolarHBondContact O-N 3.06Å; L149-Q153 VanDerWaalsContact O-N 3.12Å; K150-Q153 PolarHBondContact O-N 2.85Å; Q151-Q153 VanDerWaalsContact C-N 3.28Å; Q151-Q153 PolarHBondContact O-N 3.32Å; Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 2.9Å; Q153-R156 WeakPolarHBondContact O-CB 3.45Å; Q153-R156 PolarHBondContact O-N 3.04Å; Q153-R156 VanDerWaalsContact O-N 3.15Å; Q153-D157 PolarHBondContact O-N 3.39Å
154	E	66.9	Low	65.6	Low	110 Å²	110	112.9 Å²	112.9	51%	0.514	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-33.5	176.9	-172.6	158.2	-160.9	0	0	111.7	K150 Q151 D157 E158	K150-E154 VanDerWaalsContact O-CB 3.27Å; K150-E154 WeakPolarHBondContact O-CB 3.3Å; K150-E154 PolarHBondContact O-N 3.21Å; Q151-E154 PolarHBondContact O-N 3.48Å; E154-D157 PolarHBondContact O-N 3.29Å; E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 PolarHBondContact O-N 3.42Å
155	E	73.5	Confident	64.1	Low	90 Å²	90	118 Å²	118	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-70.1	-39.1	172.9	-165.6	-155.9	171.4	0	0	112.3	Q151 Q153 D157 E158 R159	Q151-E155 WeakPolarHBondContact O-CB 3.45Å; Q151-E155 PolarHBondContact O-N 3.42Å; Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 2.9Å; E155-D157 VanDerWaalsContact C-N 3.34Å; E155-E158 PolarHBondContact O-N 2.75Å; E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 WeakPolarHBondContact O-CD 3.44Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 2.97Å; E155-R159 IonicContact OE1-CZ 3.82Å; E155-R159 IonicContact OE1-NE 2.71Å; E155-R159 PolarHBondContact OE1-NE 3.07Å; E155-R159 IonicContact OE1-NH2 3.26Å; E155-R159 PolarHBondContact OE1-NH2 2.85Å
156	R	59.4	Low	62.8	Low	150 Å²	150	118.9 Å²	118.9	57%	0.566	55%	0.552	S	S	*	*	H	α-helix	trans	-62.4	-43.7	171.3	-90.1	-171.5	168.1	84.3	-2.4	111.3	I152 Q153 R159 H160	I152-R156 PolarHBondContact O-N 3.38Å; Q153-R156 WeakPolarHBondContact O-CB 3.45Å; Q153-R156 PolarHBondContact O-N 3.04Å; Q153-R156 VanDerWaalsContact O-N 3.15Å; R156-R159 PolarHBondContact O-N 3.11Å; R156-H160 PolarHBondContact O-N 2.9Å
157	D	64.1	Low	61	Low	91 Å²	91	117.8 Å²	117.8	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-71.1	-34.2	179.7	-65.5	-17.5	0	0	0	111.2	Q153 E154 E155 H160 R161	Q153-D157 PolarHBondContact O-N 3.39Å; E154-D157 PolarHBondContact O-N 3.29Å; E155-D157 VanDerWaalsContact C-N 3.34Å; D157-H160 PolarHBondContact O-N 3.15Å; D157-R161 WeakPolarHBondContact O-CB 3.38Å; D157-R161 PolarHBondContact O-N 3.41Å
158	E	68.3	Low	58.9	Low	67 Å²	67	124.2 Å²	124.2	31%	0.313	58%	0.583	S	S	.	*	H	α-helix	trans	-63.4	-45.3	169.8	-175.3	77.3	-86.8	0	0	111.4	E154 E155 H160 R161 M162	E154-E158 WeakPolarHBondContact O-CB 3.44Å; E154-E158 PolarHBondContact O-N 3.42Å; E155-E158 PolarHBondContact O-N 2.75Å; E158-H160 VanDerWaalsContact C-N 3.33Å; E158-H160 PolarHBondContact O-N 3.14Å; E158-R161 CarbonylContact O-C 3.57Å; E158-R161 WeakPolarHBondContact O-CB 3.45Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-R161 VanDerWaalsContact O-N 3.12Å; E158-R161 IonicContact OE1-CZ 2.78Å; E158-R161 IonicContact OE1-NE 3.33Å; E158-R161 PolarHBondContact OE1-NE 3.28Å; E158-R161 IonicContact OE1-NH2 2.68Å; E158-R161 PolarHBondContact OE1-NH2 3Å; E158-R161 IonicContact OE2-CZ 3.21Å; E158-R161 IonicContact OE2-NH2 2.76Å; E158-R161 PolarHBondContact OE2-NH2 2.9Å; E158-M162 HydrophobicContact CG-CE 4.4Å; E158-M162 WeakPolarHBondContact O-CG 3.37Å; E158-M162 PolarHBondContact O-N 3.1Å
159	R	65.3	Low	56.6	Low	162 Å²	162	128.4 Å²	128.4	61%	0.611	60%	0.6	S	S	*	*	H	α-helix	trans	-62.2	-39.5	175	-72.6	163.9	179	-100.7	10.8	111.2	E155 R156 K163	E155-R159 WeakPolarHBondContact O-CB 3.34Å; E155-R159 WeakPolarHBondContact O-CD 3.44Å; E155-R159 WeakPolarHBondContact O-CG 3.35Å; E155-R159 PolarHBondContact O-N 2.97Å; E155-R159 IonicContact OE1-CZ 3.82Å; E155-R159 IonicContact OE1-NE 2.71Å; E155-R159 PolarHBondContact OE1-NE 3.07Å; E155-R159 IonicContact OE1-NH2 3.26Å; E155-R159 PolarHBondContact OE1-NH2 2.85Å; R156-R159 PolarHBondContact O-N 3.11Å; R159-K163 WeakPolarHBondContact O-CB 3.4Å; R159-K163 PolarHBondContact O-N 2.91Å; R159-K163 VanDerWaalsContact O-N 3.09Å
160	H	55.6	Low	54.4	Low	149 Å²	149	131.6 Å²	131.6	69%	0.69	61%	0.612	S	S	*	*	H	α-helix	trans	-66.3	-40.4	170.4	-98.2	-103.5	0	0	0	112.7	R156 D157 E158 K163 G164	R156-H160 PolarHBondContact O-N 2.9Å; D157-H160 PolarHBondContact O-N 3.15Å; E158-H160 VanDerWaalsContact C-N 3.33Å; E158-H160 PolarHBondContact O-N 3.14Å; H160-K163 PolarHBondContact O-N 3.28Å; H160-G164 PolarHBondContact O-N 3.39Å
161	R	58.6	Low	52	Low	145 Å²	145	130 Å²	130	55%	0.547	62%	0.616	S	S	.	*	H	α-helix	trans	-64.8	-39.8	178.2	-177	166.6	77.2	177	3.1	112.4	D157 E158 G164 R165	D157-R161 WeakPolarHBondContact O-CB 3.38Å; D157-R161 PolarHBondContact O-N 3.41Å; E158-R161 CarbonylContact O-C 3.57Å; E158-R161 WeakPolarHBondContact O-CB 3.45Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-R161 VanDerWaalsContact O-N 3.12Å; E158-R161 IonicContact OE1-CZ 2.78Å; E158-R161 IonicContact OE1-NE 3.33Å; E158-R161 PolarHBondContact OE1-NE 3.28Å; E158-R161 IonicContact OE1-NH2 2.68Å; E158-R161 PolarHBondContact OE1-NH2 3Å; E158-R161 IonicContact OE2-CZ 3.21Å; E158-R161 IonicContact OE2-NH2 2.76Å; E158-R161 PolarHBondContact OE2-NH2 2.9Å; R161-G164 PolarHBondContact O-N 3.3Å; R161-R165 PolarHBondContact O-N 3.25Å
162	M	45.9	Very low	49.8	Very low	123 Å²	123	131.8 Å²	131.8	61%	0.606	63%	0.629	S	S	*	*	H	α-helix	trans	-68.1	-44.1	172.5	-72	-161.7	179.7	0	0	111.5	E158 G164 R165	E158-M162 HydrophobicContact CG-CE 4.4Å; E158-M162 WeakPolarHBondContact O-CG 3.37Å; E158-M162 PolarHBondContact O-N 3.1Å; M162-G164 PolarHBondContact O-N 2.92Å; M162-R165 PolarHBondContact O-N 2.97Å
163	K	52.1	Low	47.6	Very low	172 Å²	172	134.5 Å²	134.5	75%	0.748	65%	0.65	S	S	*	*	H	α-helix	trans	-59.8	-32.9	175.7	-160.9	170.7	-173.3	176.8	0	112.2	R159 H160	R159-K163 WeakPolarHBondContact O-CB 3.4Å; R159-K163 PolarHBondContact O-N 2.91Å; R159-K163 VanDerWaalsContact O-N 3.09Å; H160-K163 PolarHBondContact O-N 3.28Å
164	G	43.9	Very low	46.2	Very low	57 Å²	57	133.3 Å²	133.3	59%	0.588	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-15.1	171.9	0	0	0	0	0	115.9	H160 R161 M162	H160-G164 PolarHBondContact O-N 3.39Å; R161-G164 PolarHBondContact O-N 3.3Å; M162-G164 PolarHBondContact O-N 2.92Å
165	R	39.3	Very low	44.3	Very low	204 Å²	204	133.5 Å²	133.5	77%	0.77	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-16.6	-179.7	-82.8	-171.8	171.7	-166.1	-0.8	115	R161 M162 S167	R161-R165 PolarHBondContact O-N 3.25Å; M162-R165 PolarHBondContact O-N 2.97Å; R165-S167 PolarHBondContact O-N 3.12Å
166	V	40.9	Very low	42.1	Very low	131 Å²	131	138.8 Å²	138.8	79%	0.794	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-20.2	176.2	-176.4	0	0	0	0	111.8	R168	V166-R168 PolarHBondContact O-N 3.4Å
167	S	38	Very low	40.6	Very low	111 Å²	111	134.3 Å²	134.3	78%	0.776	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	37.4	-177.6	-155.8	0	0	0	0	114.4	R165	R165-S167 PolarHBondContact O-N 3.12Å
168	R	29.8	Very low	38.9	Very low	213 Å²	213	141 Å²	141	80%	0.804	72%	0.723	S	S	*	*			trans	-154.1	84.7	169.7	-167.3	178.4	-63.5	-155	-0.1	112.6	V166	V166-R168 PolarHBondContact O-N 3.4Å
169	F	27.8	Very low	36.9	Very low	193 Å²	193	148.4 Å²	148.4	85%	0.846	75%	0.748	S	S	*	*			trans	-102.2	108.9	160.6	-163.5	-94.9	0	0	0	109
170	E	26.6	Very low	35	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-98.8	128.6	171.4	-171.1	169.7	-164.2	0	0	107.7
171	P	30.5	Very low	33.5	Very low	106 Å²	106	144.5 Å²	144.5	69%	0.688	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-79.5	142.3	-165.6	30.8	-35.4	0	0	0	112.9
172	L	24.1	Very low	31.9	Very low	165 Å²	165	145.4 Å²	145.4	86%	0.864	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-103.2	143.8	168.5	-75.3	174.5	0	0	0	111.3
173	P	27.9	Very low	30.9	Very low	124 Å²	124	142.2 Å²	142.2	81%	0.805	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.6	148.6	-170.5	33.5	-36.3	0	0	0	113.4
174	G	31.1	Very low	29.7	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	78%	0.779	S	S	*	*			trans	-90.6	-177.2	173.3	0	0	0	0	0	114.3
175	S	26.7	Very low	29	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	78%	0.779	S	S	*	*			trans	-154.6	87.3	173.6	65.8	0	0	0	0	114.1
176	E	29	Very low	28.4	Very low	201 Å²	201	140.8 Å²	140.8	94%	0.939	78%	0.779	S	S	*	*				-78.6	141.2	126.5	-91.2	-64	146.9	0	0	106.6
177	G	28	Very low	27.8	Very low	56 Å²	56	144.3 Å²	144.3	58%	0.577	78%	0.778	S	S	*	*			trans	-165	99.3	-162.1	0	0	0	0	0	121
178	R	26.7	Very low	27.4	Very low	230 Å²	230	146.3 Å²	146.3	87%	0.868	78%	0.78	S	S	*	*			trans	-165.4	124.5	131.7	-95.6	141.5	-163.9	-92.6	2.7	107.8
179	R	26.5	Very low	27.4	Very low	224 Å²	224	145.2 Å²	145.2	85%	0.845	78%	0.776	S	S	*	*				61.1	138.9	79.9	-66.8	-173.1	-173.3	-148.3	3	113.9
180	S	25.8	Very low	27.8	Very low	113 Å²	113	141.9 Å²	141.9	79%	0.79	77%	0.774	S	S	*	*			cis	176.8	140.6	-15.3	-91	0	0	0	0	107.8
181	S	24.6	Very low	27.9	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	76%	0.759	S	S	*	*			trans	172	153.1	140.2	-162	0	0	0	0	112
182	D	24.9	Very low	27.8	Very low	165 Å²	165	137.6 Å²	137.6	88%	0.882	76%	0.764	S	S	*	*			trans	56.8	157.4	169.3	-98.5	-22.7	0	0	0	119.5
183	G	25	Very low	28.3	Very low	55 Å²	55	135.2 Å²	135.2	57%	0.567	76%	0.756	S	S	*	*			cis	176.8	116.6	-7.5	0	0	0	0	0	115.6
184	S	27.3	Very low	28.5	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	76%	0.759	S	S	*	*			trans	72	134	157.3	-156.2	0	0	0	0	122.5
185	S	28.7	Very low	28.4	Very low	84 Å²	84	140.5 Å²	140.5	59%	0.587	76%	0.758	S	S	*	*			trans	72.4	116.2	143.8	-68	0	0	0	0	121
186	R	27	Very low	29	Very low	206 Å²	206	142.9 Å²	142.9	78%	0.777	76%	0.762	S	S	*	*				71.1	134.4	86.3	-70.7	167.8	-179.7	-175	1.6	112.9
187	R	27.3	Very low	29.4	Very low	204 Å²	204	138.3 Å²	138.3	77%	0.77	75%	0.751	S	S	*	*			cis	-155.8	157.8	4.1	-93.5	154.2	-178.5	172.2	-3	105.7
188	N	30.1	Very low	29.6	Very low	154 Å²	154	140 Å²	140	82%	0.824	76%	0.759	S	S	*	*				-167.3	163.7	52.7	-124.2	2.9	0	0	0	111.8
189	R	28.9	Very low	30.5	Very low	189 Å²	189	135.1 Å²	135.1	71%	0.713	76%	0.757	S	S	*	*			trans	-128.2	166.5	163.8	-134	-164.9	175.5	-164.7	0.3	106.7	S191	R189-S191 PolarHBondContact NH1-OG 3.03Å
190	P	37.8	Very low	31.1	Very low	124 Å²	124	127.8 Å²	127.8	81%	0.805	75%	0.751	S	S	*	*				-134.3	-165.3	51.6	20.4	5.6	0	0	0	113.3
191	S	28.3	Very low	32	Very low	62 Å²	62	125.3 Å²	125.3	43%	0.434	73%	0.734	S	S	.	*			cis	163.8	94.4	-46.7	-179.6	0	0	0	0	111.8	R189	R189-S191 PolarHBondContact NH1-OG 3.03Å
192	S	28.3	Very low	32.9	Very low	113 Å²	113	128.3 Å²	128.3	79%	0.79	74%	0.735	S	S	*	*			trans	-168.3	94.9	164.4	52	0	0	0	0	108
193	V	35.1	Very low	34	Very low	114 Å²	114	124.9 Å²	124.9	69%	0.691	72%	0.717	S	S	*	*				39	96.5	54.3	-67.1	0	0	0	0	115.2
194	L	32	Very low	35.3	Very low	167 Å²	167	126.6 Å²	126.6	87%	0.874	72%	0.716	S	S	*	*				-163.1	156.9	127.8	-101.9	168.7	0	0	0	110.1
195	D	29.1	Very low	36.5	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	71%	0.709	S	S	*	*			trans	43	97.9	176.7	-79.3	-68.2	0	0	0	120.6
196	D	38.7	Very low	38.1	Very low	164 Å²	164	123.1 Å²	123.1	88%	0.877	70%	0.697	S	S	*	*			trans	-134.7	100.1	147.7	-165.3	-30.6	0	0	0	108.4
197	C	36.5	Very low	40	Very low	106 Å²	106	118.2 Å²	118.2	72%	0.716	69%	0.692	S	S	*	*			trans	-159.8	91.3	176.8	-165.2	0	0	0	0	112.9
198	A	32.3	Very low	42.1	Very low	91 Å²	91	112.3 Å²	112.3	75%	0.752	68%	0.682	S	S	*	*			trans	-134.9	80.8	164.2	0	0	0	0	0	110	G200	A198-G200 VanDerWaalsContact C-N 3.34Å; A198-G200 PolarHBondContact O-N 3.19Å
199	P	45.4	Very low	44.6	Very low	127 Å²	127	105.2 Å²	105.2	83%	0.825	64%	0.644	S	S	*	*			trans	-76	81.1	-173.9	31.2	-35.3	0	0	0	111
200	G	40.8	Very low	47.4	Very low	70 Å²	70	96.8 Å²	96.8	72%	0.722	61%	0.614	S	S	*	*			trans	-151.3	10.1	-158.9	0	0	0	0	0	119.9	A198	A198-G200 VanDerWaalsContact C-N 3.34Å; A198-G200 PolarHBondContact O-N 3.19Å
201	S	43.4	Very low	50	Low	62 Å²	62	91.3 Å²	91.3	43%	0.434	58%	0.578	S	S	.	*			trans	-156.3	80.2	162.9	-154.1	0	0	0	0	112	W288	S201-W288 PolarHBondContact OG-O 3.25Å
202	H	43.4	Very low	53	Low	177 Å²	177	88.3 Å²	88.3	82%	0.819	56%	0.557	S	S	*	*			trans	-70.8	141.2	161.9	-92.8	-100.4	0	0	0	109.5	V204	H202-V204 PolarHBondContact O-N 3.22Å
203	D	48	Very low	56.1	Low	94 Å²	94	86.4 Å²	86.4	50%	0.503	53%	0.533	S	S	.	.			trans	-46.9	132.2	161	-173.6	-15	0	0	0	109.3	G205	D203-G205 PolarHBondContact O-N 2.93Å; D203-G205 PolarHBondContact OD1-N 3.49Å
204	V	53.3	Low	58.8	Low	90 Å²	90	81 Å²	81	55%	0.545	50%	0.5	S	S	.	.			trans	-73.5	-11.3	-178.3	-174.6	0	0	0	0	111	H202 D206	H202-V204 PolarHBondContact O-N 3.22Å; V204-D206 HydrophobicContact CB-CB 4.46Å; V204-D206 HydrophobicContact CG1-CB 4.38Å
205	G	51.4	Low	61.6	Low	64 Å²	64	73.3 Å²	73.3	66%	0.66	46%	0.461	S	S	*	.	S	Bend	trans	75.4	15.5	-173.8	0	0	0	0	0	112.5	D203 P207	D203-G205 PolarHBondContact O-N 2.93Å; D203-G205 PolarHBondContact OD1-N 3.49Å; G205-P207 WeakPolarHBondContact O-CD 3.32Å
206	D	63.6	Low	64.5	Low	62 Å²	62	67.7 Å²	67.7	33%	0.332	43%	0.431	S	S	.	.			trans	-107.1	99.9	-179.4	177.1	0.5	0	0	0	109.2	V204 S208 T209	V204-D206 HydrophobicContact CB-CB 4.46Å; V204-D206 HydrophobicContact CG1-CB 4.38Å; D206-S208 PolarHBondContact O-N 3.42Å; D206-S208 VanDerWaalsContact O-N 3.12Å; D206-S208 WeakPolarHBondContact OD1-CB 3.24Å; D206-S208 PolarHBondContact OD1-N 2.93Å; D206-S208 PolarHBondContact OD1-OG 3.44Å; D206-S208 PolarHBondContact OD2-OG 2.96Å; D206-T209 HydrophobicContact CB-CG2 3.89Å; D206-T209 PolarHBondContact O-N 3.34Å; D206-T209 PolarHBondContact O-OG1 3.35Å
207	P	65.4	Low	66.9	Low	102 Å²	102	60 Å²	60	66%	0.662	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.7	-178	29.4	-35.7	0	0	0	113.5	G205 R264	G205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-R264 WeakPolarHBondContact O-CD 3.38Å; P207-R264 VanDerWaalsContact O-CZ 3.31Å; P207-R264 PolarHBondContact O-NE 3.02Å
208	S	72.7	Confident	69.3	Low	81 Å²	81	55.9 Å²	55.9	57%	0.566	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.8	176.1	76.8	0	0	0	0	113.9	D206 T210	D206-S208 PolarHBondContact O-N 3.42Å; D206-S208 VanDerWaalsContact O-N 3.12Å; D206-S208 WeakPolarHBondContact OD1-CB 3.24Å; D206-S208 PolarHBondContact OD1-N 2.93Å; D206-S208 PolarHBondContact OD1-OG 3.44Å; D206-S208 PolarHBondContact OD2-OG 2.96Å; S208-T210 PolarHBondContact O-N 2.94Å
209	T	83.1	Confident	71.8	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.025	34%	0.34	C	S	.	.			trans	-64.3	115.5	-173.2	45.5	0	0	0	0	113.3	D206 R264 W288	D206-T209 HydrophobicContact CB-CG2 3.89Å; D206-T209 PolarHBondContact O-N 3.34Å; D206-T209 PolarHBondContact O-OG1 3.35Å; T209-R264 WeakPolarHBondContact O-CD 3.42Å; T209-R264 PolarHBondContact O-NH1 2.98Å; T209-R264 PolarHBondContact OG1-NH1 3.26Å; T209-W288 WeakPolarHBondContact O-CZ3 3.2Å
210	T	86.8	Confident	73.6	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.08	33%	0.333	C	S	.	.			trans	-90.2	4.6	176.8	71.9	0	0	0	0	114.3	S208 A260 F261 R264 I294	S208-T210 PolarHBondContact O-N 2.94Å; T210-A260 WeakPolarHBondContact O-CA 3.38Å; T210-F261 VanDerWaalsContact CB-O 3.25Å; T210-F261 WeakPolarHBondContact CB-O 3.48Å; T210-F261 PolarHBondContact O-N 2.74Å; T210-F261 PolarHBondContact OG1-O 2.79Å; T210-R264 HydrophobicContact CG2-CB 4.2Å; T210-I294 HydrophobicContact CG2-CD1 3.84Å
211	N	92.2	Very high	75.8	Confident	8 Å²	8	51.5 Å²	51.5	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.1	-174	-172.3	29.6	0	0	0	112.2	V259 A260 G289 K290	N211-V259 PolarHBondContact OD1-O 3.24Å; N211-A260 HydrophobicContact CB-CB 4.22Å; N211-G289 WeakPolarHBondContact O-CA 3.38Å; N211-G289 PolarHBondContact O-N 3.03Å; N211-K290 PolarHBondContact ND2-O 2.67Å
212	L	92.6	Very high	78	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	135.2	174	-59.3	-179.2	0	0	0	110.6	L214 F230 F258 V259 F261 A267 A270 L271 G287 W288	L212-L214 HydrophobicContact CB-CD2 4.36Å; L212-F230 HydrophobicContact CD1-CD1 4.43Å; L212-F230 HydrophobicContact CD1-CE1 4.07Å; L212-F258 VanDerWaalsContact O-CA 3.27Å; L212-F258 WeakPolarHBondContact O-CA 3.47Å; L212-V259 PolarHBondContact N-O 3.28Å; L212-V259 PolarHBondContact O-N 3.15Å; L212-F261 HydrophobicContact CD1-CE2 3.96Å; L212-A267 HydrophobicContact CD2-CB 4.38Å; L212-A267 HydrophobicContact CG-CB 4.34Å; L212-A270 HydrophobicContact CD1-CB 4.05Å; L212-L271 HydrophobicContact CD1-CB 4.46Å; L212-L271 HydrophobicContact CD2-CB 4.04Å; L212-L271 HydrophobicContact CD2-CD1 4.44Å; L212-L271 HydrophobicContact CD2-CD2 4.41Å; L212-G287 WeakPolarHBondContact CA-O 3.26Å; L212-W288 HydrophobicContact CD2-CD2 4.4Å; L212-W288 HydrophobicContact CD2-CE3 3.64Å; L212-W288 HydrophobicContact CD2-CH2 3.9Å; L212-W288 HydrophobicContact CD2-CZ3 3.36Å; L212-W288 HydrophobicContact CG-CZ3 4.49Å
213	Y	92.6	Very high	80.2	Confident	72 Å²	72	48 Å²	48	28%	0.282	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.5	160.5	173.1	-111.4	0	0	0	109.8	C256 G257 F258 L286 G287	Y213-C256 HydrophobicContact CE2-CB 3.85Å; Y213-C256 WeakPolarHBondContact OH-CB 3.43Å; Y213-G257 WeakPolarHBondContact CD2-O 3.34Å; Y213-F258 HydrophobicContact CD2-CD1 4.25Å; Y213-F258 AromaticContact CD2-CE1 3.67Å; Y213-F258 HydrophobicContact CD2-CE1 3.67Å; Y213-F258 HydrophobicContact CD2-CE2 4.27Å; Y213-F258 AromaticContact CD2-CZ 3.68Å; Y213-F258 HydrophobicContact CD2-CZ 3.68Å; Y213-F258 HydrophobicContact CE2-CZ 4.34Å; Y213-F258 HydrophobicContact CG-CE1 4.26Å; Y213-L286 WeakPolarHBondContact O-CA 3.36Å; Y213-G287 PolarHBondContact N-O 2.88Å; Y213-G287 PolarHBondContact O-N 3.23Å
214	L	92.6	Very high	82.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.2	174.7	-51	-162.9	0	0	0	109.7	L212 I217 L226 F230 C256 G257 V259 L286	L212-L214 HydrophobicContact CB-CD2 4.36Å; L214-I217 HydrophobicContact CB-CD1 3.65Å; L214-I217 HydrophobicContact CB-CG1 4Å; L214-I217 HydrophobicContact CD1-CD1 3.91Å; L214-I217 HydrophobicContact CG-CD1 4.45Å; L214-L226 HydrophobicContact CD1-CD1 3.93Å; L214-L226 HydrophobicContact CD1-CD2 3.62Å; L214-L226 HydrophobicContact CD1-CG 4.39Å; L214-F230 HydrophobicContact CD1-CE2 3.92Å; L214-F230 HydrophobicContact CD1-CZ 4.04Å; L214-F230 HydrophobicContact CD2-CE1 3.75Å; L214-F230 HydrophobicContact CD2-CE2 4.1Å; L214-F230 HydrophobicContact CD2-CZ 3.36Å; L214-F230 HydrophobicContact CG-CZ 4.36Å; L214-C256 CarbonylContact O-C 3.53Å; L214-C256 WeakPolarHBondContact O-CA 3.47Å; L214-C256 VanDerWaalsContact O-CB 3.24Å; L214-C256 WeakPolarHBondContact O-CB 3.49Å; L214-G257 PolarHBondContact N-O 3.1Å; L214-G257 PolarHBondContact O-N 2.84Å; L214-V259 HydrophobicContact CD1-CG2 3.68Å; L214-V259 HydrophobicContact CD2-CB 4.36Å; L214-V259 HydrophobicContact CD2-CG2 4.16Å; L214-V259 HydrophobicContact CG-CG2 4.11Å; L214-L286 HydrophobicContact CB-CD2 4.44Å; L214-L286 HydrophobicContact CD2-CD2 3.44Å; L214-L286 VanDerWaalsContact CD2-CD2 3.44Å; L214-L286 HydrophobicContact CG-CD2 4.5Å
215	G	89.6	Confident	83.8	Confident	6 Å²	6	49.1 Å²	49.1	6%	0.062	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	155.6	172.7	0	0	0	0	0	112.6	I217 K285	G215-I217 PolarHBondContact O-N 3.4Å; G215-K285 WeakPolarHBondContact CA-O 3.29Å; G215-K285 PolarHBondContact N-O 3.28Å; G215-K285 PolarHBondContact O-N 3.27Å
216	N	89.3	Confident	85.6	Confident	29 Å²	29	46.1 Å²	46.1	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.1	40.1	176.7	-162.9	46.8	0	0	0	113.7	R254 N255 F282 E283	N216-R254 WeakPolarHBondContact OD1-CD 3.49Å; N216-R254 VanDerWaalsContact OD1-CG 3.26Å; N216-R254 WeakPolarHBondContact OD1-CG 3.49Å; N216-R254 PolarHBondContact OD1-NH1 2.86Å; N216-N255 PolarHBondContact N-O 3.47Å; N216-F282 WeakPolarHBondContact O-CB 3.49Å; N216-E283 WeakPolarHBondContact CB-O 3.28Å; N216-E283 PolarHBondContact ND2-O 3.45Å
217	I	89.8	Confident	86.9	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	141.4	175.1	-42.2	174.5	0	0	0	109.2	L214 G215 M221 L226 N255	L214-I217 HydrophobicContact CB-CD1 3.65Å; L214-I217 HydrophobicContact CB-CG1 4Å; L214-I217 HydrophobicContact CD1-CD1 3.91Å; L214-I217 HydrophobicContact CG-CD1 4.45Å; G215-I217 PolarHBondContact O-N 3.4Å; I217-M221 HydrophobicContact CG2-CB 3.71Å; I217-M221 HydrophobicContact CG2-CG 4.19Å; I217-M221 HydrophobicContact CG2-SD 3.66Å; I217-L226 HydrophobicContact CD1-CD1 4.46Å; I217-N255 HydrophobicContact CB-CB 4.08Å; I217-N255 PolarHBondContact N-O 3.35Å; I217-N255 PolarHBondContact O-N 3.5Å
218	N	86.1	Confident	88	Confident	18 Å²	18	44 Å²	44	10%	0.096	23%	0.226	C	C	.	.			trans	-58	131.9	170.5	-176.5	-44.1	0	0	0	110.6	Q220 M221 M280 F282	N218-Q220 PolarHBondContact O-N 2.91Å; N218-Q220 VanDerWaalsContact O-N 3.12Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 3.24Å; N218-M221 VanDerWaalsContact O-CB 3.31Å; N218-M221 WeakPolarHBondContact O-CB 3.21Å; N218-M221 PolarHBondContact O-N 2.78Å; N218-M280 HydrophobicContact CB-CB 4.11Å; N218-M280 WeakPolarHBondContact ND2-CB 3.3Å; N218-M280 PolarHBondContact ND2-O 2.93Å; N218-F282 HydrophobicContact CB-CB 4.45Å; N218-F282 HydrophobicContact CB-CD2 3.54Å; N218-F282 HydrophobicContact CB-CE2 3.94Å; N218-F282 HydrophobicContact CB-CG 4.07Å; N218-F282 WeakPolarHBondContact ND2-CD2 3.49Å; N218-F282 WeakPolarHBondContact ND2-CE2 3Å
219	P	84.8	Confident	88.7	Confident	48 Å²	48	41.7 Å²	41.7	31%	0.312	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.3	178.7	-28	36.3	0	0	0	116.5	M221 E253	P219-M221 VanDerWaalsContact C-N 3.34Å; P219-E253 WeakPolarHBondContact CD-O 3.28Å; P219-E253 WeakPolarHBondContact CG-O 3.32Å
220	Q	84.7	Confident	89.1	Confident	144 Å²	144	41.5 Å²	41.5	67%	0.673	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.7	176.2	-61.2	-176.1	-22.8	0	0	113.3	N218 M225 M280	N218-Q220 PolarHBondContact O-N 2.91Å; N218-Q220 VanDerWaalsContact O-N 3.12Å; N218-Q220 WeakPolarHBondContact OD1-CB 3.42Å; N218-Q220 PolarHBondContact OD1-N 3.24Å; Q220-M225 WeakPolarHBondContact O-CE 3.29Å; Q220-M280 HydrophobicContact CB-CE 4.16Å
221	M	86.6	Confident	89	Confident	5 Å²	5	41 Å²	41	3%	0.025	20%	0.202	C	C	.	.			trans	-78.2	128	-179.7	-156	169.6	-168.9	0	0	110.9	I217 N218 P219 M225 L226 E229 I241 I279 M280	I217-M221 HydrophobicContact CG2-CB 3.71Å; I217-M221 HydrophobicContact CG2-CG 4.19Å; I217-M221 HydrophobicContact CG2-SD 3.66Å; N218-M221 VanDerWaalsContact O-CB 3.31Å; N218-M221 WeakPolarHBondContact O-CB 3.21Å; N218-M221 PolarHBondContact O-N 2.78Å; P219-M221 VanDerWaalsContact C-N 3.34Å; M221-M225 HydrophobicContact CE-CB 4.13Å; M221-M225 HydrophobicContact CG-CB 4.12Å; M221-L226 HydrophobicContact CE-CD2 3.73Å; M221-L226 HydrophobicContact CE-CG 4.22Å; M221-L226 HydrophobicContact CG-CD2 4.41Å; M221-L226 HydrophobicContact CG-CG 4.31Å; M221-L226 HydrophobicContact SD-CD2 3.61Å; M221-L226 HydrophobicContact SD-CG 4.15Å; M221-E229 HydrophobicContact CE-CG 4.32Å; M221-I241 WeakPolarHBondContact O-CD1 3.33Å; M221-I279 HydrophobicContact CE-CG2 4.03Å; M221-I279 HydrophobicContact SD-CG2 4.36Å; M221-M280 HydrophobicContact CG-SD 4.49Å
222	N	90	Very high	88.7	Confident	81 Å²	81	48 Å²	48	43%	0.433	23%	0.228	S	C	.	.			trans	-97.8	160.9	177.1	-68.8	-18	0	0	0	111.2	E224 M225 L226	N222-E224 PolarHBondContact O-N 3.21Å; N222-M225 HydrophobicContact CB-CE 4.21Å; N222-M225 PolarHBondContact O-N 2.94Å; N222-L226 PolarHBondContact O-N 3.27Å; N222-L226 VanDerWaalsContact O-N 3.09Å
223	E	89.4	Confident	88.4	Confident	83 Å²	83	50 Å²	50	39%	0.388	24%	0.235	S	C	.	.	H	α-helix	trans	-58.9	-34.5	178	-68.7	177.2	168	0	0	112.2	M225 L226 C227 V239 K240 I241	E223-M225 PolarHBondContact O-N 3.04Å; E223-L226 WeakPolarHBondContact O-CB 3.32Å; E223-L226 PolarHBondContact O-N 2.82Å; E223-C227 PolarHBondContact O-N 3.22Å; E223-C227 PolarHBondContact O-SG 3.01Å; E223-V239 HydrophobicContact CB-CG1 4.12Å; E223-V239 HydrophobicContact CG-CG1 4.29Å; E223-K240 WeakPolarHBondContact OE1-CA 3.16Å; E223-I241 HydrophobicContact CG-CB 4.31Å; E223-I241 HydrophobicContact CG-CD1 3.89Å; E223-I241 HydrophobicContact CG-CG1 3.79Å; E223-I241 PolarHBondContact OE1-N 3.21Å
224	E	88	Confident	88	Confident	143 Å²	143	46.5 Å²	46.5	67%	0.668	22%	0.222	S	C	*	.	H	α-helix	trans	-62	-38.4	172.7	-64.1	177.5	170.9	0	0	113.5	N222 C227 Q228	N222-E224 PolarHBondContact O-N 3.21Å; E224-C227 WeakPolarHBondContact O-CB 3.42Å; E224-C227 PolarHBondContact O-N 3.21Å; E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 3.39Å
225	M	88.9	Confident	87.8	Confident	66 Å²	66	46.5 Å²	46.5	33%	0.325	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-31.3	178.2	-67.9	-168.3	-73.3	0	0	111.4	Q220 M221 N222 E223 Q228 E229	Q220-M225 WeakPolarHBondContact O-CE 3.29Å; M221-M225 HydrophobicContact CE-CB 4.13Å; M221-M225 HydrophobicContact CG-CB 4.12Å; N222-M225 HydrophobicContact CB-CE 4.21Å; N222-M225 PolarHBondContact O-N 2.94Å; E223-M225 PolarHBondContact O-N 3.04Å; M225-Q228 PolarHBondContact O-N 3.36Å; M225-E229 PolarHBondContact O-N 3.08Å; M225-E229 VanDerWaalsContact O-N 3.12Å
226	L	89.8	Confident	87.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-43	166.9	-70.5	173.7	0	0	0	110.9	L214 I217 M221 N222 E223 Q228 E229 F230 V239 I241	L214-L226 HydrophobicContact CD1-CD1 3.93Å; L214-L226 HydrophobicContact CD1-CD2 3.62Å; L214-L226 HydrophobicContact CD1-CG 4.39Å; I217-L226 HydrophobicContact CD1-CD1 4.46Å; M221-L226 HydrophobicContact CE-CD2 3.73Å; M221-L226 HydrophobicContact CE-CG 4.22Å; M221-L226 HydrophobicContact CG-CD2 4.41Å; M221-L226 HydrophobicContact CG-CG 4.31Å; M221-L226 HydrophobicContact SD-CD2 3.61Å; M221-L226 HydrophobicContact SD-CG 4.15Å; N222-L226 PolarHBondContact O-N 3.27Å; N222-L226 VanDerWaalsContact O-N 3.09Å; E223-L226 WeakPolarHBondContact O-CB 3.32Å; E223-L226 PolarHBondContact O-N 2.82Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; L226-Q228 PolarHBondContact O-N 2.92Å; L226-E229 PolarHBondContact O-N 2.98Å; L226-F230 HydrophobicContact CB-CD2 4.49Å; L226-F230 HydrophobicContact CD2-CD2 4.16Å; L226-F230 HydrophobicContact CD2-CE2 3.83Å; L226-F230 WeakPolarHBondContact O-CB 3.46Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L226-F230 PolarHBondContact O-N 3.26Å; L226-V239 HydrophobicContact CB-CG1 3.79Å; L226-V239 HydrophobicContact CD1-CG1 4.08Å; L226-I241 HydrophobicContact CD1-CD1 3.78Å; L226-I241 HydrophobicContact CD1-CG1 3.57Å
227	C	89.6	Confident	87.8	Confident	14 Å²	14	45 Å²	45	10%	0.095	21%	0.212	C	C	.	.	H	α-helix	trans	-57.4	-40.3	173.4	-70.4	0	0	0	0	112.4	E223 E224 G231 L236 Y300	E223-C227 PolarHBondContact O-N 3.22Å; E223-C227 PolarHBondContact O-SG 3.01Å; E224-C227 WeakPolarHBondContact O-CB 3.42Å; E224-C227 PolarHBondContact O-N 3.21Å; C227-G231 WeakPolarHBondContact O-CA 3.23Å; C227-G231 PolarHBondContact O-N 3.33Å; C227-L236 HydrophobicContact CB-CD1 4.26Å; C227-Y300 HydrophobicContact CB-CD1 4.48Å; C227-Y300 HydrophobicContact CB-CD2 3.67Å; C227-Y300 HydrophobicContact CB-CE2 4.14Å; C227-Y300 HydrophobicContact CB-CG 3.85Å; C227-Y300 WeakPolarHBondContact O-CE1 3.27Å
228	Q	87.9	Confident	87.8	Confident	106 Å²	106	46.9 Å²	46.9	50%	0.495	23%	0.226	S	C	.	.	H	α-helix	trans	-74.3	-28	-179.9	-70.4	174.5	22.4	0	0	115.2	E224 M225 L226 R232	E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 3.39Å; M225-Q228 PolarHBondContact O-N 3.36Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; L226-Q228 PolarHBondContact O-N 2.92Å; Q228-R232 WeakPolarHBondContact O-CG 3.47Å; Q228-R232 PolarHBondContact O-NE 3.25Å; Q228-R232 VanDerWaalsContact O-NE 3.11Å
229	E	89.2	Confident	88.1	Confident	33 Å²	33	46.9 Å²	46.9	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-85.6	-48	173.8	-77.8	-71.9	131.5	0	0	111.5	M221 M225 L226 R232 Y233 K277 I279	M221-E229 HydrophobicContact CE-CG 4.32Å; M225-E229 PolarHBondContact O-N 3.08Å; M225-E229 VanDerWaalsContact O-N 3.12Å; L226-E229 PolarHBondContact O-N 2.98Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 IonicContact OE1-NH1 3.31Å; E229-R232 PolarHBondContact OE1-NH1 3.49Å; E229-R232 IonicContact OE1-NH2 2.76Å; E229-R232 PolarHBondContact OE1-NH2 2.95Å; E229-Y233 WeakPolarHBondContact O-CE2 3.41Å; E229-K277 IonicContact OE2-NZ 3.5Å; E229-K277 PolarHBondContact OE2-NZ 2.77Å; E229-I279 HydrophobicContact CG-CD1 4.34Å
230	F	89.9	Confident	88.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-73.7	-31.8	-179.4	-76.6	-94.6	0	0	0	112.8	L212 L214 L226 R232 Y233 L236 V259 F261 A270 L274 M284 L286	L212-F230 HydrophobicContact CD1-CD1 4.43Å; L212-F230 HydrophobicContact CD1-CE1 4.07Å; L214-F230 HydrophobicContact CD1-CE2 3.92Å; L214-F230 HydrophobicContact CD1-CZ 4.04Å; L214-F230 HydrophobicContact CD2-CE1 3.75Å; L214-F230 HydrophobicContact CD2-CE2 4.1Å; L214-F230 HydrophobicContact CD2-CZ 3.36Å; L214-F230 HydrophobicContact CG-CZ 4.36Å; L226-F230 HydrophobicContact CB-CD2 4.49Å; L226-F230 HydrophobicContact CD2-CD2 4.16Å; L226-F230 HydrophobicContact CD2-CE2 3.83Å; L226-F230 WeakPolarHBondContact O-CB 3.46Å; L226-F230 WeakPolarHBondContact O-CD2 3.27Å; L226-F230 PolarHBondContact O-N 3.26Å; F230-R232 PolarHBondContact O-N 2.91Å; F230-R232 VanDerWaalsContact O-N 3.14Å; F230-Y233 PolarHBondContact O-N 2.93Å; F230-Y233 VanDerWaalsContact O-N 3.11Å; F230-L236 HydrophobicContact CB-CD1 4.12Å; F230-L236 HydrophobicContact CB-CD2 4.18Å; F230-V259 HydrophobicContact CB-CG1 4.08Å; F230-V259 HydrophobicContact CD1-CB 4.29Å; F230-V259 HydrophobicContact CD1-CG1 3.99Å; F230-V259 HydrophobicContact CD1-CG2 4.41Å; F230-V259 HydrophobicContact CD2-CG2 4.27Å; F230-V259 HydrophobicContact CG-CB 4.49Å; F230-V259 HydrophobicContact CG-CG1 4.07Å; F230-V259 HydrophobicContact CG-CG2 4.21Å; F230-F261 HydrophobicContact CB-CZ 4.05Å; F230-F261 HydrophobicContact CD1-CE2 4.03Å; F230-F261 HydrophobicContact CD1-CZ 4.03Å; F230-A270 HydrophobicContact CD1-CB 4.16Å; F230-L274 HydrophobicContact CD1-CD1 3.66Å; F230-L274 HydrophobicContact CD2-CD1 4.09Å; F230-L274 HydrophobicContact CE1-CD1 3.53Å; F230-L274 HydrophobicContact CE2-CD1 3.97Å; F230-L274 HydrophobicContact CG-CD1 3.93Å; F230-L274 HydrophobicContact CZ-CD1 3.68Å; F230-M284 HydrophobicContact CE2-CE 3.61Å; F230-M284 HydrophobicContact CE2-SD 3.89Å; F230-M284 HydrophobicContact CZ-CE 3.43Å; F230-M284 VanDerWaalsContact CZ-CE 3.43Å; F230-M284 HydrophobicContact CZ-SD 3.91Å; F230-L286 HydrophobicContact CE1-CD1 4.07Å; F230-L286 HydrophobicContact CZ-CD1 4.17Å; F230-L286 HydrophobicContact CZ-CD2 4.11Å
231	G	86.1	Confident	88.7	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.1	177.6	0	0	0	0	0	114.5	C227 Y233 G234 P302	C227-G231 WeakPolarHBondContact O-CA 3.23Å; C227-G231 PolarHBondContact O-N 3.33Å; G231-Y233 PolarHBondContact O-N 3.38Å; G231-G234 WeakPolarHBondContact CA-O 3.39Å; G231-G234 PolarHBondContact O-N 3.33Å; G231-P302 WeakPolarHBondContact O-CB 3.2Å; G231-P302 WeakPolarHBondContact O-CG 3.42Å
232	R	84.3	Confident	88.8	Confident	154 Å²	154	46.5 Å²	46.5	58%	0.581	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-18.8	173.5	-58.5	-175.2	-163.7	160.9	13.9	113.1	Q228 E229 F230	Q228-R232 WeakPolarHBondContact O-CG 3.47Å; Q228-R232 PolarHBondContact O-NE 3.25Å; Q228-R232 VanDerWaalsContact O-NE 3.11Å; E229-R232 IonicContact OE1-CZ 3.91Å; E229-R232 IonicContact OE1-NH1 3.31Å; E229-R232 PolarHBondContact OE1-NH1 3.49Å; E229-R232 IonicContact OE1-NH2 2.76Å; E229-R232 PolarHBondContact OE1-NH2 2.95Å; F230-R232 PolarHBondContact O-N 2.91Å; F230-R232 VanDerWaalsContact O-N 3.14Å
233	Y	86.6	Confident	88.5	Confident	42 Å²	42	48.9 Å²	48.9	17%	0.165	22%	0.223	C	C	.	.	S	Bend	trans	-101.6	-13.2	-176.7	-56.8	-80.5	0	0	0	113.4	E229 F230 G231 D266 R269 A270 N273 L274	E229-Y233 WeakPolarHBondContact O-CE2 3.41Å; F230-Y233 PolarHBondContact O-N 2.93Å; F230-Y233 VanDerWaalsContact O-N 3.11Å; G231-Y233 PolarHBondContact O-N 3.38Å; Y233-D266 VanDerWaalsContact O-CB 3.27Å; Y233-D266 WeakPolarHBondContact O-CB 2.85Å; Y233-D266 VanDerWaalsContact O-CG 3.28Å; Y233-R269 HydrophobicContact CD1-CB 4.22Å; Y233-A270 HydrophobicContact CD2-CB 3.99Å; Y233-A270 HydrophobicContact CG-CB 3.91Å; Y233-N273 HydrophobicContact CD1-CB 4.49Å; Y233-N273 HydrophobicContact CE1-CB 3.51Å; Y233-L274 HydrophobicContact CD2-CD1 4.01Å; Y233-L274 HydrophobicContact CD2-CG 4.37Å; Y233-L274 HydrophobicContact CE2-CD1 3.61Å; Y233-L274 HydrophobicContact CE2-CD2 3.78Å; Y233-L274 HydrophobicContact CE2-CG 3.6Å
234	G	85.3	Confident	88.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	157	178.1	178.9	0	0	0	0	0	114.1	G231	G231-G234 WeakPolarHBondContact CA-O 3.39Å; G231-G234 PolarHBondContact O-N 3.33Å
235	P	88.5	Confident	87.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.22	C	C	.	.			trans	-81.3	137.8	-174.7	28.4	-24.6	0	0	0	112.3	M262 P298 Y300 M305 Y447	P235-M262 HydrophobicContact CB-CG 4.31Å; P235-M262 HydrophobicContact CG-CB 4.09Å; P235-M262 HydrophobicContact CG-CG 4.22Å; P235-M262 PolarHBondContact O-N 2.74Å; P235-P298 HydrophobicContact CB-CB 4.17Å; P235-P298 HydrophobicContact CB-CG 4.37Å; P235-Y300 WeakPolarHBondContact CA-O 3.37Å; P235-M305 HydrophobicContact CB-SD 4.26Å; P235-M305 VanDerWaalsContact CD-SD 3.6Å; P235-M305 HydrophobicContact CG-CE 4.03Å; P235-M305 HydrophobicContact CG-SD 3.82Å; P235-Y447 HydrophobicContact CB-CD1 4.18Å; P235-Y447 HydrophobicContact CG-CD1 4.33Å; P235-Y447 HydrophobicContact CG-CG 4.46Å; P235-Y447 WeakPolarHBondContact CG-O 3.33Å
236	L	90.4	Very high	87	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.7	-167.1	-50.6	-177.6	0	0	0	112	C227 F230 V239 V259 F261 P298 I299 Y300	C227-L236 HydrophobicContact CB-CD1 4.26Å; F230-L236 HydrophobicContact CB-CD1 4.12Å; F230-L236 HydrophobicContact CB-CD2 4.18Å; L236-V239 HydrophobicContact CB-CG2 4.28Å; L236-V239 HydrophobicContact CD1-CG2 3.66Å; L236-V259 HydrophobicContact CD2-CG1 3.99Å; L236-F261 HydrophobicContact CD2-CD1 3.6Å; L236-F261 HydrophobicContact CD2-CD2 4.32Å; L236-F261 HydrophobicContact CD2-CE1 3.34Å; L236-F261 HydrophobicContact CD2-CE2 4.1Å; L236-F261 HydrophobicContact CD2-CG 4.08Å; L236-F261 HydrophobicContact CD2-CZ 3.61Å; L236-P298 CarbonylContact O-C 3.58Å; L236-P298 VanDerWaalsContact O-CA 3.32Å; L236-P298 WeakPolarHBondContact O-CA 3.49Å; L236-P298 VanDerWaalsContact O-CB 3.28Å; L236-P298 WeakPolarHBondContact O-CB 3.5Å; L236-I299 PolarHBondContact O-N 3.22Å; L236-Y300 HydrophobicContact CD1-CD1 4.32Å; L236-Y300 HydrophobicContact CG-CD1 4.38Å; L236-Y300 PolarHBondContact N-O 2.84Å
237	A	88.6	Confident	86.1	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-36.8	176.1	0	0	0	0	0	112.7	A260 F261 M262 I294 P295	A237-A260 WeakPolarHBondContact CA-O 3.49Å; A237-A260 HydrophobicContact CB-CB 4.06Å; A237-A260 WeakPolarHBondContact CB-O 3.43Å; A237-A260 PolarHBondContact N-O 3.21Å; A237-F261 WeakPolarHBondContact CB-O 3.42Å; A237-M262 HydrophobicContact CB-CE 3.68Å; A237-I294 HydrophobicContact CB-CG2 4Å; A237-P295 HydrophobicContact CB-CG 4.49Å; A237-P295 WeakPolarHBondContact O-CG 3.45Å
238	S	89.2	Confident	85.2	Confident	44 Å²	44	61.4 Å²	61.4	31%	0.308	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	142.7	175.3	-162.8	0	0	0	0	110.9	V259 A260	S238-V259 CarbonylContact O-C 3.49Å; S238-V259 WeakPolarHBondContact O-CA 3.38Å; S238-A260 PolarHBondContact N-O 3.33Å; S238-A260 VanDerWaalsContact N-O 3.11Å; S238-A260 PolarHBondContact O-N 2.85Å
239	V	92.4	Very high	84.4	Confident	17 Å²	17	59.7 Å²	59.7	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.3	169.1	177.9	0	0	0	0	107	E223 L226 L236 V259	E223-V239 HydrophobicContact CB-CG1 4.12Å; E223-V239 HydrophobicContact CG-CG1 4.29Å; L226-V239 HydrophobicContact CB-CG1 3.79Å; L226-V239 HydrophobicContact CD1-CG1 4.08Å; L236-V239 HydrophobicContact CB-CG2 4.28Å; L236-V239 HydrophobicContact CD1-CG2 3.66Å; V239-V259 HydrophobicContact CG1-CG2 4.19Å; V239-V259 HydrophobicContact CG2-CG1 4.35Å; V239-V259 HydrophobicContact CG2-CG2 4.17Å
240	K	90.8	Very high	83.6	Confident	119 Å²	119	65.1 Å²	65.1	52%	0.517	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	126.3	180	-175.6	170.1	-176.1	168.5	0	112.9	E223 G257 F258	E223-K240 WeakPolarHBondContact OE1-CA 3.16Å; K240-G257 CarbonylContact O-C 3.47Å; K240-G257 WeakPolarHBondContact O-CA 3.15Å; K240-F258 PolarHBondContact N-O 3.1Å; K240-F258 PolarHBondContact O-N 3.46Å
241	I	91.3	Very high	82.7	Confident	6 Å²	6	69 Å²	69	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.1	170.7	-64.2	175.6	0	0	0	110.4	M221 E223 L226 W243 N255	M221-I241 WeakPolarHBondContact O-CD1 3.33Å; E223-I241 HydrophobicContact CG-CB 4.31Å; E223-I241 HydrophobicContact CG-CD1 3.89Å; E223-I241 HydrophobicContact CG-CG1 3.79Å; E223-I241 PolarHBondContact OE1-N 3.21Å; L226-I241 HydrophobicContact CD1-CD1 3.78Å; L226-I241 HydrophobicContact CD1-CG1 3.57Å; I241-W243 HydrophobicContact CB-CZ2 4.19Å; I241-W243 HydrophobicContact CD1-CZ2 4.11Å; I241-W243 HydrophobicContact CG2-CD2 3.81Å; I241-W243 HydrophobicContact CG2-CE3 4.35Å; I241-W243 HydrophobicContact CG2-CG 4.17Å; I241-W243 HydrophobicContact CG2-CH2 4.35Å; I241-W243 HydrophobicContact CG2-CZ2 3.81Å; I241-N255 HydrophobicContact CG2-CB 4.32Å
242	M	88.8	Confident	82.1	Confident	64 Å²	64	75.6 Å²	75.6	32%	0.315	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	87.4	174	-72.2	-66.4	-65.3	0	0	108.9	C256 F258	M242-C256 PolarHBondContact N-O 2.69Å; M242-F258 HydrophobicContact CG-CD2 4.28Å; M242-F258 HydrophobicContact CG-CE2 4.26Å
243	W	84.5	Confident	81.8	Confident	131 Å²	131	75 Å²	75	50%	0.496	35%	0.352	S	S	.	.			trans	-63.5	141.5	178	-58.9	94.7	0	0	0	112	I241 R245 N255	I241-W243 HydrophobicContact CB-CZ2 4.19Å; I241-W243 HydrophobicContact CD1-CZ2 4.11Å; I241-W243 HydrophobicContact CG2-CD2 3.81Å; I241-W243 HydrophobicContact CG2-CE3 4.35Å; I241-W243 HydrophobicContact CG2-CG 4.17Å; I241-W243 HydrophobicContact CG2-CH2 4.35Å; I241-W243 HydrophobicContact CG2-CZ2 3.81Å; W243-R245 PolarHBondContact O-N 2.99Å; W243-N255 WeakPolarHBondContact CZ3-ND2 3.31Å
244	P	79.1	Confident	81.6	Confident	32 Å²	32	79.4 Å²	79.4	21%	0.208	37%	0.369	C	S	.	.			trans	-62.1	131.5	-177	24.9	-35.1	0	0	0	111.5	E249 R250 N255	P244-E249 HydrophobicContact CB-CB 3.49Å; P244-E249 VanDerWaalsContact CB-CB 3.49Å; P244-R250 HydrophobicContact CB-CB 4.47Å; P244-R250 HydrophobicContact CG-CB 4.49Å; P244-N255 WeakPolarHBondContact CD-OD1 3.45Å
245	R	77.1	Confident	81.7	Confident	208 Å²	208	79.8 Å²	79.8	79%	0.785	37%	0.371	S	S	*	.			trans	-100.1	-26.2	-175.5	-64.2	-174.4	176.5	-159.5	-2.8	112.8	W243 E249	W243-R245 PolarHBondContact O-N 2.99Å; R245-E249 PolarHBondContact N-OE2 3.34Å
246	T	77.5	Confident	81.8	Confident	64 Å²	64	81.6 Å²	81.6	39%	0.393	38%	0.383	S	S	.	.	S	Bend	trans	-109.1	156.3	175	68.5	0	0	0	0	111.5	E248 E249 R250	T246-E248 PolarHBondContact O-N 3.32Å; T246-E249 PolarHBondContact N-OE2 3.33Å; T246-E249 PolarHBondContact O-N 3.24Å; T246-E249 VanDerWaalsContact O-N 3.11Å; T246-E249 VanDerWaalsContact OG1-CG 3.29Å; T246-E249 WeakPolarHBondContact OG1-CG 3.22Å; T246-E249 PolarHBondContact OG1-N 3.23Å; T246-E249 PolarHBondContact OG1-OE2 2.97Å; T246-R250 PolarHBondContact O-N 3.45Å
247	D	71.2	Confident	81.8	Confident	112 Å²	112	81.6 Å²	81.6	60%	0.599	38%	0.383	S	S	*	.	H	α-helix	trans	-66.2	-25.2	175.3	-68.1	-60.9	0	0	0	112.4	E249 R250 A251	D247-E249 VanDerWaalsContact C-N 3.33Å; D247-R250 PolarHBondContact O-N 2.83Å; D247-R250 IonicContact OD1-CZ 2.66Å; D247-R250 IonicContact OD1-NH1 3.19Å; D247-R250 PolarHBondContact OD1-NH1 3.31Å; D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.46Å; D247-A251 PolarHBondContact O-N 3.04Å
248	E	71.3	Confident	82.1	Confident	154 Å²	154	84.9 Å²	84.9	72%	0.72	40%	0.397	S	S	*	.	H	α-helix	trans	-69.9	-25.4	171.8	-62.4	176.7	176.9	0	0	113.5	T246 R252	T246-E248 PolarHBondContact O-N 3.32Å; E248-R252 PolarHBondContact O-NE 3.01Å; E248-R252 PolarHBondContact O-NH2 2.95Å; E248-R252 VanDerWaalsContact O-NH2 3.12Å
249	E	70.5	Confident	82.3	Confident	70 Å²	70	82.8 Å²	82.8	33%	0.327	38%	0.382	S	S	.	.	H	α-helix	trans	-82	-40.8	170	-68.2	166.9	151.5	0	0	110.5	P244 R245 T246 D247 A251 R252	P244-E249 HydrophobicContact CB-CB 3.49Å; P244-E249 VanDerWaalsContact CB-CB 3.49Å; R245-E249 PolarHBondContact N-OE2 3.34Å; T246-E249 PolarHBondContact N-OE2 3.33Å; T246-E249 PolarHBondContact O-N 3.24Å; T246-E249 VanDerWaalsContact O-N 3.11Å; T246-E249 VanDerWaalsContact OG1-CG 3.29Å; T246-E249 WeakPolarHBondContact OG1-CG 3.22Å; T246-E249 PolarHBondContact OG1-N 3.23Å; T246-E249 PolarHBondContact OG1-OE2 2.97Å; D247-E249 VanDerWaalsContact C-N 3.33Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 3.01Å; E249-R252 VanDerWaalsContact CG-NH2 3.26Å; E249-R252 WeakPolarHBondContact O-CB 3.48Å; E249-R252 PolarHBondContact O-N 3.39Å; E249-R252 VanDerWaalsContact O-N 3.1Å
250	R	73.2	Confident	82.3	Confident	146 Å²	146	82.1 Å²	82.1	55%	0.551	38%	0.379	S	S	*	.	H	α-helix	trans	-59.8	-40.4	175.8	-171.2	174.8	-69.7	145.7	-0.9	111.9	P244 T246 D247 R252 E253	P244-R250 HydrophobicContact CB-CB 4.47Å; P244-R250 HydrophobicContact CG-CB 4.49Å; T246-R250 PolarHBondContact O-N 3.45Å; D247-R250 PolarHBondContact O-N 2.83Å; D247-R250 IonicContact OD1-CZ 2.66Å; D247-R250 IonicContact OD1-NH1 3.19Å; D247-R250 PolarHBondContact OD1-NH1 3.31Å; R250-R252 PolarHBondContact O-N 2.77Å; R250-E253 PolarHBondContact O-N 3.5Å
251	A	70.7	Confident	82.3	Confident	82 Å²	82	76.4 Å²	76.4	68%	0.678	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.5	176.9	0	0	0	0	0	114.9	D247 E249	D247-A251 VanDerWaalsContact O-CB 3.25Å; D247-A251 WeakPolarHBondContact O-CB 3.46Å; D247-A251 PolarHBondContact O-N 3.04Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 3.01Å
252	R	73	Confident	82	Confident	141 Å²	141	76.4 Å²	76.4	53%	0.532	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.3	173.8	-85.4	171.9	-90.4	162.5	-10.5	113.9	E248 E249 R250 R254	E248-R252 PolarHBondContact O-NE 3.01Å; E248-R252 PolarHBondContact O-NH2 2.95Å; E248-R252 VanDerWaalsContact O-NH2 3.12Å; E249-R252 VanDerWaalsContact CG-NH2 3.26Å; E249-R252 WeakPolarHBondContact O-CB 3.48Å; E249-R252 PolarHBondContact O-N 3.39Å; E249-R252 VanDerWaalsContact O-N 3.1Å; R250-R252 PolarHBondContact O-N 2.77Å; R252-R254 VanDerWaalsContact O-CD 3.25Å; R252-R254 WeakPolarHBondContact O-CD 3.23Å; R252-R254 VanDerWaalsContact O-CG 3.26Å; R252-R254 WeakPolarHBondContact O-CG 3.33Å; R252-R254 PolarHBondContact O-N 3.23Å; R252-R254 VanDerWaalsContact O-N 3.14Å; R252-R254 PolarHBondContact O-NE 3.06Å
253	E	77.9	Confident	81.9	Confident	140 Å²	140	75.1 Å²	75.1	65%	0.654	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	31.2	177.9	-57.6	-170.6	148.8	0	0	114.2	P219 R250 F282	P219-E253 WeakPolarHBondContact CD-O 3.28Å; P219-E253 WeakPolarHBondContact CG-O 3.32Å; R250-E253 PolarHBondContact O-N 3.5Å; E253-F282 VanDerWaalsContact O-CE1 3.25Å; E253-F282 WeakPolarHBondContact O-CE1 3.49Å; E253-F282 WeakPolarHBondContact O-CZ 3.47Å
254	R	82.6	Confident	82	Confident	135 Å²	135	70.9 Å²	70.9	51%	0.509	33%	0.332	S	S	.	.			trans	-142.6	132.8	-174.3	-66.3	154.1	-151.2	-90.3	-1.5	110	N216 R252 F282	N216-R254 WeakPolarHBondContact OD1-CD 3.49Å; N216-R254 VanDerWaalsContact OD1-CG 3.26Å; N216-R254 WeakPolarHBondContact OD1-CG 3.49Å; N216-R254 PolarHBondContact OD1-NH1 2.86Å; R252-R254 VanDerWaalsContact O-CD 3.25Å; R252-R254 WeakPolarHBondContact O-CD 3.23Å; R252-R254 VanDerWaalsContact O-CG 3.26Å; R252-R254 WeakPolarHBondContact O-CG 3.33Å; R252-R254 PolarHBondContact O-N 3.23Å; R252-R254 VanDerWaalsContact O-N 3.14Å; R252-R254 PolarHBondContact O-NE 3.06Å; R254-F282 HydrophobicContact CG-CD1 4.11Å; R254-F282 HydrophobicContact CG-CE1 3.77Å
255	N	87.3	Confident	82.3	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.043	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	162.8	171.3	-77.6	-6.9	0	0	0	111	N216 I217 I241 W243 P244	N216-N255 PolarHBondContact N-O 3.47Å; I217-N255 HydrophobicContact CB-CB 4.08Å; I217-N255 PolarHBondContact N-O 3.35Å; I217-N255 PolarHBondContact O-N 3.5Å; I241-N255 HydrophobicContact CG2-CB 4.32Å; W243-N255 WeakPolarHBondContact CZ3-ND2 3.31Å; P244-N255 WeakPolarHBondContact CD-OD1 3.45Å
256	C	90.1	Very high	82.8	Confident	39 Å²	39	68.5 Å²	68.5	26%	0.264	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	174.1	162.7	63.9	0	0	0	0	110.2	Y213 L214 M242	Y213-C256 HydrophobicContact CE2-CB 3.85Å; Y213-C256 WeakPolarHBondContact OH-CB 3.43Å; L214-C256 CarbonylContact O-C 3.53Å; L214-C256 WeakPolarHBondContact O-CA 3.47Å; L214-C256 VanDerWaalsContact O-CB 3.24Å; L214-C256 WeakPolarHBondContact O-CB 3.49Å; M242-C256 PolarHBondContact N-O 2.69Å
257	G	91.6	Very high	83.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-172.9	-175.6	0	0	0	0	0	113.1	Y213 L214 K240	Y213-G257 WeakPolarHBondContact CD2-O 3.34Å; L214-G257 PolarHBondContact N-O 3.1Å; L214-G257 PolarHBondContact O-N 2.84Å; K240-G257 CarbonylContact O-C 3.47Å; K240-G257 WeakPolarHBondContact O-CA 3.15Å
258	F	93.1	Very high	84.2	Confident	70 Å²	70	63.3 Å²	63.3	31%	0.307	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.9	176.4	-67.3	-86.3	0	0	0	110.8	L212 Y213 K240 M242	L212-F258 VanDerWaalsContact O-CA 3.27Å; L212-F258 WeakPolarHBondContact O-CA 3.47Å; Y213-F258 HydrophobicContact CD2-CD1 4.25Å; Y213-F258 AromaticContact CD2-CE1 3.67Å; Y213-F258 HydrophobicContact CD2-CE1 3.67Å; Y213-F258 HydrophobicContact CD2-CE2 4.27Å; Y213-F258 AromaticContact CD2-CZ 3.68Å; Y213-F258 HydrophobicContact CD2-CZ 3.68Å; Y213-F258 HydrophobicContact CE2-CZ 4.34Å; Y213-F258 HydrophobicContact CG-CE1 4.26Å; K240-F258 PolarHBondContact N-O 3.1Å; K240-F258 PolarHBondContact O-N 3.46Å; M242-F258 HydrophobicContact CG-CD2 4.28Å; M242-F258 HydrophobicContact CG-CE2 4.26Å
259	V	93.6	Very high	85	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	115.5	172.5	173.6	0	0	0	0	108.9	N211 L212 L214 F230 L236 S238 V239 F261	N211-V259 PolarHBondContact OD1-O 3.24Å; L212-V259 PolarHBondContact N-O 3.28Å; L212-V259 PolarHBondContact O-N 3.15Å; L214-V259 HydrophobicContact CD1-CG2 3.68Å; L214-V259 HydrophobicContact CD2-CB 4.36Å; L214-V259 HydrophobicContact CD2-CG2 4.16Å; L214-V259 HydrophobicContact CG-CG2 4.11Å; F230-V259 HydrophobicContact CB-CG1 4.08Å; F230-V259 HydrophobicContact CD1-CB 4.29Å; F230-V259 HydrophobicContact CD1-CG1 3.99Å; F230-V259 HydrophobicContact CD1-CG2 4.41Å; F230-V259 HydrophobicContact CD2-CG2 4.27Å; F230-V259 HydrophobicContact CG-CB 4.49Å; F230-V259 HydrophobicContact CG-CG1 4.07Å; F230-V259 HydrophobicContact CG-CG2 4.21Å; L236-V259 HydrophobicContact CD2-CG1 3.99Å; S238-V259 CarbonylContact O-C 3.49Å; S238-V259 WeakPolarHBondContact O-CA 3.38Å; V239-V259 HydrophobicContact CG1-CG2 4.19Å; V239-V259 HydrophobicContact CG2-CG1 4.35Å; V239-V259 HydrophobicContact CG2-CG2 4.17Å; V259-F261 HydrophobicContact CG1-CD2 4.17Å; V259-F261 HydrophobicContact CG1-CE2 3.78Å; V259-F261 HydrophobicContact CG1-CZ 4.41Å
260	A	92.3	Very high	86	Confident	3 Å²	3	56 Å²	56	3%	0.025	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.8	171	0	0	0	0	0	110.2	T210 N211 A237 S238	T210-A260 WeakPolarHBondContact O-CA 3.38Å; N211-A260 HydrophobicContact CB-CB 4.22Å; A237-A260 WeakPolarHBondContact CA-O 3.49Å; A237-A260 HydrophobicContact CB-CB 4.06Å; A237-A260 WeakPolarHBondContact CB-O 3.43Å; A237-A260 PolarHBondContact N-O 3.21Å; S238-A260 PolarHBondContact N-O 3.33Å; S238-A260 VanDerWaalsContact N-O 3.11Å; S238-A260 PolarHBondContact O-N 2.85Å
261	F	91.4	Very high	86.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	160.4	170.7	-74.6	-100.6	0	0	0	111.1	T210 L212 F230 L236 A237 V259 N263 D266 A267 A270	T210-F261 VanDerWaalsContact CB-O 3.25Å; T210-F261 WeakPolarHBondContact CB-O 3.48Å; T210-F261 PolarHBondContact O-N 2.74Å; T210-F261 PolarHBondContact OG1-O 2.79Å; L212-F261 HydrophobicContact CD1-CE2 3.96Å; F230-F261 HydrophobicContact CB-CZ 4.05Å; F230-F261 HydrophobicContact CD1-CE2 4.03Å; F230-F261 HydrophobicContact CD1-CZ 4.03Å; L236-F261 HydrophobicContact CD2-CD1 3.6Å; L236-F261 HydrophobicContact CD2-CD2 4.32Å; L236-F261 HydrophobicContact CD2-CE1 3.34Å; L236-F261 HydrophobicContact CD2-CE2 4.1Å; L236-F261 HydrophobicContact CD2-CG 4.08Å; L236-F261 HydrophobicContact CD2-CZ 3.61Å; A237-F261 WeakPolarHBondContact CB-O 3.42Å; V259-F261 HydrophobicContact CG1-CD2 4.17Å; V259-F261 HydrophobicContact CG1-CE2 3.78Å; V259-F261 HydrophobicContact CG1-CZ 4.41Å; F261-N263 VanDerWaalsContact C-N 3.34Å; F261-N263 VanDerWaalsContact CB-O 3.31Å; F261-N263 WeakPolarHBondContact CB-O 3.45Å; F261-D266 HydrophobicContact CB-CB 4.46Å; F261-D266 HydrophobicContact CD1-CB 3.57Å; F261-D266 HydrophobicContact CE1-CB 4.11Å; F261-D266 HydrophobicContact CG-CB 4.23Å; F261-A267 HydrophobicContact CB-CB 4.14Å; F261-A267 HydrophobicContact CD2-CB 3.68Å; F261-A267 HydrophobicContact CE2-CB 4.42Å; F261-A267 HydrophobicContact CG-CB 4.08Å; F261-A270 HydrophobicContact CE1-CB 4.39Å; F261-A270 HydrophobicContact CE2-CB 3.76Å; F261-A270 HydrophobicContact CZ-CB 3.47Å; F261-A270 VanDerWaalsContact CZ-CB 3.47Å
262	M	86.2	Confident	87.7	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.03	23%	0.232	C	C	.	.	S	Bend	trans	-65.5	-37	167.4	-75.7	-79.1	140.8	0	0	112.2	P235 A237 I294 P295 P298 Y447 L448	P235-M262 HydrophobicContact CB-CG 4.31Å; P235-M262 HydrophobicContact CG-CB 4.09Å; P235-M262 HydrophobicContact CG-CG 4.22Å; P235-M262 PolarHBondContact O-N 2.74Å; A237-M262 HydrophobicContact CB-CE 3.68Å; M262-I294 HydrophobicContact CE-CG2 3.67Å; M262-I294 HydrophobicContact SD-CG2 3.66Å; M262-P295 HydrophobicContact CE-CG 3.96Å; M262-P295 WeakPolarHBondContact CE-O 3.13Å; M262-P298 HydrophobicContact CE-CB 3.96Å; M262-P298 HydrophobicContact CG-CB 4.07Å; M262-Y447 VanDerWaalsContact CB-O 3.3Å; M262-Y447 WeakPolarHBondContact CB-O 3.33Å; M262-L448 WeakPolarHBondContact O-CD2 3.18Å
263	N	85.1	Confident	88.4	Confident	36 Å²	36	52.1 Å²	52.1	19%	0.193	23%	0.231	C	C	.	.	S	Bend	trans	-121.3	147.5	-178.7	-169.6	1.9	0	0	0	111.9	F261 R265 A267 L448	F261-N263 VanDerWaalsContact C-N 3.34Å; F261-N263 VanDerWaalsContact CB-O 3.31Å; F261-N263 WeakPolarHBondContact CB-O 3.45Å; N263-R265 PolarHBondContact OD1-N 2.79Å; N263-A267 PolarHBondContact O-N 3.26Å; N263-L448 HydrophobicContact CB-CD2 4.33Å; N263-L448 PolarHBondContact ND2-O 3.39Å
264	R	86.6	Confident	88.9	Confident	43 Å²	43	45.4 Å²	45.4	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-41.2	175.3	174.2	62.3	-169.1	-150.9	-7	112.1	P207 T209 T210 D266 A267 E268 W288	P207-R264 WeakPolarHBondContact O-CD 3.38Å; P207-R264 VanDerWaalsContact O-CZ 3.31Å; P207-R264 PolarHBondContact O-NE 3.02Å; T209-R264 WeakPolarHBondContact O-CD 3.42Å; T209-R264 PolarHBondContact O-NH1 2.98Å; T209-R264 PolarHBondContact OG1-NH1 3.26Å; T210-R264 HydrophobicContact CG2-CB 4.2Å; R264-D266 VanDerWaalsContact C-N 3.28Å; R264-D266 PolarHBondContact O-N 3.17Å; R264-A267 PolarHBondContact O-N 2.97Å; R264-E268 IonicContact CZ-OE1 2.74Å; R264-E268 IonicContact NE-OE1 3.46Å; R264-E268 PolarHBondContact NE-OE1 3.29Å; R264-E268 IonicContact NH2-OE1 3.01Å; R264-E268 PolarHBondContact NH2-OE1 2.83Å; R264-E268 PolarHBondContact O-N 3.38Å; R264-W288 VanDerWaalsContact CZ-CH2 3.41Å; R264-W288 VanDerWaalsContact NH1-CE3 3.35Å; R264-W288 VanDerWaalsContact NH1-CZ3 3.33Å; R264-W288 VanDerWaalsContact NH2-CZ2 3.26Å
265	R	85.2	Confident	89.3	Confident	188 Å²	188	42.9 Å²	42.9	71%	0.709	20%	0.196	S	C	*	.	H	α-helix	trans	-58	-40.9	179.6	-68.4	-172.5	179.5	-173.6	-0.2	111.8	N263 E268 R269	N263-R265 PolarHBondContact OD1-N 2.79Å; R265-E268 WeakPolarHBondContact O-CB 3.4Å; R265-E268 PolarHBondContact O-N 2.94Å; R265-R269 PolarHBondContact O-N 3.15Å
266	D	88.1	Confident	89.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-71.2	-38.2	-179.9	-61.5	-27.8	0	0	0	112.3	Y233 F261 R264 E268 R269 A270	Y233-D266 VanDerWaalsContact O-CB 3.27Å; Y233-D266 WeakPolarHBondContact O-CB 2.85Å; Y233-D266 VanDerWaalsContact O-CG 3.28Å; F261-D266 HydrophobicContact CB-CB 4.46Å; F261-D266 HydrophobicContact CD1-CB 3.57Å; F261-D266 HydrophobicContact CE1-CB 4.11Å; F261-D266 HydrophobicContact CG-CB 4.23Å; R264-D266 VanDerWaalsContact C-N 3.28Å; R264-D266 PolarHBondContact O-N 3.17Å; D266-E268 VanDerWaalsContact C-N 3.28Å; D266-E268 PolarHBondContact O-N 3.5Å; D266-R269 PolarHBondContact O-N 2.93Å; D266-R269 IonicContact OD1-CZ 3.73Å; D266-R269 IonicContact OD1-NE 3.6Å; D266-R269 IonicContact OD1-NH2 2.7Å; D266-R269 PolarHBondContact OD1-NH2 2.61Å; D266-A270 WeakPolarHBondContact O-CB 3.12Å; D266-A270 PolarHBondContact O-N 2.99Å
267	A	89.8	Confident	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-36.7	170.5	0	0	0	0	0	112.1	L212 F261 N263 R264 L271 W288	L212-A267 HydrophobicContact CD2-CB 4.38Å; L212-A267 HydrophobicContact CG-CB 4.34Å; F261-A267 HydrophobicContact CB-CB 4.14Å; F261-A267 HydrophobicContact CD2-CB 3.68Å; F261-A267 HydrophobicContact CE2-CB 4.42Å; F261-A267 HydrophobicContact CG-CB 4.08Å; N263-A267 PolarHBondContact O-N 3.26Å; R264-A267 PolarHBondContact O-N 2.97Å; A267-L271 VanDerWaalsContact O-CB 3.24Å; A267-L271 WeakPolarHBondContact O-CB 3.26Å; A267-L271 PolarHBondContact O-N 3.17Å; A267-W288 HydrophobicContact CB-CH2 4.08Å; A267-W288 HydrophobicContact CB-CZ3 3.9Å
268	E	89.1	Confident	89	Confident	67 Å²	67	51.6 Å²	51.6	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-69.6	-40.9	174	-71.5	-175.1	177.3	0	0	112.7	R264 R265 D266 L271 K272 W288	R264-E268 IonicContact CZ-OE1 2.74Å; R264-E268 IonicContact NE-OE1 3.46Å; R264-E268 PolarHBondContact NE-OE1 3.29Å; R264-E268 IonicContact NH2-OE1 3.01Å; R264-E268 PolarHBondContact NH2-OE1 2.83Å; R264-E268 PolarHBondContact O-N 3.38Å; R265-E268 WeakPolarHBondContact O-CB 3.4Å; R265-E268 PolarHBondContact O-N 2.94Å; D266-E268 VanDerWaalsContact C-N 3.28Å; D266-E268 PolarHBondContact O-N 3.5Å; E268-L271 PolarHBondContact O-N 2.86Å; E268-K272 WeakPolarHBondContact O-CB 3.41Å; E268-K272 VanDerWaalsContact O-CG 3.31Å; E268-K272 WeakPolarHBondContact O-CG 3.35Å; E268-K272 PolarHBondContact O-N 3.21Å; E268-W288 HydrophobicContact CG-CH2 3.61Å; E268-W288 HydrophobicContact CG-CZ2 3.71Å
269	R	88.6	Confident	88.6	Confident	71 Å²	71	49.2 Å²	49.2	27%	0.268	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-44.4	173	-72	-162.8	-73.5	-172.6	-2.1	111.1	Y233 R265 D266 N273 P451 D453	Y233-R269 HydrophobicContact CD1-CB 4.22Å; R265-R269 PolarHBondContact O-N 3.15Å; D266-R269 PolarHBondContact O-N 2.93Å; D266-R269 IonicContact OD1-CZ 3.73Å; D266-R269 IonicContact OD1-NE 3.6Å; D266-R269 IonicContact OD1-NH2 2.7Å; D266-R269 PolarHBondContact OD1-NH2 2.61Å; R269-N273 WeakPolarHBondContact O-CB 3.49Å; R269-N273 PolarHBondContact O-N 3.42Å; R269-N273 PolarHBondContact O-ND2 3.01Å; R269-P451 PolarHBondContact NH2-O 2.87Å; R269-D453 IonicContact NH1-OD2 2.67Å
270	A	91.3	Very high	88.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-46.1	175.3	0	0	0	0	0	112.2	L212 F230 Y233 F261 D266 K272 N273 L274	L212-A270 HydrophobicContact CD1-CB 4.05Å; F230-A270 HydrophobicContact CD1-CB 4.16Å; Y233-A270 HydrophobicContact CD2-CB 3.99Å; Y233-A270 HydrophobicContact CG-CB 3.91Å; F261-A270 HydrophobicContact CE1-CB 4.39Å; F261-A270 HydrophobicContact CE2-CB 3.76Å; F261-A270 HydrophobicContact CZ-CB 3.47Å; F261-A270 VanDerWaalsContact CZ-CB 3.47Å; D266-A270 WeakPolarHBondContact O-CB 3.12Å; D266-A270 PolarHBondContact O-N 2.99Å; A270-K272 PolarHBondContact O-N 3.43Å; A270-N273 PolarHBondContact O-N 3.23Å; A270-L274 HydrophobicContact CB-CD1 4.47Å; A270-L274 VanDerWaalsContact O-CB 3.3Å; A270-L274 WeakPolarHBondContact O-CB 3.47Å; A270-L274 PolarHBondContact O-N 2.83Å
271	L	90.1	Very high	87.9	Confident	27 Å²	27	59.7 Å²	59.7	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-59.8	-43.2	178.8	178.8	60.3	0	0	0	112.1	L212 A267 E268 N275 L286 W288	L212-L271 HydrophobicContact CD1-CB 4.46Å; L212-L271 HydrophobicContact CD2-CB 4.04Å; L212-L271 HydrophobicContact CD2-CD1 4.44Å; L212-L271 HydrophobicContact CD2-CD2 4.41Å; A267-L271 VanDerWaalsContact O-CB 3.24Å; A267-L271 WeakPolarHBondContact O-CB 3.26Å; A267-L271 PolarHBondContact O-N 3.17Å; E268-L271 PolarHBondContact O-N 2.86Å; L271-N275 HydrophobicContact CD1-CB 4.41Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 3.39Å; L271-L286 HydrophobicContact CD1-CB 3.43Å; L271-L286 VanDerWaalsContact CD1-CB 3.43Å; L271-L286 HydrophobicContact CD1-CD1 4.47Å; L271-W288 HydrophobicContact CD2-CD2 4.16Å; L271-W288 VanDerWaalsContact CD2-CE2 3.4Å; L271-W288 HydrophobicContact CD2-CH2 4.02Å; L271-W288 HydrophobicContact CD2-CZ2 3.3Å
272	K	88.4	Confident	87.6	Confident	164 Å²	164	61.8 Å²	61.8	71%	0.713	30%	0.297	S	S	*	.	H	α-helix	trans	-64.9	-38	178.4	-73.1	170.9	-178.3	174.7	0	112.9	E268 A270	E268-K272 WeakPolarHBondContact O-CB 3.41Å; E268-K272 VanDerWaalsContact O-CG 3.31Å; E268-K272 WeakPolarHBondContact O-CG 3.35Å; E268-K272 PolarHBondContact O-N 3.21Å; A270-K272 PolarHBondContact O-N 3.43Å
273	N	88.4	Confident	87.8	Confident	96 Å²	96	65.2 Å²	65.2	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-97.4	-22.2	-170.3	-73.4	-73.4	0	0	0	115.3	Y233 R269 A270	Y233-N273 HydrophobicContact CD1-CB 4.49Å; Y233-N273 HydrophobicContact CE1-CB 3.51Å; R269-N273 WeakPolarHBondContact O-CB 3.49Å; R269-N273 PolarHBondContact O-N 3.42Å; R269-N273 PolarHBondContact O-ND2 3.01Å; A270-N273 PolarHBondContact O-N 3.23Å
274	L	88.6	Confident	88	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-106.4	-12.8	-176.7	-64.5	-179.4	0	0	0	113.8	F230 Y233 A270 K277 M284 L286	F230-L274 HydrophobicContact CD1-CD1 3.66Å; F230-L274 HydrophobicContact CD2-CD1 4.09Å; F230-L274 HydrophobicContact CE1-CD1 3.53Å; F230-L274 HydrophobicContact CE2-CD1 3.97Å; F230-L274 HydrophobicContact CG-CD1 3.93Å; F230-L274 HydrophobicContact CZ-CD1 3.68Å; Y233-L274 HydrophobicContact CD2-CD1 4.01Å; Y233-L274 HydrophobicContact CD2-CG 4.37Å; Y233-L274 HydrophobicContact CE2-CD1 3.61Å; Y233-L274 HydrophobicContact CE2-CD2 3.78Å; Y233-L274 HydrophobicContact CE2-CG 3.6Å; A270-L274 HydrophobicContact CB-CD1 4.47Å; A270-L274 VanDerWaalsContact O-CB 3.3Å; A270-L274 WeakPolarHBondContact O-CB 3.47Å; A270-L274 PolarHBondContact O-N 2.83Å; L274-K277 HydrophobicContact CD2-CD 3.51Å; L274-K277 WeakPolarHBondContact O-CB 3.3Å; L274-K277 PolarHBondContact O-N 3.16Å; L274-M284 HydrophobicContact CB-CE 3.77Å; L274-M284 HydrophobicContact CD1-CE 4.18Å; L274-M284 HydrophobicContact CG-CE 4.42Å; L274-L286 HydrophobicContact CB-CD1 3.6Å
275	N	89.9	Confident	88.1	Confident	82 Å²	82	66.7 Å²	66.7	44%	0.439	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	127.9	176.7	-166.3	19.3	0	0	0	111.1	L271 K277 L286	L271-N275 HydrophobicContact CD1-CB 4.41Å; L271-N275 WeakPolarHBondContact O-CB 3.47Å; L271-N275 PolarHBondContact O-N 3.39Å; N275-K277 PolarHBondContact O-N 3.31Å; N275-L286 HydrophobicContact CB-CB 3.95Å; N275-L286 HydrophobicContact CB-CD1 4.39Å; N275-L286 HydrophobicContact CB-CG 4.21Å; N275-L286 PolarHBondContact OD1-N 2.93Å
276	G	86.6	Confident	88.5	Confident	39 Å²	39	58.6 Å²	58.6	40%	0.402	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	0.6	-172.9	0	0	0	0	0	114.2	M284	G276-M284 PolarHBondContact N-O 3.3Å
277	K	88.6	Confident	88.6	Confident	68 Å²	68	59.5 Å²	59.5	30%	0.296	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	130.8	179.2	-171.5	-175.3	175.8	-166.7	0	110.3	E229 L274 N275 I279 M284	E229-K277 IonicContact OE2-NZ 3.5Å; E229-K277 PolarHBondContact OE2-NZ 2.77Å; L274-K277 HydrophobicContact CD2-CD 3.51Å; L274-K277 WeakPolarHBondContact O-CB 3.3Å; L274-K277 PolarHBondContact O-N 3.16Å; N275-K277 PolarHBondContact O-N 3.31Å; K277-I279 HydrophobicContact CD-CD1 4.29Å; K277-I279 HydrophobicContact CD-CG1 4.23Å; K277-I279 HydrophobicContact CG-CG1 4.24Å; K277-I279 PolarHBondContact O-N 3.43Å; K277-M284 PolarHBondContact O-N 2.93Å
278	M	88	Confident	88.6	Confident	122 Å²	122	61.1 Å²	61.1	60%	0.601	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	114	172.3	-71.2	-70.6	-79.3	0	0	110.3	N281 F282 E283	M278-N281 WeakPolarHBondContact CE-O 3.3Å; M278-F282 WeakPolarHBondContact CA-O 3.43Å; M278-E283 HydrophobicContact SD-CB 3.78Å; M278-E283 PolarHBondContact SD-N 3.18Å
279	I	84.9	Confident	88.5	Confident	20 Å²	20	58 Å²	58	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.8	175.3	-58.9	-175.7	0	0	0	108.4	M221 E229 K277 N281 F282 M284	M221-I279 HydrophobicContact CE-CG2 4.03Å; M221-I279 HydrophobicContact SD-CG2 4.36Å; E229-I279 HydrophobicContact CG-CD1 4.34Å; K277-I279 HydrophobicContact CD-CD1 4.29Å; K277-I279 HydrophobicContact CD-CG1 4.23Å; K277-I279 HydrophobicContact CG-CG1 4.24Å; K277-I279 PolarHBondContact O-N 3.43Å; I279-N281 PolarHBondContact O-N 2.71Å; I279-N281 VanDerWaalsContact O-N 3.16Å; I279-F282 PolarHBondContact N-O 2.82Å; I279-F282 PolarHBondContact O-N 3.39Å; I279-M284 HydrophobicContact CD1-CE 3.55Å; I279-M284 HydrophobicContact CD1-SD 4.28Å
280	M	83.4	Confident	88.3	Confident	77 Å²	77	62.5 Å²	62.5	38%	0.379	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	41.9	-176.7	-58.2	175.2	69.1	0	0	113.2	N218 Q220 M221 F282	N218-M280 HydrophobicContact CB-CB 4.11Å; N218-M280 WeakPolarHBondContact ND2-CB 3.3Å; N218-M280 PolarHBondContact ND2-O 2.93Å; Q220-M280 HydrophobicContact CB-CE 4.16Å; M221-M280 HydrophobicContact CG-SD 4.49Å; M280-F282 VanDerWaalsContact C-N 3.32Å; M280-F282 WeakPolarHBondContact O-CD2 3.4Å; M280-F282 PolarHBondContact O-N 3.43Å
281	N	86.9	Confident	87.9	Confident	147 Å²	147	64.2 Å²	64.2	79%	0.786	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	11	-175.7	-55.7	-18.8	0	0	0	117	M278 I279	M278-N281 WeakPolarHBondContact CE-O 3.3Å; I279-N281 PolarHBondContact O-N 2.71Å; I279-N281 VanDerWaalsContact O-N 3.16Å
282	F	87	Confident	87.5	Confident	43 Å²	43	66.2 Å²	66.2	19%	0.189	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.9	172.6	-72.1	-107.8	0	0	0	111.2	N216 N218 E253 R254 M278 I279 M280 M284	N216-F282 WeakPolarHBondContact O-CB 3.49Å; N218-F282 HydrophobicContact CB-CB 4.45Å; N218-F282 HydrophobicContact CB-CD2 3.54Å; N218-F282 HydrophobicContact CB-CE2 3.94Å; N218-F282 HydrophobicContact CB-CG 4.07Å; N218-F282 WeakPolarHBondContact ND2-CD2 3.49Å; N218-F282 WeakPolarHBondContact ND2-CE2 3Å; E253-F282 VanDerWaalsContact O-CE1 3.25Å; E253-F282 WeakPolarHBondContact O-CE1 3.49Å; E253-F282 WeakPolarHBondContact O-CZ 3.47Å; R254-F282 HydrophobicContact CG-CD1 4.11Å; R254-F282 HydrophobicContact CG-CE1 3.77Å; M278-F282 WeakPolarHBondContact CA-O 3.43Å; I279-F282 PolarHBondContact N-O 2.82Å; I279-F282 PolarHBondContact O-N 3.39Å; M280-F282 VanDerWaalsContact C-N 3.32Å; M280-F282 WeakPolarHBondContact O-CD2 3.4Å; M280-F282 PolarHBondContact O-N 3.43Å; F282-M284 PolarHBondContact O-N 3.03Å
283	E	89.4	Confident	87	Confident	79 Å²	79	64.3 Å²	64.3	37%	0.369	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	101.9	175.1	-176.9	-150.7	165.3	0	0	109.9	N216 M278 K285	N216-E283 WeakPolarHBondContact CB-O 3.28Å; N216-E283 PolarHBondContact ND2-O 3.45Å; M278-E283 HydrophobicContact SD-CB 3.78Å; M278-E283 PolarHBondContact SD-N 3.18Å; E283-K285 PolarHBondContact O-N 3.12Å; E283-K285 WeakPolarHBondContact OE1-CE 3.26Å; E283-K285 IonicContact OE1-NZ 3.62Å; E283-K285 WeakPolarHBondContact OE2-CE 3.17Å; E283-K285 IonicContact OE2-NZ 3.08Å; E283-K285 PolarHBondContact OE2-NZ 3.49Å
284	M	88.9	Confident	86.6	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	121	-175.4	-167.4	167.2	60.2	0	0	111.1	F230 L274 G276 K277 I279 F282 L286	F230-M284 HydrophobicContact CE2-CE 3.61Å; F230-M284 HydrophobicContact CE2-SD 3.89Å; F230-M284 HydrophobicContact CZ-CE 3.43Å; F230-M284 VanDerWaalsContact CZ-CE 3.43Å; F230-M284 HydrophobicContact CZ-SD 3.91Å; L274-M284 HydrophobicContact CB-CE 3.77Å; L274-M284 HydrophobicContact CD1-CE 4.18Å; L274-M284 HydrophobicContact CG-CE 4.42Å; G276-M284 PolarHBondContact N-O 3.3Å; K277-M284 PolarHBondContact O-N 2.93Å; I279-M284 HydrophobicContact CD1-CE 3.55Å; I279-M284 HydrophobicContact CD1-SD 4.28Å; F282-M284 PolarHBondContact O-N 3.03Å; M284-L286 HydrophobicContact CE-CD1 4.44Å; M284-L286 HydrophobicContact CE-CD2 4.24Å; M284-L286 HydrophobicContact CG-CD2 3.81Å; M284-L286 HydrophobicContact SD-CD2 4.23Å
285	K	89.4	Confident	86.1	Confident	107 Å²	107	65.7 Å²	65.7	47%	0.465	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.5	-176.8	-67.2	-170.5	176.4	-175.5	0	110.2	G215 E283	G215-K285 WeakPolarHBondContact CA-O 3.29Å; G215-K285 PolarHBondContact N-O 3.28Å; G215-K285 PolarHBondContact O-N 3.27Å; E283-K285 PolarHBondContact O-N 3.12Å; E283-K285 WeakPolarHBondContact OE1-CE 3.26Å; E283-K285 IonicContact OE1-NZ 3.62Å; E283-K285 WeakPolarHBondContact OE2-CE 3.17Å; E283-K285 IonicContact OE2-NZ 3.08Å; E283-K285 PolarHBondContact OE2-NZ 3.49Å
286	L	92.7	Very high	84.9	Confident	17 Å²	17	67.3 Å²	67.3	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	151.7	-172.7	-57.3	-169.8	0	0	0	112.1	Y213 L214 F230 L271 L274 N275 M284	Y213-L286 WeakPolarHBondContact O-CA 3.36Å; L214-L286 HydrophobicContact CB-CD2 4.44Å; L214-L286 HydrophobicContact CD2-CD2 3.44Å; L214-L286 VanDerWaalsContact CD2-CD2 3.44Å; L214-L286 HydrophobicContact CG-CD2 4.5Å; F230-L286 HydrophobicContact CE1-CD1 4.07Å; F230-L286 HydrophobicContact CZ-CD1 4.17Å; F230-L286 HydrophobicContact CZ-CD2 4.11Å; L271-L286 HydrophobicContact CD1-CB 3.43Å; L271-L286 VanDerWaalsContact CD1-CB 3.43Å; L271-L286 HydrophobicContact CD1-CD1 4.47Å; L274-L286 HydrophobicContact CB-CD1 3.6Å; N275-L286 HydrophobicContact CB-CB 3.95Å; N275-L286 HydrophobicContact CB-CD1 4.39Å; N275-L286 HydrophobicContact CB-CG 4.21Å; N275-L286 PolarHBondContact OD1-N 2.93Å; M284-L286 HydrophobicContact CE-CD1 4.44Å; M284-L286 HydrophobicContact CE-CD2 4.24Å; M284-L286 HydrophobicContact CG-CD2 3.81Å; M284-L286 HydrophobicContact SD-CD2 4.23Å
287	G	90	Very high	84.1	Confident	21 Å²	21	71.4 Å²	71.4	22%	0.216	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	173.6	172.4	0	0	0	0	0	112.1	L212 Y213 G289	L212-G287 WeakPolarHBondContact CA-O 3.26Å; Y213-G287 PolarHBondContact N-O 2.88Å; Y213-G287 PolarHBondContact O-N 3.23Å; G287-G289 PolarHBondContact O-N 3.25Å
288	W	91.1	Very high	83.8	Confident	34 Å²	34	69.1 Å²	69.1	13%	0.129	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.3	177.5	-65.5	119.4	0	0	0	111.3	S201 T209 L212 R264 A267 E268 L271	S201-W288 PolarHBondContact OG-O 3.25Å; T209-W288 WeakPolarHBondContact O-CZ3 3.2Å; L212-W288 HydrophobicContact CD2-CD2 4.4Å; L212-W288 HydrophobicContact CD2-CE3 3.64Å; L212-W288 HydrophobicContact CD2-CH2 3.9Å; L212-W288 HydrophobicContact CD2-CZ3 3.36Å; L212-W288 HydrophobicContact CG-CZ3 4.49Å; R264-W288 VanDerWaalsContact CZ-CH2 3.41Å; R264-W288 VanDerWaalsContact NH1-CE3 3.35Å; R264-W288 VanDerWaalsContact NH1-CZ3 3.33Å; R264-W288 VanDerWaalsContact NH2-CZ2 3.26Å; A267-W288 HydrophobicContact CB-CH2 4.08Å; A267-W288 HydrophobicContact CB-CZ3 3.9Å; E268-W288 HydrophobicContact CG-CH2 3.61Å; E268-W288 HydrophobicContact CG-CZ2 3.71Å; L271-W288 HydrophobicContact CD2-CD2 4.16Å; L271-W288 VanDerWaalsContact CD2-CE2 3.4Å; L271-W288 HydrophobicContact CD2-CH2 4.02Å; L271-W288 HydrophobicContact CD2-CZ2 3.3Å
289	G	86.1	Confident	83.6	Confident	1 Å²	1	69 Å²	69	1%	0.01	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-95.8	168	171.9	0	0	0	0	0	111.6	N211 G287 G291	N211-G289 WeakPolarHBondContact O-CA 3.38Å; N211-G289 PolarHBondContact O-N 3.03Å; G287-G289 PolarHBondContact O-N 3.25Å; G289-G291 PolarHBondContact O-N 3.42Å
290	K	84.7	Confident	83.6	Confident	165 Å²	165	70.9 Å²	70.9	72%	0.717	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-60.7	134.6	171.6	-176	-177.5	175.9	-177.4	0	110.3	N211	N211-K290 PolarHBondContact ND2-O 2.67Å
291	G	81.9	Confident	83.6	Confident	36 Å²	36	69.1 Å²	69.1	37%	0.371	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-53.8	143.1	174.3	0	0	0	0	0	113.5	G289	G289-G291 PolarHBondContact O-N 3.42Å
292	V	82.5	Confident	83.2	Confident	70 Å²	70	62.3 Å²	62.3	42%	0.424	34%	0.335	S	S	.	.			trans	-127.8	140	-178.3	177.8	0	0	0	0	108.1	I294	V292-I294 PolarHBondContact O-N 3.01Å
293	P	78.1	Confident	82.6	Confident	123 Å²	123	64.7 Å²	64.7	80%	0.799	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-57.1	123	173.9	-24.9	35.1	0	0	0	111.5
294	I	80.6	Confident	81.5	Confident	79 Å²	79	64.5 Å²	64.5	41%	0.405	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-77.2	125.6	-178.1	-58.5	176.5	0	0	0	108.4	T210 A237 M262 V292	T210-I294 HydrophobicContact CG2-CD1 3.84Å; A237-I294 HydrophobicContact CB-CG2 4Å; M262-I294 HydrophobicContact CE-CG2 3.67Å; M262-I294 HydrophobicContact SD-CG2 3.66Å; V292-I294 PolarHBondContact O-N 3.01Å
295	P	77	Confident	80.5	Confident	47 Å²	47	64.9 Å²	64.9	31%	0.305	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-69	153.8	174.5	29.9	-32.7	0	0	0	110.5	A237 M262 H297	A237-P295 HydrophobicContact CB-CG 4.49Å; A237-P295 WeakPolarHBondContact O-CG 3.45Å; M262-P295 HydrophobicContact CE-CG 3.96Å; M262-P295 WeakPolarHBondContact CE-O 3.13Å; P295-H297 PolarHBondContact O-N 3.42Å; P295-H297 VanDerWaalsContact O-N 3.1Å
296	P	65.2	Low	79.6	Confident	115 Å²	115	63.9 Å²	63.9	75%	0.747	36%	0.362	S	S	*	.	S	Bend	trans	-70.3	-8.5	-175.3	29.5	-36.8	0	0	0	114.2
297	H	69.8	Low	78.4	Confident	126 Å²	126	69 Å²	69	58%	0.583	39%	0.386	S	S	*	.	S	Bend	trans	-137.1	140	175.5	-70.9	38.1	0	0	0	108.4	P295	P295-H297 PolarHBondContact O-N 3.42Å; P295-H297 VanDerWaalsContact O-N 3.1Å
298	P	82.6	Confident	77	Confident	19 Å²	19	73.2 Å²	73.2	12%	0.123	40%	0.399	C	S	.	.			trans	-69.7	151.9	176.7	29.6	-36.4	0	0	0	112.9	P235 L236 M262 I301 Y447	P235-P298 HydrophobicContact CB-CB 4.17Å; P235-P298 HydrophobicContact CB-CG 4.37Å; L236-P298 CarbonylContact O-C 3.58Å; L236-P298 VanDerWaalsContact O-CA 3.32Å; L236-P298 WeakPolarHBondContact O-CA 3.49Å; L236-P298 VanDerWaalsContact O-CB 3.28Å; L236-P298 WeakPolarHBondContact O-CB 3.5Å; M262-P298 HydrophobicContact CE-CB 3.96Å; M262-P298 HydrophobicContact CG-CB 4.07Å; P298-I301 HydrophobicContact CB-CG1 4.44Å; P298-I301 HydrophobicContact CG-CD1 4.23Å; P298-I301 HydrophobicContact CG-CG1 3.56Å; P298-Y447 VanDerWaalsContact CD-CD2 3.4Å; P298-Y447 HydrophobicContact CG-CD1 3.84Å; P298-Y447 HydrophobicContact CG-CD2 3.83Å; P298-Y447 HydrophobicContact CG-CE1 3.99Å; P298-Y447 HydrophobicContact CG-CE2 3.97Å; P298-Y447 HydrophobicContact CG-CG 3.75Å
299	I	84.2	Confident	75.9	Confident	120 Å²	120	72.5 Å²	72.5	62%	0.615	40%	0.399	S	S	*	.	S	Bend	trans	-79.7	-30.4	172.6	-59	-173.9	0	0	0	110.4	L236	L236-I299 PolarHBondContact O-N 3.22Å
300	Y	84.3	Confident	75.3	Confident	59 Å²	59	76.8 Å²	76.8	23%	0.231	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-132.3	125.3	174.6	-176.3	-92.2	0	0	0	110.9	C227 P235 L236	C227-Y300 HydrophobicContact CB-CD1 4.48Å; C227-Y300 HydrophobicContact CB-CD2 3.67Å; C227-Y300 HydrophobicContact CB-CE2 4.14Å; C227-Y300 HydrophobicContact CB-CG 3.85Å; C227-Y300 WeakPolarHBondContact O-CE1 3.27Å; P235-Y300 WeakPolarHBondContact CA-O 3.37Å; L236-Y300 HydrophobicContact CD1-CD1 4.32Å; L236-Y300 HydrophobicContact CG-CD1 4.38Å; L236-Y300 PolarHBondContact N-O 2.84Å
301	I	82.5	Confident	74.9	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.205	41%	0.405	C	S	.	.			trans	-105.4	127	172.7	-58	167.1	0	0	0	107.2	P298 M305 M306 Y447	P298-I301 HydrophobicContact CB-CG1 4.44Å; P298-I301 HydrophobicContact CG-CD1 4.23Å; P298-I301 HydrophobicContact CG-CG1 3.56Å; I301-M305 HydrophobicContact CG2-CB 4.11Å; I301-M306 HydrophobicContact CG2-CB 3.97Å; I301-M306 HydrophobicContact CG2-CG 4.33Å; I301-Y447 HydrophobicContact CD1-CE1 3.73Å; I301-Y447 WeakPolarHBondContact CD1-OH 3.37Å; I301-Y447 HydrophobicContact CG1-CD1 4.42Å; I301-Y447 HydrophobicContact CG1-CE1 3.75Å; I301-Y447 HydrophobicContact CG2-CE1 4Å
302	P	78.2	Confident	74.7	Confident	4 Å²	4	70.9 Å²	70.9	3%	0.026	39%	0.393	C	S	.	.			trans	-63.7	138.9	174.8	-20	33.1	0	0	0	110.3	G231 S304 M305 M306	G231-P302 WeakPolarHBondContact O-CB 3.2Å; G231-P302 WeakPolarHBondContact O-CG 3.42Å; P302-S304 VanDerWaalsContact C-N 3.25Å; P302-S304 PolarHBondContact O-N 2.78Å; P302-S304 VanDerWaalsContact O-N 3.15Å; P302-M305 HydrophobicContact CB-CB 4.4Å; P302-M305 HydrophobicContact CB-CG 4.18Å; P302-M305 HydrophobicContact CG-CB 4.48Å; P302-M305 HydrophobicContact CG-CG 4.11Å; P302-M305 HydrophobicContact CG-SD 3.86Å; P302-M305 WeakPolarHBondContact O-CA 3.48Å; P302-M305 WeakPolarHBondContact O-CB 3.23Å; P302-M305 PolarHBondContact O-N 3.48Å; P302-M306 PolarHBondContact O-N 2.85Å
303	P	75.5	Confident	74.6	Confident	94 Å²	94	71.7 Å²	71.7	61%	0.61	40%	0.4	S	S	*	.	H	α-helix	trans	-54.4	-37.4	-176.8	-30.2	36.4	0	0	0	114.6	M306 E307	P303-M306 WeakPolarHBondContact O-CB 3.38Å; P303-M306 PolarHBondContact O-N 3.27Å; P303-M306 VanDerWaalsContact O-N 3.16Å; P303-E307 PolarHBondContact O-N 3.17Å
304	S	65.9	Low	74.7	Confident	75 Å²	75	70.6 Å²	70.6	52%	0.524	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-42.2	173.5	47	0	0	0	0	112.9	P302 M306	P302-S304 VanDerWaalsContact C-N 3.25Å; P302-S304 PolarHBondContact O-N 2.78Å; P302-S304 VanDerWaalsContact O-N 3.15Å; S304-M306 VanDerWaalsContact C-N 3.3Å; S304-M306 PolarHBondContact O-N 2.94Å
305	M	67.8	Low	74.6	Confident	10 Å²	10	67.7 Å²	67.7	5%	0.049	38%	0.38	C	S	.	.	H	α-helix	trans	-69.7	-29.6	174.2	-64	-168.7	78.8	0	0	112.6	P235 I301 P302 E307 H308 H449 P451	P235-M305 HydrophobicContact CB-SD 4.26Å; P235-M305 VanDerWaalsContact CD-SD 3.6Å; P235-M305 HydrophobicContact CG-CE 4.03Å; P235-M305 HydrophobicContact CG-SD 3.82Å; I301-M305 HydrophobicContact CG2-CB 4.11Å; P302-M305 HydrophobicContact CB-CB 4.4Å; P302-M305 HydrophobicContact CB-CG 4.18Å; P302-M305 HydrophobicContact CG-CB 4.48Å; P302-M305 HydrophobicContact CG-CG 4.11Å; P302-M305 HydrophobicContact CG-SD 3.86Å; P302-M305 WeakPolarHBondContact O-CA 3.48Å; P302-M305 WeakPolarHBondContact O-CB 3.23Å; P302-M305 PolarHBondContact O-N 3.48Å; M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 PolarHBondContact O-N 3.41Å; M305-H308 PolarHBondContact O-N 3.42Å; M305-H449 WeakPolarHBondContact CE-O 3.39Å; M305-P451 HydrophobicContact CG-CB 4.19Å
306	M	71.1	Confident	74.6	Confident	87 Å²	87	68.5 Å²	68.5	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-32.6	-178.2	-156.8	169.1	-166.1	0	0	112	I301 P302 P303 S304 H308 T309 L310	I301-M306 HydrophobicContact CG2-CB 3.97Å; I301-M306 HydrophobicContact CG2-CG 4.33Å; P302-M306 PolarHBondContact O-N 2.85Å; P303-M306 WeakPolarHBondContact O-CB 3.38Å; P303-M306 PolarHBondContact O-N 3.27Å; P303-M306 VanDerWaalsContact O-N 3.16Å; S304-M306 VanDerWaalsContact C-N 3.3Å; S304-M306 PolarHBondContact O-N 2.94Å; M306-H308 VanDerWaalsContact C-N 3.33Å; M306-H308 PolarHBondContact O-N 2.88Å; M306-T309 CarbonylContact O-C 3.55Å; M306-T309 WeakPolarHBondContact O-CA 3.12Å; M306-T309 PolarHBondContact O-N 2.93Å; M306-T309 PolarHBondContact O-OG1 2.97Å; M306-L310 WeakPolarHBondContact O-CG 3.3Å; M306-L310 PolarHBondContact O-N 3.39Å; M306-L310 VanDerWaalsContact O-N 3.14Å
307	E	66.3	Low	75.4	Confident	125 Å²	125	63.9 Å²	63.9	58%	0.584	37%	0.365	S	S	*	.	H	α-helix	trans	-61.3	-38	175.1	-172.8	165.7	-174.7	0	0	112.8	P303 M305 T309 L310	P303-E307 PolarHBondContact O-N 3.17Å; M305-E307 VanDerWaalsContact C-N 3.3Å; M305-E307 PolarHBondContact O-N 3.41Å; E307-T309 PolarHBondContact O-N 3.48Å; E307-L310 PolarHBondContact O-N 2.96Å; E307-L310 VanDerWaalsContact O-N 3.1Å
308	H	62.6	Low	76	Confident	108 Å²	108	60.5 Å²	60.5	50%	0.5	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-31.4	172.2	-61.2	-75	0	0	0	112.2	M305 M306 K354 Y452	M305-H308 PolarHBondContact O-N 3.42Å; M306-H308 VanDerWaalsContact C-N 3.33Å; M306-H308 PolarHBondContact O-N 2.88Å; H308-K354 VanDerWaalsContact O-CE 3.29Å; H308-K354 WeakPolarHBondContact O-CE 3.5Å; H308-K354 PolarHBondContact O-NZ 2.83Å; H308-Y452 AromaticContact CE1-CD2 3.81Å; H308-Y452 AromaticContact CE1-CE2 3.87Å; H308-Y452 AromaticContact NE2-CD2 3.66Å
309	T	66	Low	76.1	Confident	20 Å²	20	62.1 Å²	62.1	12%	0.123	36%	0.359	C	S	.	.	H	α-helix	trans	-82.6	-6	175.9	69.8	0	0	0	0	114.8	M306 E307 V356 P446 Y447	M306-T309 CarbonylContact O-C 3.55Å; M306-T309 WeakPolarHBondContact O-CA 3.12Å; M306-T309 PolarHBondContact O-N 2.93Å; M306-T309 PolarHBondContact O-OG1 2.97Å; E307-T309 PolarHBondContact O-N 3.48Å; T309-V356 WeakPolarHBondContact O-CG1 3.37Å; T309-P446 HydrophobicContact CG2-CB 4.11Å; T309-Y447 HydrophobicContact CG2-CE1 4.11Å
310	L	74	Confident	76.1	Confident	91 Å²	91	57.3 Å²	57.3	48%	0.476	34%	0.335	S	S	.	.	S	Bend	trans	-91.8	150.6	178	-72.6	171.9	0	0	0	112.4	M306 E307 K354	M306-L310 WeakPolarHBondContact O-CG 3.3Å; M306-L310 PolarHBondContact O-N 3.39Å; M306-L310 VanDerWaalsContact O-N 3.14Å; E307-L310 PolarHBondContact O-N 2.96Å; E307-L310 VanDerWaalsContact O-N 3.1Å; L310-K354 PolarHBondContact O-NZ 3.13Å
311	P	76.3	Confident	76.2	Confident	57 Å²	57	54.5 Å²	54.5	37%	0.37	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-67.9	147.9	172.3	31.3	-36.5	0	0	0	111.2	P404	P311-P404 HydrophobicContact CB-CB 4.08Å; P311-P404 HydrophobicContact CB-CG 3.46Å; P311-P404 VanDerWaalsContact CB-CG 3.46Å; P311-P404 HydrophobicContact CG-CG 3.79Å
312	P	79.1	Confident	76.3	Confident	20 Å²	20	52.8 Å²	52.8	13%	0.13	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-71.5	153.9	178.7	31.4	-33.2	0	0	0	111.2	N320 Q322 K354	P312-N320 PolarHBondContact O-ND2 3.19Å; P312-Q322 HydrophobicContact CB-CG 3.76Å; P312-Q322 HydrophobicContact CG-CG 3.81Å; P312-K354 HydrophobicContact CG-CB 4.34Å
313	P	80.4	Confident	76.6	Confident	87 Å²	87	53.6 Å²	53.6	57%	0.565	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-54.6	146.1	176.3	-26	34.9	0	0	0	112.7	S315 N320 Q322	P313-S315 PolarHBondContact O-N 3.41Å; P313-N320 PolarHBondContact O-OD1 3.35Å; P313-Q322 PolarHBondContact O-NE2 2.92Å
314	P	80	Confident	76.5	Confident	99 Å²	99	56.1 Å²	56.1	64%	0.643	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-58.7	121.7	-175.3	23	-33.5	0	0	0	112	N320	P314-N320 VanDerWaalsContact CA-OD1 3.29Å; P314-N320 WeakPolarHBondContact CA-OD1 3.17Å
315	S	78.7	Confident	76.7	Confident	19 Å²	19	58.2 Å²	58.2	13%	0.133	32%	0.319	C	S	.	.			trans	-89	-23.2	177.8	62.4	0	0	0	0	114.2	P313 L317 N320 A321	P313-S315 PolarHBondContact O-N 3.41Å; S315-L317 VanDerWaalsContact C-N 3.29Å; S315-L317 PolarHBondContact OG-N 3.46Å; S315-L317 VanDerWaalsContact OG-N 3.15Å; S315-N320 PolarHBondContact N-OD1 2.9Å; S315-N320 PolarHBondContact OG-OD1 3.45Å; S315-A321 WeakPolarHBondContact CB-O 3.37Å; S315-A321 PolarHBondContact OG-O 3.09Å
316	G	76.2	Confident	76.7	Confident	63 Å²	63	60.2 Å²	60.2	65%	0.649	33%	0.326	S	S	*	.	S	Bend	trans	82.3	-2.1	-168.5	0	0	0	0	0	114.6
317	L	82.2	Confident	76.5	Confident	19 Å²	19	58.4 Å²	58.4	10%	0.099	32%	0.318	C	S	.	.	S	Bend	trans	-84.4	153.9	170.6	-65.9	177.4	0	0	0	110.8	S315 N320 A321 F344 T347 A351	S315-L317 VanDerWaalsContact C-N 3.29Å; S315-L317 PolarHBondContact OG-N 3.46Å; S315-L317 VanDerWaalsContact OG-N 3.15Å; L317-N320 WeakPolarHBondContact O-CA 3.45Å; L317-N320 PolarHBondContact O-N 3.31Å; L317-N320 VanDerWaalsContact O-N 3.09Å; L317-A321 HydrophobicContact CB-CB 4.08Å; L317-A321 WeakPolarHBondContact CD1-O 3.22Å; L317-F344 HydrophobicContact CD2-CE2 4.12Å; L317-T347 HydrophobicContact CD1-CG2 4.39Å; L317-A351 HydrophobicContact CD1-CB 4Å
318	P	82.6	Confident	76.5	Confident	54 Å²	54	61.2 Å²	61.2	35%	0.351	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-57.2	146.9	178.3	25.4	-36.3	0	0	0	111.8	N320 A321 L348	P318-N320 PolarHBondContact O-N 3.11Å; P318-A321 WeakPolarHBondContact O-CB 3.29Å; P318-A321 PolarHBondContact O-N 3.06Å; P318-A321 VanDerWaalsContact O-N 3.14Å; P318-L348 HydrophobicContact CG-CD1 3.52Å
319	F	83.8	Confident	76.8	Confident	53 Å²	53	61.1 Å²	61.1	23%	0.232	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	53.2	22.3	-173.3	-53	-68.5	0	0	0	114.4	A321 V353 H406 V407 R410 F433 W439	F319-A321 PolarHBondContact O-N 3.39Å; F319-V353 HydrophobicContact CB-CG1 4.06Å; F319-V353 HydrophobicContact CB-CG2 3.87Å; F319-H406 AromaticContact CE1-CD2 3.93Å; F319-H406 AromaticContact CE1-NE2 3.97Å; F319-V407 HydrophobicContact CB-CG2 4.08Å; F319-V407 HydrophobicContact CD1-CG2 4.46Å; F319-R410 HydrophobicContact CE1-CG 4.43Å; F319-F433 HydrophobicContact CE2-CE2 4.49Å; F319-W439 HydrophobicContact CB-CH2 4.19Å; F319-W439 HydrophobicContact CB-CZ2 4.24Å; F319-W439 AromaticContact CD1-CH2 3.93Å; F319-W439 HydrophobicContact CD1-CH2 3.93Å; F319-W439 HydrophobicContact CD1-CZ2 4.23Å; F319-W439 HydrophobicContact CD2-CH2 4.24Å; F319-W439 AromaticContact CD2-CZ2 3.71Å; F319-W439 HydrophobicContact CD2-CZ2 3.71Å; F319-W439 HydrophobicContact CE1-CH2 4.38Å; F319-W439 HydrophobicContact CE2-CZ2 4.09Å; F319-W439 AromaticContact CG-CH2 3.85Å; F319-W439 HydrophobicContact CG-CH2 3.85Å; F319-W439 AromaticContact CG-CZ2 3.79Å; F319-W439 HydrophobicContact CG-CZ2 3.79Å; F319-W439 HydrophobicContact CZ-CZ2 4.5Å
320	N	85	Confident	76.7	Confident	19 Å²	19	64 Å²	64	10%	0.102	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	55.7	34.6	-175	-166.3	22.9	0	0	0	113.7	P312 P313 P314 S315 L317 P318 Q322	P312-N320 PolarHBondContact O-ND2 3.19Å; P313-N320 PolarHBondContact O-OD1 3.35Å; P314-N320 VanDerWaalsContact CA-OD1 3.29Å; P314-N320 WeakPolarHBondContact CA-OD1 3.17Å; S315-N320 PolarHBondContact N-OD1 2.9Å; S315-N320 PolarHBondContact OG-OD1 3.45Å; L317-N320 WeakPolarHBondContact O-CA 3.45Å; L317-N320 PolarHBondContact O-N 3.31Å; L317-N320 VanDerWaalsContact O-N 3.09Å; P318-N320 PolarHBondContact O-N 3.11Å; N320-Q322 PolarHBondContact O-N 2.95Å; N320-Q322 PolarHBondContact O-NE2 2.87Å; N320-Q322 VanDerWaalsContact O-NE2 3.07Å; N320-Q322 PolarHBondContact OD1-NE2 2.92Å
321	A	86.4	Confident	76.3	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.371	C	S	.	.			trans	-57.2	135.5	177.3	0	0	0	0	0	111.3	S315 L317 P318 F319 A351 I352 V353	S315-A321 WeakPolarHBondContact CB-O 3.37Å; S315-A321 PolarHBondContact OG-O 3.09Å; L317-A321 HydrophobicContact CB-CB 4.08Å; L317-A321 WeakPolarHBondContact CD1-O 3.22Å; P318-A321 WeakPolarHBondContact O-CB 3.29Å; P318-A321 PolarHBondContact O-N 3.06Å; P318-A321 VanDerWaalsContact O-N 3.14Å; F319-A321 PolarHBondContact O-N 3.39Å; A321-A351 HydrophobicContact CB-CB 3.85Å; A321-I352 WeakPolarHBondContact CA-O 3.43Å; A321-V353 HydrophobicContact CB-CG2 3.67Å
322	Q	84.6	Confident	75.9	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.019	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-106.5	140.8	-177.5	-60.7	-62.1	-44	0	0	110.9	P312 P313 N320 L327 A351 I352	P312-Q322 HydrophobicContact CB-CG 3.76Å; P312-Q322 HydrophobicContact CG-CG 3.81Å; P313-Q322 PolarHBondContact O-NE2 2.92Å; N320-Q322 PolarHBondContact O-N 2.95Å; N320-Q322 PolarHBondContact O-NE2 2.87Å; N320-Q322 VanDerWaalsContact O-NE2 3.07Å; N320-Q322 PolarHBondContact OD1-NE2 2.92Å; Q322-L327 HydrophobicContact CB-CD1 4.26Å; Q322-L327 HydrophobicContact CB-CD2 3.84Å; Q322-L327 HydrophobicContact CB-CG 3.74Å; Q322-L327 HydrophobicContact CG-CD2 3.88Å; Q322-L327 HydrophobicContact CG-CG 4.36Å; Q322-A351 CarbonylContact O-C 3.59Å; Q322-A351 WeakPolarHBondContact O-CA 3.48Å; Q322-I352 PolarHBondContact N-O 3.43Å; Q322-I352 PolarHBondContact O-N 2.7Å
323	P	83.2	Confident	75	Confident	21 Å²	21	70.3 Å²	70.3	14%	0.136	39%	0.39	C	S	.	.			trans	-56.3	145.8	165.8	-23.9	34.7	0	0	0	111.7	E325 R326 L327 I335	P323-E325 VanDerWaalsContact C-N 3.3Å; P323-E325 PolarHBondContact O-N 3.25Å; P323-R326 PolarHBondContact O-N 2.87Å; P323-L327 PolarHBondContact O-N 2.79Å; P323-I335 HydrophobicContact CB-CD1 3.78Å; P323-I335 HydrophobicContact CG-CD1 3.93Å; P323-I335 HydrophobicContact CG-CG1 4.47Å
324	R	74.7	Confident	74	Confident	147 Å²	147	71.3 Å²	71.3	56%	0.555	39%	0.388	S	S	*	.	H	α-helix	trans	-59.4	-37.3	-173.9	-107.2	179.2	166.1	-176.4	-5.1	113	R326 I352	R324-R326 VanDerWaalsContact C-N 3.29Å; R324-R326 PolarHBondContact O-N 2.92Å; R324-I352 HydrophobicContact CG-CD1 3.5Å; R324-I352 VanDerWaalsContact CG-CD1 3.5Å; R324-I352 HydrophobicContact CG-CG1 4.17Å
325	E	69.6	Low	73.2	Confident	120 Å²	120	71 Å²	71	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-65.3	-33.7	176.8	-55.9	82.9	-178.3	0	0	112.1	P323 K328 N329	P323-E325 VanDerWaalsContact C-N 3.3Å; P323-E325 PolarHBondContact O-N 3.25Å; E325-K328 PolarHBondContact O-N 2.91Å; E325-N329 PolarHBondContact O-N 3.07Å
326	R	68.6	Low	72.4	Confident	51 Å²	51	74.5 Å²	74.5	19%	0.192	40%	0.402	C	S	.	.	H	α-helix	trans	-78.8	-20.2	-173.7	-151.6	176.4	-158.4	-150.4	1.8	113.8	P323 R324 N329 A332	P323-R326 PolarHBondContact O-N 2.87Å; R324-R326 VanDerWaalsContact C-N 3.29Å; R324-R326 PolarHBondContact O-N 2.92Å; R326-N329 CarbonylContact O-C 3.47Å; R326-A332 HydrophobicContact CG-CB 4.32Å; R326-A332 PolarHBondContact NE-O 3.4Å
327	L	66.8	Low	71.6	Confident	50 Å²	50	76.9 Å²	76.9	26%	0.262	41%	0.406	S	S	.	.	H	α-helix	trans	-78.5	-19.1	168.3	-71.9	-178.3	0	0	0	113.4	Q322 P323 I352	Q322-L327 HydrophobicContact CB-CD1 4.26Å; Q322-L327 HydrophobicContact CB-CD2 3.84Å; Q322-L327 HydrophobicContact CB-CG 3.74Å; Q322-L327 HydrophobicContact CG-CD2 3.88Å; Q322-L327 HydrophobicContact CG-CG 4.36Å; P323-L327 PolarHBondContact O-N 2.79Å; L327-I352 HydrophobicContact CD1-CB 3.57Å; L327-I352 HydrophobicContact CD1-CD1 4.07Å; L327-I352 HydrophobicContact CD1-CG1 4.4Å; L327-I352 HydrophobicContact CD1-CG2 3.56Å
328	K	66.3	Low	70.7	Confident	184 Å²	184	78 Å²	78	80%	0.8	41%	0.414	S	S	*	.	H	α-helix	trans	-85	-47.1	167.1	-67.5	-163.1	172.8	-162	0	110.8	E325	E325-K328 PolarHBondContact O-N 2.91Å
329	N	68.3	Low	70.2	Confident	105 Å²	105	84.4 Å²	84.4	56%	0.561	44%	0.437	S	S	*	.			trans	-119.6	99.3	-175.4	-69.7	-16.9	0	0	0	111.3	E325 R326 N331 A332	E325-N329 PolarHBondContact O-N 3.07Å; R326-N329 CarbonylContact O-C 3.47Å; N329-N331 PolarHBondContact O-N 3.49Å; N329-N331 VanDerWaalsContact O-N 3.17Å; N329-A332 HydrophobicContact CB-CB 4.11Å; N329-A332 WeakPolarHBondContact O-CB 3.5Å; N329-A332 PolarHBondContact O-N 3.44Å
330	P	64.3	Low	70	Confident	82 Å²	82	86.4 Å²	86.4	53%	0.532	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.5	177.9	-27.3	35.4	0	0	0	113.7	A332	P330-A332 VanDerWaalsContact C-N 3.25Å; P330-A332 PolarHBondContact O-N 2.92Å
331	N	64.7	Low	69.7	Low	166 Å²	166	93.1 Å²	93.1	89%	0.888	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	0.7	177.5	-69.6	-36.1	0	0	0	114.4	N329	N329-N331 PolarHBondContact O-N 3.49Å; N329-N331 VanDerWaalsContact O-N 3.17Å
332	A	68.3	Low	69.4	Low	18 Å²	18	100.8 Å²	100.8	15%	0.149	51%	0.514	C	S	.	.	S	Bend	trans	-63.6	139.4	177.1	0	0	0	0	0	111.1	R326 N329 P330	R326-A332 HydrophobicContact CG-CB 4.32Å; R326-A332 PolarHBondContact NE-O 3.4Å; N329-A332 HydrophobicContact CB-CB 4.11Å; N329-A332 WeakPolarHBondContact O-CB 3.5Å; N329-A332 PolarHBondContact O-N 3.44Å; P330-A332 VanDerWaalsContact C-N 3.25Å; P330-A332 PolarHBondContact O-N 2.92Å
333	P	60.6	Low	69.1	Low	116 Å²	116	104.5 Å²	104.5	75%	0.753	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-61.6	146.5	-179.4	26.9	-35	0	0	0	110.7	I335	P333-I335 PolarHBondContact O-N 2.67Å
334	M	59.8	Low	69	Low	108 Å²	108	107.3 Å²	107.3	53%	0.532	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-65.7	123.5	173.1	-70.2	-170.9	70.2	0	0	109.7
335	I	62.7	Low	69.4	Low	91 Å²	91	104.4 Å²	104.4	47%	0.467	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-56.2	128.9	164	-54.6	179.2	0	0	0	106.5	P323 P333	P323-I335 HydrophobicContact CB-CD1 3.78Å; P323-I335 HydrophobicContact CG-CD1 3.93Å; P323-I335 HydrophobicContact CG-CG1 4.47Å; P333-I335 PolarHBondContact O-N 2.67Å
336	P	61.3	Low	70.1	Confident	94 Å²	94	105.2 Å²	105.2	61%	0.61	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-60	150.9	177.7	26.2	-34.8	0	0	0	110.1
337	P	60.9	Low	70.8	Confident	113 Å²	113	104.6 Å²	104.6	73%	0.734	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-55.1	128.9	177.2	22.9	-33	0	0	0	109.6
338	P	63.1	Low	71.6	Confident	41 Å²	41	103.7 Å²	103.7	27%	0.266	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-61.4	140.7	-175.9	25.3	-34.4	0	0	0	110	E343 F344	P338-E343 HydrophobicContact CB-CB 3.69Å; P338-F344 HydrophobicContact CB-CB 4.29Å; P338-F344 HydrophobicContact CG-CB 3.75Å; P338-F344 HydrophobicContact CG-CD2 3.76Å; P338-F344 HydrophobicContact CG-CG 4.24Å
339	K	70.4	Confident	72.5	Confident	189 Å²	189	96 Å²	96	82%	0.822	50%	0.503	S	S	*	.	S	Bend	trans	-92.3	-28.6	-171.4	-66.1	179.6	-178.8	176.6	0	111.9	E343	K339-E343 PolarHBondContact N-OE2 2.64Å
340	N	79.6	Confident	73.3	Confident	95 Å²	95	96.1 Å²	96.1	51%	0.508	50%	0.5	S	S	.	.	S	Bend	trans	-106.3	149.4	-179	-61.3	-49.6	0	0	0	111.2	E342 E343 F344	N340-E342 VanDerWaalsContact C-N 3.32Å; N340-E342 PolarHBondContact O-N 3.2Å; N340-E343 HydrophobicContact CB-CB 4.32Å; N340-E343 HydrophobicContact CB-CG 3.97Å; N340-E343 PolarHBondContact N-OE2 2.72Å; N340-E343 VanDerWaalsContact N-OE2 3.13Å; N340-E343 PolarHBondContact ND2-OE1 2.92Å; N340-E343 WeakPolarHBondContact O-CB 3.19Å; N340-E343 PolarHBondContact O-N 3.17Å; N340-F344 PolarHBondContact O-N 3.43Å
341	K	79.4	Confident	74.5	Confident	160 Å²	160	92.3 Å²	92.3	70%	0.696	48%	0.475	S	S	*	.	H	α-helix	trans	-59.8	-42.2	179.6	-179	179.8	167.6	-173.7	0	112.1	F344 E345	K341-F344 WeakPolarHBondContact O-CB 3.48Å; K341-F344 PolarHBondContact O-N 2.79Å; K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 IonicContact NZ-OE1 2.87Å; K341-E345 PolarHBondContact O-N 3.36Å
342	E	79.8	Confident	75.6	Confident	162 Å²	162	84.5 Å²	84.5	76%	0.757	43%	0.434	S	S	*	.	H	α-helix	trans	-66	-36.3	177.6	-63.7	174.5	-171.8	0	0	112.6	N340 K346	N340-E342 VanDerWaalsContact C-N 3.32Å; N340-E342 PolarHBondContact O-N 3.2Å; E342-K346 WeakPolarHBondContact O-CB 3.44Å; E342-K346 PolarHBondContact O-N 2.84Å
343	E	79	Confident	76.6	Confident	81 Å²	81	83.7 Å²	83.7	38%	0.379	43%	0.426	S	S	.	.	H	α-helix	trans	-63.1	-44.6	171.6	-69.6	165.5	-170.1	0	0	110.7	P338 K339 N340 K346 T347	P338-E343 HydrophobicContact CB-CB 3.69Å; K339-E343 PolarHBondContact N-OE2 2.64Å; N340-E343 HydrophobicContact CB-CB 4.32Å; N340-E343 HydrophobicContact CB-CG 3.97Å; N340-E343 PolarHBondContact N-OE2 2.72Å; N340-E343 VanDerWaalsContact N-OE2 3.13Å; N340-E343 PolarHBondContact ND2-OE1 2.92Å; N340-E343 WeakPolarHBondContact O-CB 3.19Å; N340-E343 PolarHBondContact O-N 3.17Å; E343-K346 PolarHBondContact O-N 3.16Å; E343-T347 WeakPolarHBondContact O-CB 3.27Å; E343-T347 PolarHBondContact O-N 3.25Å; E343-T347 PolarHBondContact O-OG1 2.64Å; E343-T347 VanDerWaalsContact O-OG1 3.1Å
344	F	81.3	Confident	78	Confident	81 Å²	81	80.6 Å²	80.6	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-60.8	-48.1	177.3	179.3	-91.8	0	0	0	111.8	L317 P338 N340 K341 T347 L348	L317-F344 HydrophobicContact CD2-CE2 4.12Å; P338-F344 HydrophobicContact CB-CB 4.29Å; P338-F344 HydrophobicContact CG-CB 3.75Å; P338-F344 HydrophobicContact CG-CD2 3.76Å; P338-F344 HydrophobicContact CG-CG 4.24Å; N340-F344 PolarHBondContact O-N 3.43Å; K341-F344 WeakPolarHBondContact O-CB 3.48Å; K341-F344 PolarHBondContact O-N 2.79Å; F344-T347 PolarHBondContact O-N 3.15Å; F344-L348 HydrophobicContact CE1-CD2 4.1Å; F344-L348 WeakPolarHBondContact O-CB 3.5Å; F344-L348 PolarHBondContact O-N 3.2Å
345	E	82.7	Confident	79.4	Confident	86 Å²	86	75.6 Å²	75.6	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-64.7	-40.8	178	-70.9	177.6	-162.4	0	0	111.9	K341 L348 S349	K341-E345 WeakPolarHBondContact CE-OE1 3.41Å; K341-E345 IonicContact NZ-OE1 2.87Å; K341-E345 PolarHBondContact O-N 3.36Å; E345-L348 PolarHBondContact O-N 2.97Å; E345-S349 WeakPolarHBondContact O-CB 3.3Å; E345-S349 PolarHBondContact O-N 3.47Å
346	K	83.7	Confident	80.5	Confident	136 Å²	136	72 Å²	72	59%	0.591	36%	0.359	S	S	*	.	H	α-helix	trans	-62.4	-50.7	175.2	-173.6	173.8	-177.7	175.3	0	111.7	E342 E343 L348 S349 Q350	E342-K346 WeakPolarHBondContact O-CB 3.44Å; E342-K346 PolarHBondContact O-N 2.84Å; E343-K346 PolarHBondContact O-N 3.16Å; K346-L348 PolarHBondContact O-N 2.97Å; K346-S349 PolarHBondContact O-N 3.07Å; K346-S349 PolarHBondContact O-OG 3.43Å; K346-Q350 WeakPolarHBondContact O-CG 3.28Å; K346-Q350 PolarHBondContact O-N 3.14Å
347	T	82.8	Confident	81.8	Confident	38 Å²	38	69.7 Å²	69.7	23%	0.233	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-43.8	175.8	-65.2	0	0	0	0	111.5	L317 E343 F344 S349 Q350 A351	L317-T347 HydrophobicContact CD1-CG2 4.39Å; E343-T347 WeakPolarHBondContact O-CB 3.27Å; E343-T347 PolarHBondContact O-N 3.25Å; E343-T347 PolarHBondContact O-OG1 2.64Å; E343-T347 VanDerWaalsContact O-OG1 3.1Å; F344-T347 PolarHBondContact O-N 3.15Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 3.32Å; T347-Q350 PolarHBondContact O-N 2.76Å; T347-Q350 VanDerWaalsContact O-N 3.16Å; T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.09Å
348	L	84.6	Confident	83	Confident	31 Å²	31	65.2 Å²	65.2	16%	0.162	31%	0.312	C	S	.	.	H	α-helix	trans	-60.5	-42.9	178.4	-176.7	69.5	0	0	0	111.7	P318 F344 E345 K346 Q350 A351 S437	P318-L348 HydrophobicContact CG-CD1 3.52Å; F344-L348 HydrophobicContact CE1-CD2 4.1Å; F344-L348 WeakPolarHBondContact O-CB 3.5Å; F344-L348 PolarHBondContact O-N 3.2Å; E345-L348 PolarHBondContact O-N 2.97Å; K346-L348 PolarHBondContact O-N 2.97Å; L348-Q350 PolarHBondContact O-N 2.97Å; L348-A351 PolarHBondContact O-N 2.98Å; L348-S437 VanDerWaalsContact CD1-OG 3.27Å; L348-S437 WeakPolarHBondContact CD1-OG 3.37Å; L348-S437 WeakPolarHBondContact O-CA 3.48Å; L348-S437 WeakPolarHBondContact O-CB 3.4Å; L348-S437 PolarHBondContact O-N 3.35Å; L348-S437 PolarHBondContact O-OG 2.82Å
349	S	85.8	Confident	83.7	Confident	23 Å²	23	68.7 Å²	68.7	16%	0.161	33%	0.333	C	S	.	.	H	α-helix	trans	-65.9	-22.5	178.6	80.6	0	0	0	0	113.9	E345 K346 T347 R431 N435	E345-S349 WeakPolarHBondContact O-CB 3.3Å; E345-S349 PolarHBondContact O-N 3.47Å; K346-S349 PolarHBondContact O-N 3.07Å; K346-S349 PolarHBondContact O-OG 3.43Å; T347-S349 VanDerWaalsContact C-N 3.34Å; T347-S349 PolarHBondContact O-N 3.32Å; S349-R431 PolarHBondContact O-NH2 3.26Å; S349-N435 WeakPolarHBondContact CB-O 3.48Å
350	Q	85.3	Confident	84.3	Confident	108 Å²	108	65.8 Å²	65.8	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-99.2	-19	-179.3	-67.5	178.4	-10	0	0	113.2	K346 T347 L348	K346-Q350 WeakPolarHBondContact O-CG 3.28Å; K346-Q350 PolarHBondContact O-N 3.14Å; T347-Q350 PolarHBondContact O-N 2.76Å; T347-Q350 VanDerWaalsContact O-N 3.16Å; L348-Q350 PolarHBondContact O-N 2.97Å
351	A	88.4	Confident	84.4	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.008	33%	0.334	C	S	.	.			trans	-70.7	155.3	176.5	0	0	0	0	0	112.4	L317 A321 Q322 T347 L348 S437 L438	L317-A351 HydrophobicContact CD1-CB 4Å; A321-A351 HydrophobicContact CB-CB 3.85Å; Q322-A351 CarbonylContact O-C 3.59Å; Q322-A351 WeakPolarHBondContact O-CA 3.48Å; T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.09Å; L348-A351 PolarHBondContact O-N 2.98Å; A351-S437 WeakPolarHBondContact O-CA 3.41Å; A351-S437 VanDerWaalsContact O-CB 3.3Å; A351-S437 WeakPolarHBondContact O-CB 3.34Å; A351-L438 PolarHBondContact O-N 2.85Å
352	I	87.9	Confident	84.7	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.7	-177.6	-64.3	169.4	0	0	0	110.8	A321 Q322 R324 L327 K354 L438 R440	A321-I352 WeakPolarHBondContact CA-O 3.43Å; Q322-I352 PolarHBondContact N-O 3.43Å; Q322-I352 PolarHBondContact O-N 2.7Å; R324-I352 HydrophobicContact CG-CD1 3.5Å; R324-I352 VanDerWaalsContact CG-CD1 3.5Å; R324-I352 HydrophobicContact CG-CG1 4.17Å; L327-I352 HydrophobicContact CD1-CB 3.57Å; L327-I352 HydrophobicContact CD1-CD1 4.07Å; L327-I352 HydrophobicContact CD1-CG1 4.4Å; L327-I352 HydrophobicContact CD1-CG2 3.56Å; I352-K354 PolarHBondContact O-N 2.91Å; I352-L438 CarbonylContact C-O 3.46Å; I352-L438 WeakPolarHBondContact CA-O 3.15Å; I352-L438 HydrophobicContact CG1-CB 4Å; I352-L438 HydrophobicContact CG1-CD1 4.4Å; I352-R440 HydrophobicContact CG2-CB 3.87Å
353	V	90.3	Very high	85.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	103.8	168.9	176.9	0	0	0	0	108.5	F319 A321 V355 V407 L438 W439 R440	F319-V353 HydrophobicContact CB-CG1 4.06Å; F319-V353 HydrophobicContact CB-CG2 3.87Å; A321-V353 HydrophobicContact CB-CG2 3.67Å; V353-V355 PolarHBondContact O-N 3.29Å; V353-V407 HydrophobicContact CG1-CG1 3.53Å; V353-L438 PolarHBondContact N-O 2.94Å; V353-W439 HydrophobicContact CB-CD2 4.09Å; V353-W439 HydrophobicContact CB-CE3 4.31Å; V353-W439 HydrophobicContact CB-CG 4.34Å; V353-W439 HydrophobicContact CG1-CD2 4Å; V353-W439 HydrophobicContact CG1-CE3 3.74Å; V353-W439 HydrophobicContact CG1-CH2 4.2Å; V353-W439 HydrophobicContact CG1-CZ2 4.43Å; V353-W439 HydrophobicContact CG1-CZ3 3.85Å; V353-R440 PolarHBondContact O-N 3Å
354	K	88.4	Confident	85.6	Confident	51 Å²	51	61.2 Å²	61.2	22%	0.222	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	106.7	171.8	-177.9	-168.7	173.6	-165.8	0	109.2	H308 L310 P312 I352 V356	H308-K354 VanDerWaalsContact O-CE 3.29Å; H308-K354 WeakPolarHBondContact O-CE 3.5Å; H308-K354 PolarHBondContact O-NZ 2.83Å; L310-K354 PolarHBondContact O-NZ 3.13Å; P312-K354 HydrophobicContact CG-CB 4.34Å; I352-K354 PolarHBondContact O-N 2.91Å; K354-V356 HydrophobicContact CD-CG2 4.19Å; K354-V356 HydrophobicContact CG-CG2 4.19Å
355	V	89.4	Confident	85.9	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	30%	0.303	C	S	.	.			trans	-76.4	132.9	173.7	-175.4	0	0	0	0	109.6	V353 V407 Y408 W411 W439 R440 P442	V353-V355 PolarHBondContact O-N 3.29Å; V355-V407 HydrophobicContact CG2-CG1 4.08Å; V355-Y408 HydrophobicContact CG1-CD2 4.08Å; V355-W411 HydrophobicContact CB-CG 4.37Å; V355-W411 HydrophobicContact CG1-CB 4.04Å; V355-W411 HydrophobicContact CG1-CD2 3.83Å; V355-W411 HydrophobicContact CG1-CE3 3.78Å; V355-W411 HydrophobicContact CG1-CG 3.92Å; V355-W411 HydrophobicContact CG2-CB 3.87Å; V355-W411 HydrophobicContact CG2-CD2 4.4Å; V355-W411 HydrophobicContact CG2-CG 3.77Å; V355-W439 HydrophobicContact CG2-CE3 3.72Å; V355-W439 HydrophobicContact CG2-CZ3 4.24Å; V355-R440 VanDerWaalsContact CB-O 3.28Å; V355-R440 WeakPolarHBondContact CB-O 3.37Å; V355-R440 WeakPolarHBondContact CG2-O 3.39Å; V355-R440 PolarHBondContact N-O 2.84Å; V355-P442 HydrophobicContact CG1-CG 4.33Å
356	V	87.1	Confident	86.3	Confident	15 Å²	15	58.2 Å²	58.2	9%	0.091	29%	0.293	C	S	.	.			trans	-126.2	136.5	-179.2	172.4	0	0	0	0	109	T309 K354 P358	T309-V356 WeakPolarHBondContact O-CG1 3.37Å; K354-V356 HydrophobicContact CD-CG2 4.19Å; K354-V356 HydrophobicContact CG-CG2 4.19Å; V356-P358 WeakPolarHBondContact O-CD 3.3Å
357	I	87	Confident	86.8	Confident	45 Å²	45	51.8 Å²	51.8	23%	0.231	27%	0.265	C	S	.	.			trans	-76.3	126.3	178.6	-49.3	-176.9	0	0	0	109	T359 L364 Y408 W425 P442	I357-T359 PolarHBondContact O-N 3.49Å; I357-L364 HydrophobicContact CG2-CD1 3.95Å; I357-L364 HydrophobicContact CG2-CD2 4.21Å; I357-Y408 HydrophobicContact CB-CE2 4.21Å; I357-Y408 HydrophobicContact CG1-CD2 4.45Å; I357-Y408 HydrophobicContact CG1-CE2 3.97Å; I357-Y408 HydrophobicContact CG2-CE2 4.03Å; I357-W425 HydrophobicContact CD1-CZ2 4.34Å; I357-P442 HydrophobicContact CD1-CB 4.02Å; I357-P442 HydrophobicContact CD1-CG 4.23Å; I357-P442 HydrophobicContact CG1-CB 3.62Å; I357-P442 HydrophobicContact CG1-CG 3.85Å
358	P	86.4	Confident	87.2	Confident	19 Å²	19	53.7 Å²	53.7	12%	0.123	27%	0.271	C	S	.	.			trans	-55.1	125.4	172.7	-28.1	35.3	0	0	0	112.3	V356 E360 L364 I367 Y408	V356-P358 WeakPolarHBondContact O-CD 3.3Å; P358-E360 VanDerWaalsContact C-N 3.34Å; P358-L364 HydrophobicContact CB-CD1 4.48Å; P358-L364 HydrophobicContact CG-CD1 4.44Å; P358-I367 HydrophobicContact CG-CD1 4.04Å; P358-Y408 HydrophobicContact CG-CD1 3.95Å; P358-Y408 HydrophobicContact CG-CG 4.06Å
359	T	78.6	Confident	87.6	Confident	115 Å²	115	58 Å²	58	71%	0.706	29%	0.285	S	S	*	.	S	Bend	trans	-73.9	-24.7	179.2	49.5	0	0	0	0	113	I357 R361	I357-T359 PolarHBondContact O-N 3.49Å; T359-R361 PolarHBondContact O-N 3Å
360	E	83.4	Confident	87.9	Confident	127 Å²	127	57.2 Å²	57.2	59%	0.593	28%	0.279	S	S	*	.			trans	-73.9	104.6	176.1	-72.9	-177.5	-156.1	0	0	111.5	P358 N362 L363 L364	P358-E360 VanDerWaalsContact C-N 3.34Å; E360-N362 PolarHBondContact O-N 3.44Å; E360-N362 VanDerWaalsContact O-N 3.16Å; E360-L363 HydrophobicContact CB-CB 3.88Å; E360-L363 PolarHBondContact O-N 2.96Å; E360-L363 VanDerWaalsContact O-N 3.16Å; E360-L364 WeakPolarHBondContact O-CB 3.47Å; E360-L364 PolarHBondContact O-N 3.25Å
361	R	80.5	Confident	88.2	Confident	201 Å²	201	52.2 Å²	52.2	76%	0.758	26%	0.256	S	S	*	.	H	α-helix	trans	-51.8	-40.5	-179.9	-174.4	178.4	179.9	-177.2	0.9	113.6	T359 L364 S365	T359-R361 PolarHBondContact O-N 3Å; R361-L364 PolarHBondContact O-N 3.47Å; R361-S365 WeakPolarHBondContact O-CB 3.15Å; R361-S365 PolarHBondContact O-N 2.65Å; R361-S365 PolarHBondContact O-OG 3.32Å
362	N	87.1	Confident	88.4	Confident	139 Å²	139	57 Å²	57	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-66.3	-46.5	-178.3	-64.3	-8.9	0	0	0	111.4	E360 S365 L366	E360-N362 PolarHBondContact O-N 3.44Å; E360-N362 VanDerWaalsContact O-N 3.16Å; N362-S365 PolarHBondContact O-N 3.2Å; N362-L366 WeakPolarHBondContact O-CB 3.5Å; N362-L366 PolarHBondContact O-N 2.78Å
363	L	89	Confident	88.6	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-42.3	175.5	178.6	60.1	0	0	0	111.2	E360 L366 I367 F397 A405	E360-L363 HydrophobicContact CB-CB 3.88Å; E360-L363 PolarHBondContact O-N 2.96Å; E360-L363 VanDerWaalsContact O-N 3.16Å; L363-L366 PolarHBondContact O-N 2.81Å; L363-I367 HydrophobicContact CD1-CD1 4.01Å; L363-I367 HydrophobicContact CD1-CG1 4.29Å; L363-I367 HydrophobicContact CG-CD1 3.87Å; L363-I367 WeakPolarHBondContact O-CB 3.31Å; L363-I367 VanDerWaalsContact O-CG1 3.26Å; L363-I367 WeakPolarHBondContact O-CG1 3.35Å; L363-I367 PolarHBondContact O-N 3.18Å; L363-F397 HydrophobicContact CD1-CD1 3.75Å; L363-F397 HydrophobicContact CD1-CE1 4.36Å; L363-F397 HydrophobicContact CD1-CG 4.48Å; L363-A405 HydrophobicContact CD2-CB 4.06Å
364	L	87.9	Confident	88.8	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.141	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-47	176.8	-175.8	64.7	0	0	0	112	I357 P358 E360 R361 I367 H368 Y408	I357-L364 HydrophobicContact CG2-CD1 3.95Å; I357-L364 HydrophobicContact CG2-CD2 4.21Å; P358-L364 HydrophobicContact CB-CD1 4.48Å; P358-L364 HydrophobicContact CG-CD1 4.44Å; E360-L364 WeakPolarHBondContact O-CB 3.47Å; E360-L364 PolarHBondContact O-N 3.25Å; R361-L364 PolarHBondContact O-N 3.47Å; L364-I367 PolarHBondContact O-N 3.31Å; L364-H368 WeakPolarHBondContact CD1-NE2 3.42Å; L364-H368 VanDerWaalsContact O-CG 3.32Å; L364-H368 PolarHBondContact O-N 3.44Å; L364-Y408 HydrophobicContact CD1-CD1 4.28Å; L364-Y408 HydrophobicContact CD1-CE1 3.5Å; L364-Y408 VanDerWaalsContact CD1-CE1 3.5Å
365	S	86.8	Confident	89	Confident	66 Å²	66	60.3 Å²	60.3	46%	0.462	30%	0.298	S	S	.	.	H	α-helix	trans	-65.7	-35.4	175.7	-66.2	0	0	0	0	112.8	R361 N362 H368 R369	R361-S365 WeakPolarHBondContact O-CB 3.15Å; R361-S365 PolarHBondContact O-N 2.65Å; R361-S365 PolarHBondContact O-OG 3.32Å; N362-S365 PolarHBondContact O-N 3.2Å; S365-H368 PolarHBondContact O-N 3.47Å; S365-R369 WeakPolarHBondContact O-CB 3.41Å; S365-R369 PolarHBondContact O-N 2.88Å
366	L	92.8	Very high	89.2	Confident	39 Å²	39	67.1 Å²	67.1	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-44.2	173.6	-177.6	60.9	0	0	0	111.7	N362 L363 R369 M370 M394 Y395 F397	N362-L366 WeakPolarHBondContact O-CB 3.5Å; N362-L366 PolarHBondContact O-N 2.78Å; L363-L366 PolarHBondContact O-N 2.81Å; L366-R369 PolarHBondContact O-N 3.16Å; L366-M370 WeakPolarHBondContact O-CB 3.48Å; L366-M370 PolarHBondContact O-N 3.44Å; L366-M394 HydrophobicContact CD2-CB 3.76Å; L366-M394 WeakPolarHBondContact CD2-O 3.48Å; L366-Y395 HydrophobicContact CD1-CE1 3.79Å; L366-Y395 HydrophobicContact CD2-CD1 4.25Å; L366-Y395 HydrophobicContact CD2-CE1 4.07Å; L366-Y395 HydrophobicContact CG-CE1 4.14Å; L366-F397 HydrophobicContact CD2-CE1 4.27Å; L366-F397 HydrophobicContact CG-CE1 4.35Å
367	I	92.6	Very high	89.4	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61	-45.9	175.5	-71.4	164.9	0	0	0	110.7	P358 L363 L364 R369 M370 I371 F397 A405 Y408 Y409	P358-I367 HydrophobicContact CG-CD1 4.04Å; L363-I367 HydrophobicContact CD1-CD1 4.01Å; L363-I367 HydrophobicContact CD1-CG1 4.29Å; L363-I367 HydrophobicContact CG-CD1 3.87Å; L363-I367 WeakPolarHBondContact O-CB 3.31Å; L363-I367 VanDerWaalsContact O-CG1 3.26Å; L363-I367 WeakPolarHBondContact O-CG1 3.35Å; L363-I367 PolarHBondContact O-N 3.18Å; L364-I367 PolarHBondContact O-N 3.31Å; I367-R369 PolarHBondContact O-N 2.97Å; I367-M370 WeakPolarHBondContact O-CB 3.37Å; I367-M370 PolarHBondContact O-N 3.14Å; I367-I371 HydrophobicContact CG2-CD1 3.87Å; I367-I371 VanDerWaalsContact O-CG1 3.27Å; I367-I371 WeakPolarHBondContact O-CG1 3.29Å; I367-I371 PolarHBondContact O-N 3.46Å; I367-F397 HydrophobicContact CD1-CD2 4.39Å; I367-F397 HydrophobicContact CD1-CG 4.29Å; I367-F397 HydrophobicContact CG1-CD1 4.02Å; I367-F397 HydrophobicContact CG1-CD2 3.89Å; I367-F397 HydrophobicContact CG1-CE1 3.89Å; I367-F397 HydrophobicContact CG1-CE2 3.76Å; I367-F397 HydrophobicContact CG1-CG 4.03Å; I367-F397 HydrophobicContact CG1-CZ 3.76Å; I367-A405 HydrophobicContact CD1-CB 4.13Å; I367-Y408 HydrophobicContact CG2-CD1 3.97Å; I367-Y408 HydrophobicContact CG2-CE1 4.13Å; I367-Y409 HydrophobicContact CG2-CD2 4.1Å
368	H	91.9	Very high	89.5	Confident	79 Å²	79	69.9 Å²	69.9	37%	0.366	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-42.5	177.2	-68.4	174.2	0	0	0	112.1	L364 S365 I371 E372 Y408	L364-H368 WeakPolarHBondContact CD1-NE2 3.42Å; L364-H368 VanDerWaalsContact O-CG 3.32Å; L364-H368 PolarHBondContact O-N 3.44Å; S365-H368 PolarHBondContact O-N 3.47Å; H368-I371 PolarHBondContact O-N 2.81Å; H368-E372 PolarHBondContact O-N 2.88Å; H368-Y408 AromaticContact NE2-CE1 3.67Å; H368-Y408 AromaticContact NE2-CZ 3.75Å; H368-Y408 PolarHBondContact NE2-OH 3.48Å
369	R	92.2	Very high	89.7	Confident	121 Å²	121	74.1 Å²	74.1	46%	0.457	37%	0.368	S	S	.	.	H	α-helix	trans	-69.7	-34.3	178.2	-169.3	59.1	173.6	179.8	6.7	112.7	S365 L366 I367 E372 F373	S365-R369 WeakPolarHBondContact O-CB 3.41Å; S365-R369 PolarHBondContact O-N 2.88Å; L366-R369 PolarHBondContact O-N 3.16Å; I367-R369 PolarHBondContact O-N 2.97Å; R369-E372 WeakPolarHBondContact CD-OE2 3.48Å; R369-E372 IonicContact CZ-OE1 2.81Å; R369-E372 IonicContact CZ-OE2 3.54Å; R369-E372 IonicContact NE-OE2 3.71Å; R369-E372 IonicContact NH1-OE1 2.77Å; R369-E372 PolarHBondContact NH1-OE1 3.03Å; R369-E372 IonicContact NH1-OE2 2.97Å; R369-E372 PolarHBondContact NH1-OE2 3.14Å; R369-F373 HydrophobicContact CG-CD2 4.19Å; R369-F373 HydrophobicContact CG-CE2 3.87Å; R369-F373 WeakPolarHBondContact O-CD2 3.25Å; R369-F373 PolarHBondContact O-N 2.96Å
370	M	92.1	Very high	90.2	Very high	7 Å²	7	76 Å²	76	3%	0.034	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-50.3	170.4	177.2	58.9	64	0	0	110.8	L366 I367 E372 F373 V374 F381 I385 Y395 F397 L398 Y409	L366-M370 WeakPolarHBondContact O-CB 3.48Å; L366-M370 PolarHBondContact O-N 3.44Å; I367-M370 WeakPolarHBondContact O-CB 3.37Å; I367-M370 PolarHBondContact O-N 3.14Å; M370-E372 VanDerWaalsContact C-N 3.34Å; M370-E372 PolarHBondContact O-N 3.31Å; M370-F373 PolarHBondContact O-N 3.34Å; M370-F373 VanDerWaalsContact O-N 3.16Å; M370-V374 HydrophobicContact CG-CG2 4.24Å; M370-V374 WeakPolarHBondContact O-CG2 3.5Å; M370-V374 PolarHBondContact O-N 3.22Å; M370-V374 HydrophobicContact SD-CG2 3.75Å; M370-F381 HydrophobicContact CE-CE1 4.5Å; M370-F381 HydrophobicContact SD-CD1 4.24Å; M370-F381 HydrophobicContact SD-CE1 3.9Å; M370-I385 HydrophobicContact CE-CB 3.94Å; M370-I385 HydrophobicContact CE-CG1 4.07Å; M370-I385 HydrophobicContact CE-CG2 3.67Å; M370-Y395 HydrophobicContact CE-CD1 3.9Å; M370-Y395 HydrophobicContact CE-CE1 3.56Å; M370-F397 HydrophobicContact CB-CZ 4.27Å; M370-F397 HydrophobicContact CG-CZ 4.27Å; M370-L398 HydrophobicContact CE-CD1 4.17Å; M370-L398 HydrophobicContact CG-CD2 4.41Å; M370-Y409 HydrophobicContact CB-CE2 4.44Å; M370-Y409 HydrophobicContact CG-CE2 3.71Å
371	I	93.6	Very high	90.6	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-43.3	179.4	-65.8	164.5	0	0	0	111.2	I367 H368 F373 V374 V375 Y409 K412 L413 I416	I367-I371 HydrophobicContact CG2-CD1 3.87Å; I367-I371 VanDerWaalsContact O-CG1 3.27Å; I367-I371 WeakPolarHBondContact O-CG1 3.29Å; I367-I371 PolarHBondContact O-N 3.46Å; H368-I371 PolarHBondContact O-N 2.81Å; I371-F373 VanDerWaalsContact C-N 3.28Å; I371-F373 PolarHBondContact O-N 2.65Å; I371-V374 PolarHBondContact O-N 3.33Å; I371-V375 HydrophobicContact CG2-CG2 3.96Å; I371-V375 WeakPolarHBondContact O-CB 3.45Å; I371-V375 WeakPolarHBondContact O-CG2 3.33Å; I371-V375 PolarHBondContact O-N 3.31Å; I371-Y409 HydrophobicContact CD1-CD2 3.95Å; I371-Y409 HydrophobicContact CD1-CE2 4.41Å; I371-Y409 HydrophobicContact CG1-CD2 3.57Å; I371-Y409 HydrophobicContact CG1-CE2 3.54Å; I371-K412 HydrophobicContact CD1-CB 3.71Å; I371-K412 HydrophobicContact CD1-CG 3.79Å; I371-L413 HydrophobicContact CG1-CB 4.25Å; I371-L413 HydrophobicContact CG2-CB 4.43Å; I371-L413 HydrophobicContact CG2-CD1 3.98Å; I371-I416 HydrophobicContact CG2-CD1 3.83Å
372	E	91.4	Very high	91.2	Very high	101 Å²	101	63.2 Å²	63.2	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-56.4	-40.7	176.7	-171.1	-169.5	154.2	0	0	112.5	H368 R369 M370 R376	H368-E372 PolarHBondContact O-N 2.88Å; R369-E372 WeakPolarHBondContact CD-OE2 3.48Å; R369-E372 IonicContact CZ-OE1 2.81Å; R369-E372 IonicContact CZ-OE2 3.54Å; R369-E372 IonicContact NE-OE2 3.71Å; R369-E372 IonicContact NH1-OE1 2.77Å; R369-E372 PolarHBondContact NH1-OE1 3.03Å; R369-E372 IonicContact NH1-OE2 2.97Å; R369-E372 PolarHBondContact NH1-OE2 3.14Å; M370-E372 VanDerWaalsContact C-N 3.34Å; M370-E372 PolarHBondContact O-N 3.31Å; E372-R376 WeakPolarHBondContact O-CB 3.24Å; E372-R376 PolarHBondContact O-N 2.94Å
373	F	93.3	Very high	91.3	Very high	54 Å²	54	58.6 Å²	58.6	24%	0.237	30%	0.299	C	S	.	.	H	α-helix	trans	-75.5	-42.3	175.8	-73.1	-60.3	0	0	0	113	R369 M370 I371 V375 R376 E377 F381	R369-F373 HydrophobicContact CG-CD2 4.19Å; R369-F373 HydrophobicContact CG-CE2 3.87Å; R369-F373 WeakPolarHBondContact O-CD2 3.25Å; R369-F373 PolarHBondContact O-N 2.96Å; M370-F373 PolarHBondContact O-N 3.34Å; M370-F373 VanDerWaalsContact O-N 3.16Å; I371-F373 VanDerWaalsContact C-N 3.28Å; I371-F373 PolarHBondContact O-N 2.65Å; F373-V375 VanDerWaalsContact C-N 3.3Å; F373-V375 PolarHBondContact O-N 3.08Å; F373-R376 PolarHBondContact O-N 3.07Å; F373-R376 VanDerWaalsContact O-N 3.07Å; F373-E377 WeakPolarHBondContact O-CB 3.28Å; F373-E377 WeakPolarHBondContact O-CG 3.45Å; F373-E377 PolarHBondContact O-N 3.15Å; F373-F381 HydrophobicContact CB-CD1 3.76Å; F373-F381 HydrophobicContact CB-CE1 3.34Å; F373-F381 HydrophobicContact CB-CE2 4.2Å; F373-F381 HydrophobicContact CB-CG 4.36Å; F373-F381 HydrophobicContact CB-CZ 3.59Å; F373-F381 HydrophobicContact CD2-CE1 4.33Å; F373-F381 HydrophobicContact CD2-CZ 4.04Å; F373-F381 HydrophobicContact CG-CE1 4.08Å; F373-F381 HydrophobicContact CG-CE2 4.44Å; F373-F381 AromaticContact CG-CZ 3.85Å; F373-F381 HydrophobicContact CG-CZ 3.85Å
374	V	94.4	Very high	91.4	Very high	9 Å²	9	62 Å²	62	6%	0.055	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-32.6	179.1	174.2	0	0	0	0	112.1	M370 I371 R376 G378 F381 E382 L413	M370-V374 HydrophobicContact CG-CG2 4.24Å; M370-V374 WeakPolarHBondContact O-CG2 3.5Å; M370-V374 PolarHBondContact O-N 3.22Å; M370-V374 HydrophobicContact SD-CG2 3.75Å; I371-V374 PolarHBondContact O-N 3.33Å; V374-R376 VanDerWaalsContact C-N 3.35Å; V374-G378 CarbonylContact O-C 3.39Å; V374-G378 WeakPolarHBondContact O-CA 3.26Å; V374-G378 PolarHBondContact O-N 3.48Å; V374-F381 HydrophobicContact CG2-CD1 3.86Å; V374-E382 HydrophobicContact CG1-CB 4.34Å; V374-E382 HydrophobicContact CG2-CB 3.87Å; V374-L413 HydrophobicContact CB-CD1 4.43Å; V374-L413 HydrophobicContact CG1-CD1 4.01Å; V374-L413 HydrophobicContact CG1-CD2 4.11Å
375	V	92.5	Very high	91.6	Very high	60 Å²	60	61.6 Å²	61.6	36%	0.364	31%	0.313	S	S	.	.	H	α-helix	trans	-71.6	-29	173	172.8	0	0	0	0	111.9	I371 F373 L413 I416 L417	I371-V375 HydrophobicContact CG2-CG2 3.96Å; I371-V375 WeakPolarHBondContact O-CB 3.45Å; I371-V375 WeakPolarHBondContact O-CG2 3.33Å; I371-V375 PolarHBondContact O-N 3.31Å; F373-V375 VanDerWaalsContact C-N 3.3Å; F373-V375 PolarHBondContact O-N 3.08Å; V375-L413 HydrophobicContact CG2-CD1 3.65Å; V375-I416 HydrophobicContact CG1-CG2 4.28Å; V375-I416 HydrophobicContact CG2-CG2 3.93Å; V375-L417 HydrophobicContact CG1-CD2 4.39Å; V375-L417 HydrophobicContact CG2-CD2 4.07Å; V375-L417 HydrophobicContact CG2-CG 4.33Å
376	R	91.8	Very high	91.7	Very high	147 Å²	147	60.3 Å²	60.3	56%	0.555	30%	0.301	S	S	*	.	H	α-helix	trans	-91.1	-38	-177	-168.3	-179.9	61.9	66.4	1.4	114.1	E372 F373 V374	E372-R376 WeakPolarHBondContact O-CB 3.24Å; E372-R376 PolarHBondContact O-N 2.94Å; F373-R376 PolarHBondContact O-N 3.07Å; F373-R376 VanDerWaalsContact O-N 3.07Å; V374-R376 VanDerWaalsContact C-N 3.35Å
377	E	92.1	Very high	91.5	Very high	98 Å²	98	64.7 Å²	64.7	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-104.1	-6.2	-176.2	-50.7	-71.5	-150.1	0	0	112.5	F373 F381	F373-E377 WeakPolarHBondContact O-CB 3.28Å; F373-E377 WeakPolarHBondContact O-CG 3.45Å; F373-E377 PolarHBondContact O-N 3.15Å; E377-F381 HydrophobicContact CB-CB 3.7Å; E377-F381 HydrophobicContact CB-CD2 4.25Å; E377-F381 HydrophobicContact CB-CG 4.17Å; E377-F381 HydrophobicContact CG-CB 4.4Å; E377-F381 HydrophobicContact CG-CD2 4.06Å; E377-F381 HydrophobicContact CG-CG 4.34Å
378	G	90.2	Very high	91.5	Very high	21 Å²	21	73.1 Å²	73.1	22%	0.216	36%	0.356	C	S	.	.			trans	78.8	-178.5	-177.6	0	0	0	0	0	115	V374 M380 F381	V374-G378 CarbonylContact O-C 3.39Å; V374-G378 WeakPolarHBondContact O-CA 3.26Å; V374-G378 PolarHBondContact O-N 3.48Å; G378-M380 PolarHBondContact O-N 3.21Å; G378-M380 VanDerWaalsContact O-N 3.16Å; G378-F381 PolarHBondContact O-N 3.26Å; G378-F381 VanDerWaalsContact O-N 3.16Å
379	P	90.7	Very high	91.4	Very high	108 Å²	108	71.5 Å²	71.5	70%	0.701	35%	0.349	S	S	*	.	H	α-helix	trans	-66.1	-17.8	-175.1	27.1	-35.5	0	0	0	113.9	F381 E382 A383	P379-F381 PolarHBondContact O-N 3.34Å; P379-E382 WeakPolarHBondContact O-CB 3.39Å; P379-E382 PolarHBondContact O-N 3.28Å; P379-E382 VanDerWaalsContact O-N 3.14Å; P379-A383 PolarHBondContact O-N 2.88Å; P379-A383 VanDerWaalsContact O-N 3.16Å
380	M	87.6	Confident	91.3	Very high	154 Å²	154	70.7 Å²	70.7	76%	0.759	35%	0.352	S	S	*	.	H	α-helix	trans	-62.6	-32	175.2	-159.5	63.1	75.1	0	0	111.8	G378 M384	G378-M380 PolarHBondContact O-N 3.21Å; G378-M380 VanDerWaalsContact O-N 3.16Å; M380-M384 WeakPolarHBondContact O-CB 3.44Å; M380-M384 PolarHBondContact O-N 3Å
381	F	92.8	Very high	91.2	Very high	39 Å²	39	77.8 Å²	77.8	17%	0.171	39%	0.39	C	S	.	.	H	α-helix	trans	-68.4	-39.2	173.5	-177.2	-87.5	0	0	0	112.1	M370 F373 V374 E377 G378 P379 A383 M384 I385	M370-F381 HydrophobicContact CE-CE1 4.5Å; M370-F381 HydrophobicContact SD-CD1 4.24Å; M370-F381 HydrophobicContact SD-CE1 3.9Å; F373-F381 HydrophobicContact CB-CD1 3.76Å; F373-F381 HydrophobicContact CB-CE1 3.34Å; F373-F381 HydrophobicContact CB-CE2 4.2Å; F373-F381 HydrophobicContact CB-CG 4.36Å; F373-F381 HydrophobicContact CB-CZ 3.59Å; F373-F381 HydrophobicContact CD2-CE1 4.33Å; F373-F381 HydrophobicContact CD2-CZ 4.04Å; F373-F381 HydrophobicContact CG-CE1 4.08Å; F373-F381 HydrophobicContact CG-CE2 4.44Å; F373-F381 AromaticContact CG-CZ 3.85Å; F373-F381 HydrophobicContact CG-CZ 3.85Å; V374-F381 HydrophobicContact CG2-CD1 3.86Å; E377-F381 HydrophobicContact CB-CB 3.7Å; E377-F381 HydrophobicContact CB-CD2 4.25Å; E377-F381 HydrophobicContact CB-CG 4.17Å; E377-F381 HydrophobicContact CG-CB 4.4Å; E377-F381 HydrophobicContact CG-CD2 4.06Å; E377-F381 HydrophobicContact CG-CG 4.34Å; G378-F381 PolarHBondContact O-N 3.26Å; G378-F381 VanDerWaalsContact O-N 3.16Å; P379-F381 PolarHBondContact O-N 3.34Å; F381-A383 PolarHBondContact O-N 2.79Å; F381-M384 PolarHBondContact O-N 2.73Å; F381-I385 HydrophobicContact CD1-CG1 4.06Å; F381-I385 HydrophobicContact CE1-CD1 4.29Å; F381-I385 HydrophobicContact CE1-CG1 3.59Å; F381-I385 HydrophobicContact CE2-CD1 4.26Å; F381-I385 HydrophobicContact CE2-CG1 4.34Å; F381-I385 HydrophobicContact CZ-CD1 3.92Å; F381-I385 HydrophobicContact CZ-CG1 3.75Å; F381-I385 WeakPolarHBondContact O-CG1 3.44Å; F381-I385 PolarHBondContact O-N 3.41Å
382	E	92.3	Very high	91	Very high	21 Å²	21	79.8 Å²	79.8	10%	0.098	40%	0.401	C	S	.	.	H	α-helix	trans	-59.1	-49.1	174.9	-171.3	-177.1	127.8	0	0	110.5	V374 P379 M384 I385 M386 L398 Y409 R410	V374-E382 HydrophobicContact CG1-CB 4.34Å; V374-E382 HydrophobicContact CG2-CB 3.87Å; P379-E382 WeakPolarHBondContact O-CB 3.39Å; P379-E382 PolarHBondContact O-N 3.28Å; P379-E382 VanDerWaalsContact O-N 3.14Å; E382-M384 VanDerWaalsContact C-N 3.34Å; E382-M384 PolarHBondContact O-N 2.77Å; E382-I385 PolarHBondContact O-N 3.1Å; E382-M386 HydrophobicContact CG-CE 3.95Å; E382-M386 HydrophobicContact CG-SD 4.35Å; E382-M386 WeakPolarHBondContact O-CB 3.45Å; E382-M386 WeakPolarHBondContact O-CG 3.34Å; E382-M386 PolarHBondContact O-N 2.8Å; E382-M386 WeakPolarHBondContact OE1-CE 3.15Å; E382-L398 HydrophobicContact CG-CD2 4.4Å; E382-Y409 VanDerWaalsContact CD-OH 3.31Å; E382-Y409 PolarHBondContact OE2-OH 2.93Å; E382-R410 IonicContact OE1-CZ 3.6Å; E382-R410 IonicContact OE1-NH1 3.61Å; E382-R410 PolarHBondContact OE1-NH1 2.95Å; E382-R410 IonicContact OE1-NH2 3.43Å; E382-R410 PolarHBondContact OE1-NH2 3.38Å; E382-R410 IonicContact OE2-CZ 2.72Å; E382-R410 IonicContact OE2-NH1 2.79Å; E382-R410 PolarHBondContact OE2-NH1 3.1Å
383	A	89.5	Confident	90.8	Very high	41 Å²	41	80.1 Å²	80.1	34%	0.339	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.3	0	0	0	0	0	112.7	P379 F381 M386 N387	P379-A383 PolarHBondContact O-N 2.88Å; P379-A383 VanDerWaalsContact O-N 3.16Å; F381-A383 PolarHBondContact O-N 2.79Å; A383-M386 PolarHBondContact O-N 3.43Å; A383-N387 PolarHBondContact O-N 3.09Å; A383-N387 PolarHBondContact O-ND2 3.47Å
384	M	90.9	Very high	90.4	Very high	107 Å²	107	83.7 Å²	83.7	53%	0.527	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.7	-179.8	-179	169.1	0	0	112	M380 F381 E382 R388	M380-M384 WeakPolarHBondContact O-CB 3.44Å; M380-M384 PolarHBondContact O-N 3Å; F381-M384 PolarHBondContact O-N 2.73Å; E382-M384 VanDerWaalsContact C-N 3.34Å; E382-M384 PolarHBondContact O-N 2.77Å; M384-R388 WeakPolarHBondContact O-CB 3.31Å; M384-R388 PolarHBondContact O-N 2.72Å; M384-R388 VanDerWaalsContact O-N 3.11Å
385	I	91.8	Very high	90.1	Very high	18 Å²	18	85.5 Å²	85.5	9%	0.092	44%	0.437	C	S	.	.	H	α-helix	trans	-73	-36.2	177.9	-54	-56	0	0	0	111.5	M370 F381 E382 N387 R388 E389 Y395 L398	M370-I385 HydrophobicContact CE-CB 3.94Å; M370-I385 HydrophobicContact CE-CG1 4.07Å; M370-I385 HydrophobicContact CE-CG2 3.67Å; F381-I385 HydrophobicContact CD1-CG1 4.06Å; F381-I385 HydrophobicContact CE1-CD1 4.29Å; F381-I385 HydrophobicContact CE1-CG1 3.59Å; F381-I385 HydrophobicContact CE2-CD1 4.26Å; F381-I385 HydrophobicContact CE2-CG1 4.34Å; F381-I385 HydrophobicContact CZ-CD1 3.92Å; F381-I385 HydrophobicContact CZ-CG1 3.75Å; F381-I385 WeakPolarHBondContact O-CG1 3.44Å; F381-I385 PolarHBondContact O-N 3.41Å; E382-I385 PolarHBondContact O-N 3.1Å; I385-N387 VanDerWaalsContact C-N 3.33Å; I385-N387 PolarHBondContact O-N 2.87Å; I385-R388 PolarHBondContact O-N 3.29Å; I385-E389 HydrophobicContact CG2-CB 4.1Å; I385-E389 HydrophobicContact CG2-CG 3.69Å; I385-E389 WeakPolarHBondContact O-CB 3.3Å; I385-E389 PolarHBondContact O-N 2.98Å; I385-Y395 HydrophobicContact CG2-CD1 4.05Å; I385-Y395 HydrophobicContact CG2-CE1 3.92Å; I385-L398 HydrophobicContact CG2-CD1 4.43Å
386	M	88.8	Confident	90	Very high	40 Å²	40	90 Å²	90	20%	0.197	45%	0.448	C	S	.	.	H	α-helix	trans	-54.8	-47.4	172.1	-79.2	178.7	171.6	0	0	112	E382 A383 I390 L398 F399	E382-M386 HydrophobicContact CG-CE 3.95Å; E382-M386 HydrophobicContact CG-SD 4.35Å; E382-M386 WeakPolarHBondContact O-CB 3.45Å; E382-M386 WeakPolarHBondContact O-CG 3.34Å; E382-M386 PolarHBondContact O-N 2.8Å; E382-M386 WeakPolarHBondContact OE1-CE 3.15Å; A383-M386 PolarHBondContact O-N 3.43Å; M386-I390 PolarHBondContact O-N 3.06Å; M386-L398 HydrophobicContact CE-CB 3.89Å; M386-L398 HydrophobicContact CE-CD2 4.44Å; M386-L398 WeakPolarHBondContact CE-O 3.26Å; M386-L398 HydrophobicContact CG-CB 4.06Å; M386-L398 HydrophobicContact CG-CD1 4.04Å; M386-F399 HydrophobicContact CB-CE1 3.82Å; M386-F399 HydrophobicContact CB-CZ 4.21Å; M386-F399 HydrophobicContact CG-CE1 3.97Å; M386-F399 HydrophobicContact CG-CZ 4.33Å; M386-F399 WeakPolarHBondContact O-CE1 3.37Å; M386-F399 VanDerWaalsContact O-CZ 3.24Å; M386-F399 WeakPolarHBondContact O-CZ 3.31Å
387	N	89.6	Confident	90	Very high	130 Å²	130	83.3 Å²	83.3	70%	0.695	42%	0.422	S	S	*	.	H	α-helix	trans	-70.1	-34.7	179.6	-70.7	-28.6	0	0	0	112.8	A383 I385	A383-N387 PolarHBondContact O-N 3.09Å; A383-N387 PolarHBondContact O-ND2 3.47Å; I385-N387 VanDerWaalsContact C-N 3.33Å; I385-N387 PolarHBondContact O-N 2.87Å
388	R	91.3	Very high	89.9	Confident	178 Å²	178	78.7 Å²	78.7	67%	0.672	40%	0.401	S	S	*	.	H	α-helix	trans	-76.8	-40.4	-178.1	-177.4	179.3	177	143.6	5.8	113.6	M384 I385	M384-R388 WeakPolarHBondContact O-CB 3.31Å; M384-R388 PolarHBondContact O-N 2.72Å; M384-R388 VanDerWaalsContact O-N 3.11Å; I385-R388 PolarHBondContact O-N 3.29Å
389	E	91.3	Very high	89.8	Confident	45 Å²	45	81.2 Å²	81.2	21%	0.21	41%	0.406	C	S	.	.	S	Bend	trans	-109.4	18.1	-168	-60.7	-68.2	144.7	0	0	112.9	I385 N391 N392 Y395	I385-E389 HydrophobicContact CG2-CB 4.1Å; I385-E389 HydrophobicContact CG2-CG 3.69Å; I385-E389 WeakPolarHBondContact O-CB 3.3Å; I385-E389 PolarHBondContact O-N 2.98Å; E389-N391 PolarHBondContact O-N 3.43Å; E389-N391 VanDerWaalsContact O-N 3.08Å; E389-N392 HydrophobicContact CB-CB 4.18Å; E389-N392 WeakPolarHBondContact O-CB 3.45Å; E389-N392 PolarHBondContact O-N 3.45Å; E389-N392 WeakPolarHBondContact OE2-CB 3.43Å; E389-N392 PolarHBondContact OE2-ND2 3.31Å; E389-Y395 HydrophobicContact CB-CD2 3.46Å; E389-Y395 VanDerWaalsContact CB-CD2 3.46Å; E389-Y395 HydrophobicContact CB-CE2 3.99Å; E389-Y395 HydrophobicContact CB-CG 3.85Å; E389-Y395 HydrophobicContact CG-CD2 3.66Å; E389-Y395 HydrophobicContact CG-CE2 3.62Å; E389-Y395 HydrophobicContact CG-CG 4.31Å
390	I	88.4	Confident	89.7	Confident	104 Å²	104	78.2 Å²	78.2	53%	0.533	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-31.4	-178.1	-166.7	168.7	0	0	0	114.6	M386 F399	M386-I390 PolarHBondContact O-N 3.06Å; I390-F399 HydrophobicContact CB-CE1 4.35Å; I390-F399 HydrophobicContact CB-CZ 4.15Å; I390-F399 HydrophobicContact CG1-CE1 4.11Å; I390-F399 HydrophobicContact CG1-CZ 4.27Å
391	N	90.3	Very high	89.5	Confident	155 Å²	155	75.1 Å²	75.1	83%	0.829	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-3	178.8	-65	-40.3	0	0	0	113.7	E389	E389-N391 PolarHBondContact O-N 3.43Å; E389-N391 VanDerWaalsContact O-N 3.08Å
392	N	89.3	Confident	88.9	Confident	45 Å²	45	78.6 Å²	78.6	24%	0.241	39%	0.387	C	S	.	.			trans	-93.4	117	-173.9	-175.5	-16.3	0	0	0	110.9	E389 M394 Y395	E389-N392 HydrophobicContact CB-CB 4.18Å; E389-N392 WeakPolarHBondContact O-CB 3.45Å; E389-N392 PolarHBondContact O-N 3.45Å; E389-N392 WeakPolarHBondContact OE2-CB 3.43Å; E389-N392 PolarHBondContact OE2-ND2 3.31Å; N392-M394 PolarHBondContact O-N 3.45Å; N392-M394 VanDerWaalsContact O-N 3.12Å; N392-M394 WeakPolarHBondContact OD1-CB 3.49Å; N392-M394 PolarHBondContact OD1-N 2.9Å; N392-Y395 HydrophobicContact CB-CD2 4.05Å; N392-Y395 WeakPolarHBondContact ND2-CD2 3.34Å; N392-Y395 PolarHBondContact O-N 3.38Å; N392-Y395 VanDerWaalsContact O-N 3.07Å
393	P	87.3	Confident	88.7	Confident	108 Å²	108	78.5 Å²	78.5	70%	0.701	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-62	-23.9	-177.5	25.7	-34.8	0	0	0	113.6	Y395 R396	P393-Y395 VanDerWaalsContact C-N 3.28Å; P393-Y395 PolarHBondContact O-N 2.85Å; P393-R396 VanDerWaalsContact O-CB 3.27Å; P393-R396 WeakPolarHBondContact O-CB 3.48Å; P393-R396 PolarHBondContact O-N 3.37Å
394	M	84.5	Confident	88.6	Confident	129 Å²	129	79 Å²	79	64%	0.635	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-66.6	-29.6	177.2	-59.6	-170.6	-177.6	0	0	112.7	L366 N392 F397	L366-M394 HydrophobicContact CD2-CB 3.76Å; L366-M394 WeakPolarHBondContact CD2-O 3.48Å; N392-M394 PolarHBondContact O-N 3.45Å; N392-M394 VanDerWaalsContact O-N 3.12Å; N392-M394 WeakPolarHBondContact OD1-CB 3.49Å; N392-M394 PolarHBondContact OD1-N 2.9Å; M394-F397 WeakPolarHBondContact O-CD1 3.27Å
395	Y	89.9	Confident	88.6	Confident	47 Å²	47	74.6 Å²	74.6	18%	0.184	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-95.4	6.9	178	-67.1	-79	0	0	0	113.3	L366 M370 I385 E389 N392 P393 F397 L398 F399	L366-Y395 HydrophobicContact CD1-CE1 3.79Å; L366-Y395 HydrophobicContact CD2-CD1 4.25Å; L366-Y395 HydrophobicContact CD2-CE1 4.07Å; L366-Y395 HydrophobicContact CG-CE1 4.14Å; M370-Y395 HydrophobicContact CE-CD1 3.9Å; M370-Y395 HydrophobicContact CE-CE1 3.56Å; I385-Y395 HydrophobicContact CG2-CD1 4.05Å; I385-Y395 HydrophobicContact CG2-CE1 3.92Å; E389-Y395 HydrophobicContact CB-CD2 3.46Å; E389-Y395 VanDerWaalsContact CB-CD2 3.46Å; E389-Y395 HydrophobicContact CB-CE2 3.99Å; E389-Y395 HydrophobicContact CB-CG 3.85Å; E389-Y395 HydrophobicContact CG-CD2 3.66Å; E389-Y395 HydrophobicContact CG-CE2 3.62Å; E389-Y395 HydrophobicContact CG-CG 4.31Å; N392-Y395 HydrophobicContact CB-CD2 4.05Å; N392-Y395 WeakPolarHBondContact ND2-CD2 3.34Å; N392-Y395 PolarHBondContact O-N 3.38Å; N392-Y395 VanDerWaalsContact O-N 3.07Å; P393-Y395 VanDerWaalsContact C-N 3.28Å; P393-Y395 PolarHBondContact O-N 2.85Å; Y395-F397 HydrophobicContact CD1-CE1 4.19Å; Y395-F397 PolarHBondContact O-N 2.99Å; Y395-L398 HydrophobicContact CD1-CD1 4.14Å; Y395-L398 WeakPolarHBondContact O-CB 3.4Å; Y395-L398 PolarHBondContact O-N 2.66Å; Y395-F399 WeakPolarHBondContact O-CD2 3.11Å; Y395-F399 WeakPolarHBondContact O-CE2 3.05Å
396	R	89.6	Confident	88.6	Confident	156 Å²	156	73.9 Å²	73.9	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-50.4	-33.7	179.2	-177	-179.1	173.6	91.5	9	113	P393 L398 F399 D400	P393-R396 VanDerWaalsContact O-CB 3.27Å; P393-R396 WeakPolarHBondContact O-CB 3.48Å; P393-R396 PolarHBondContact O-N 3.37Å; R396-L398 PolarHBondContact O-N 3.29Å; R396-L398 VanDerWaalsContact O-N 3.12Å; R396-F399 PolarHBondContact O-N 3.25Å; R396-F399 VanDerWaalsContact O-N 3.07Å; R396-D400 HydrophobicContact CG-CB 4.18Å; R396-D400 IonicContact CZ-OD2 2.61Å; R396-D400 VanDerWaalsContact CZ-OD2 3.26Å; R396-D400 IonicContact NE-OD2 2.66Å; R396-D400 PolarHBondContact NE-OD2 2.77Å; R396-D400 IonicContact NH2-OD2 3.85Å; R396-D400 PolarHBondContact NH2-OD2 2.88Å; R396-D400 WeakPolarHBondContact O-CB 3.41Å; R396-D400 PolarHBondContact O-N 3.42Å
397	F	91.7	Very high	88.7	Confident	5 Å²	5	72.2 Å²	72.2	2%	0.022	36%	0.358	C	S	.	.	H	α-helix	trans	-59.3	-20	178.4	76.5	-92	0	0	0	114.2	L363 L366 I367 M370 M394 Y395 A405 H406 Y409	L363-F397 HydrophobicContact CD1-CD1 3.75Å; L363-F397 HydrophobicContact CD1-CE1 4.36Å; L363-F397 HydrophobicContact CD1-CG 4.48Å; L366-F397 HydrophobicContact CD2-CE1 4.27Å; L366-F397 HydrophobicContact CG-CE1 4.35Å; I367-F397 HydrophobicContact CD1-CD2 4.39Å; I367-F397 HydrophobicContact CD1-CG 4.29Å; I367-F397 HydrophobicContact CG1-CD1 4.02Å; I367-F397 HydrophobicContact CG1-CD2 3.89Å; I367-F397 HydrophobicContact CG1-CE1 3.89Å; I367-F397 HydrophobicContact CG1-CE2 3.76Å; I367-F397 HydrophobicContact CG1-CG 4.03Å; I367-F397 HydrophobicContact CG1-CZ 3.76Å; M370-F397 HydrophobicContact CB-CZ 4.27Å; M370-F397 HydrophobicContact CG-CZ 4.27Å; M394-F397 WeakPolarHBondContact O-CD1 3.27Å; Y395-F397 HydrophobicContact CD1-CE1 4.19Å; Y395-F397 PolarHBondContact O-N 2.99Å; F397-A405 HydrophobicContact CB-CB 3.58Å; F397-H406 WeakPolarHBondContact O-CB 3.45Å; F397-H406 PolarHBondContact O-ND1 3.25Å; F397-Y409 HydrophobicContact CD2-CD1 4.33Å; F397-Y409 HydrophobicContact CD2-CD2 4.5Å; F397-Y409 AromaticContact CD2-CG 3.99Å; F397-Y409 HydrophobicContact CD2-CG 3.99Å; F397-Y409 HydrophobicContact CE2-CD1 4.22Å; F397-Y409 AromaticContact CE2-CD2 3.86Å; F397-Y409 HydrophobicContact CE2-CD2 3.86Å; F397-Y409 HydrophobicContact CE2-CE2 4.36Å; F397-Y409 AromaticContact CE2-CG 3.78Å; F397-Y409 HydrophobicContact CE2-CG 3.78Å
398	L	90.2	Very high	88.9	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-36.2	175.1	-66.9	177.2	0	0	0	112	M370 E382 I385 M386 Y395 R396 H406 Y409	M370-L398 HydrophobicContact CE-CD1 4.17Å; M370-L398 HydrophobicContact CG-CD2 4.41Å; E382-L398 HydrophobicContact CG-CD2 4.4Å; I385-L398 HydrophobicContact CG2-CD1 4.43Å; M386-L398 HydrophobicContact CE-CB 3.89Å; M386-L398 HydrophobicContact CE-CD2 4.44Å; M386-L398 WeakPolarHBondContact CE-O 3.26Å; M386-L398 HydrophobicContact CG-CB 4.06Å; M386-L398 HydrophobicContact CG-CD1 4.04Å; Y395-L398 HydrophobicContact CD1-CD1 4.14Å; Y395-L398 WeakPolarHBondContact O-CB 3.4Å; Y395-L398 PolarHBondContact O-N 2.66Å; R396-L398 PolarHBondContact O-N 3.29Å; R396-L398 VanDerWaalsContact O-N 3.12Å; L398-H406 PolarHBondContact O-CE1 3.33Å; L398-H406 VanDerWaalsContact O-CE1 3.31Å; L398-H406 PolarHBondContact O-ND1 3.14Å; L398-Y409 HydrophobicContact CD2-CD1 4.22Å; L398-Y409 HydrophobicContact CD2-CE1 3.76Å
399	F	88.9	Confident	89	Confident	75 Å²	75	57.8 Å²	57.8	33%	0.329	29%	0.293	S	S	.	.	H	α-helix	trans	-97.5	-28	-172.5	-43.8	-85.2	0	0	0	113.3	M386 I390 Y395 R396 N401	M386-F399 HydrophobicContact CB-CE1 3.82Å; M386-F399 HydrophobicContact CB-CZ 4.21Å; M386-F399 HydrophobicContact CG-CE1 3.97Å; M386-F399 HydrophobicContact CG-CZ 4.33Å; M386-F399 WeakPolarHBondContact O-CE1 3.37Å; M386-F399 VanDerWaalsContact O-CZ 3.24Å; M386-F399 WeakPolarHBondContact O-CZ 3.31Å; I390-F399 HydrophobicContact CB-CE1 4.35Å; I390-F399 HydrophobicContact CB-CZ 4.15Å; I390-F399 HydrophobicContact CG1-CE1 4.11Å; I390-F399 HydrophobicContact CG1-CZ 4.27Å; Y395-F399 WeakPolarHBondContact O-CD2 3.11Å; Y395-F399 WeakPolarHBondContact O-CE2 3.05Å; R396-F399 PolarHBondContact O-N 3.25Å; R396-F399 VanDerWaalsContact O-N 3.07Å; F399-N401 PolarHBondContact O-N 3.41Å; F399-N401 PolarHBondContact O-OD1 2.88Å
400	D	87.1	Confident	89.1	Confident	44 Å²	44	58.5 Å²	58.5	24%	0.235	29%	0.294	C	S	.	.			trans	-88.7	79.2	-175.7	-165.3	-28.9	0	0	0	111.2	R396 Q402 S403 H406	R396-D400 HydrophobicContact CG-CB 4.18Å; R396-D400 IonicContact CZ-OD2 2.61Å; R396-D400 VanDerWaalsContact CZ-OD2 3.26Å; R396-D400 IonicContact NE-OD2 2.66Å; R396-D400 PolarHBondContact NE-OD2 2.77Å; R396-D400 IonicContact NH2-OD2 3.85Å; R396-D400 PolarHBondContact NH2-OD2 2.88Å; R396-D400 WeakPolarHBondContact O-CB 3.41Å; R396-D400 PolarHBondContact O-N 3.42Å; D400-Q402 PolarHBondContact O-N 3.28Å; D400-S403 VanDerWaalsContact O-CB 3.31Å; D400-S403 WeakPolarHBondContact O-CB 3.48Å; D400-S403 PolarHBondContact O-N 2.92Å; D400-S403 PolarHBondContact O-OG 3.26Å; D400-S403 PolarHBondContact OD1-N 3Å; D400-H406 WeakPolarHBondContact O-CB 3.48Å
401	N	84.1	Confident	89.3	Confident	90 Å²	90	53.5 Å²	53.5	48%	0.481	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.5	-174.5	-63.9	-6.6	0	0	0	115.2	F399 H406	F399-N401 PolarHBondContact O-N 3.41Å; F399-N401 PolarHBondContact O-OD1 2.88Å; N401-H406 PolarHBondContact OD1-CE1 3.4Å
402	Q	80.3	Confident	89.4	Confident	111 Å²	111	46.3 Å²	46.3	52%	0.519	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-11.6	175.3	-65.8	-177.3	53.8	0	0	112.7	D400	D400-Q402 PolarHBondContact O-N 3.28Å
403	S	87.9	Confident	89.6	Confident	20 Å²	20	44.9 Å²	44.9	14%	0.14	22%	0.223	C	C	.	.	S	Bend	trans	-65.8	141.5	178.5	70.9	0	0	0	0	112	D400 A405 H406 V407	D400-S403 VanDerWaalsContact O-CB 3.31Å; D400-S403 WeakPolarHBondContact O-CB 3.48Å; D400-S403 PolarHBondContact O-N 2.92Å; D400-S403 PolarHBondContact O-OG 3.26Å; D400-S403 PolarHBondContact OD1-N 3Å; S403-A405 PolarHBondContact O-N 3.25Å; S403-A405 VanDerWaalsContact O-N 3.16Å; S403-H406 WeakPolarHBondContact O-CB 3.04Å; S403-H406 PolarHBondContact O-N 3.42Å; S403-H406 WeakPolarHBondContact OG-CB 3.41Å; S403-H406 PolarHBondContact OG-N 3.11Å; S403-H406 VanDerWaalsContact OG-N 3.15Å; S403-V407 PolarHBondContact O-N 2.78Å; S403-V407 VanDerWaalsContact O-N 3.1Å
404	P	87.9	Confident	89.8	Confident	52 Å²	52	42.3 Å²	42.3	34%	0.338	20%	0.199	S	C	.	.	H	α-helix	trans	-58	-30.2	175.2	-24.9	34.4	0	0	0	113	P311 V407 Y408	P311-P404 HydrophobicContact CB-CB 4.08Å; P311-P404 HydrophobicContact CB-CG 3.46Å; P311-P404 VanDerWaalsContact CB-CG 3.46Å; P311-P404 HydrophobicContact CG-CG 3.79Å; P404-V407 PolarHBondContact O-N 3.15Å; P404-Y408 WeakPolarHBondContact O-CB 3.46Å; P404-Y408 PolarHBondContact O-N 2.9Å
405	A	90.4	Very high	90.1	Very high	13 Å²	13	36.2 Å²	36.2	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-39.8	175.3	0	0	0	0	0	112.7	L363 I367 F397 S403 Y409	L363-A405 HydrophobicContact CD2-CB 4.06Å; I367-A405 HydrophobicContact CD1-CB 4.13Å; F397-A405 HydrophobicContact CB-CB 3.58Å; S403-A405 PolarHBondContact O-N 3.25Å; S403-A405 VanDerWaalsContact O-N 3.16Å; A405-Y409 WeakPolarHBondContact O-CB 3.11Å; A405-Y409 PolarHBondContact O-N 2.76Å
406	H	91.8	Very high	90.2	Very high	3 Å²	3	36 Å²	36	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-43.9	173	-169.9	102.6	0	0	0	111.8	F319 F397 L398 D400 N401 S403 Y408 Y409 R410	F319-H406 AromaticContact CE1-CD2 3.93Å; F319-H406 AromaticContact CE1-NE2 3.97Å; F397-H406 WeakPolarHBondContact O-CB 3.45Å; F397-H406 PolarHBondContact O-ND1 3.25Å; L398-H406 PolarHBondContact O-CE1 3.33Å; L398-H406 VanDerWaalsContact O-CE1 3.31Å; L398-H406 PolarHBondContact O-ND1 3.14Å; D400-H406 WeakPolarHBondContact O-CB 3.48Å; N401-H406 PolarHBondContact OD1-CE1 3.4Å; S403-H406 WeakPolarHBondContact O-CB 3.04Å; S403-H406 PolarHBondContact O-N 3.42Å; S403-H406 WeakPolarHBondContact OG-CB 3.41Å; S403-H406 PolarHBondContact OG-N 3.11Å; S403-H406 VanDerWaalsContact OG-N 3.15Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-Y408 PolarHBondContact O-N 3.38Å; H406-Y409 PolarHBondContact O-N 3.41Å; H406-R410 VanDerWaalsContact CD2-CG 3.46Å; H406-R410 WeakPolarHBondContact CD2-CG 3.25Å; H406-R410 VanDerWaalsContact NE2-CG 3.32Å; H406-R410 WeakPolarHBondContact NE2-CG 3.17Å; H406-R410 PolarHBondContact NE2-NE 2.93Å; H406-R410 VanDerWaalsContact NE2-NE 3.14Å; H406-R410 WeakPolarHBondContact O-CG 3.5Å; H406-R410 PolarHBondContact O-N 3.11Å
407	V	91.9	Very high	90.2	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-46.4	176.7	174.8	0	0	0	0	110.2	F319 V353 V355 S403 P404 W411 W439	F319-V407 HydrophobicContact CB-CG2 4.08Å; F319-V407 HydrophobicContact CD1-CG2 4.46Å; V353-V407 HydrophobicContact CG1-CG1 3.53Å; V355-V407 HydrophobicContact CG2-CG1 4.08Å; S403-V407 PolarHBondContact O-N 2.78Å; S403-V407 VanDerWaalsContact O-N 3.1Å; P404-V407 PolarHBondContact O-N 3.15Å; V407-W411 VanDerWaalsContact O-CB 3.3Å; V407-W411 WeakPolarHBondContact O-CB 3.31Å; V407-W411 PolarHBondContact O-N 3.39Å; V407-W439 HydrophobicContact CG1-CH2 4.47Å; V407-W439 HydrophobicContact CG1-CZ3 3.84Å
408	Y	92.1	Very high	89.9	Confident	5 Å²	5	39 Å²	39	2%	0.02	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-43.4	174.3	-177.3	-96.6	0	0	0	113	V355 I357 P358 L364 I367 H368 P404 H406 W411 K412	V355-Y408 HydrophobicContact CG1-CD2 4.08Å; I357-Y408 HydrophobicContact CB-CE2 4.21Å; I357-Y408 HydrophobicContact CG1-CD2 4.45Å; I357-Y408 HydrophobicContact CG1-CE2 3.97Å; I357-Y408 HydrophobicContact CG2-CE2 4.03Å; P358-Y408 HydrophobicContact CG-CD1 3.95Å; P358-Y408 HydrophobicContact CG-CG 4.06Å; L364-Y408 HydrophobicContact CD1-CD1 4.28Å; L364-Y408 HydrophobicContact CD1-CE1 3.5Å; L364-Y408 VanDerWaalsContact CD1-CE1 3.5Å; I367-Y408 HydrophobicContact CG2-CD1 3.97Å; I367-Y408 HydrophobicContact CG2-CE1 4.13Å; H368-Y408 AromaticContact NE2-CE1 3.67Å; H368-Y408 AromaticContact NE2-CZ 3.75Å; H368-Y408 PolarHBondContact NE2-OH 3.48Å; P404-Y408 WeakPolarHBondContact O-CB 3.46Å; P404-Y408 PolarHBondContact O-N 2.9Å; H406-Y408 VanDerWaalsContact C-N 3.32Å; H406-Y408 PolarHBondContact O-N 3.38Å; Y408-W411 AromaticContact CD2-CE3 3.97Å; Y408-W411 HydrophobicContact CD2-CE3 3.97Å; Y408-W411 HydrophobicContact CD2-CZ3 4.07Å; Y408-W411 AromaticContact CE2-CE3 3.99Å; Y408-W411 HydrophobicContact CE2-CE3 3.99Å; Y408-W411 AromaticContact CE2-CZ3 3.61Å; Y408-W411 HydrophobicContact CE2-CZ3 3.61Å; Y408-K412 HydrophobicContact CE1-CB 4.3Å; Y408-K412 HydrophobicContact CE1-CG 4.47Å; Y408-K412 WeakPolarHBondContact O-CB 3.41Å; Y408-K412 PolarHBondContact O-N 2.93Å
409	Y	94	Very high	89.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.6	-53.5	176.7	169.3	-114.6	0	0	0	111.9	I367 M370 I371 E382 F397 L398 A405 H406 K412 L413	I367-Y409 HydrophobicContact CG2-CD2 4.1Å; M370-Y409 HydrophobicContact CB-CE2 4.44Å; M370-Y409 HydrophobicContact CG-CE2 3.71Å; I371-Y409 HydrophobicContact CD1-CD2 3.95Å; I371-Y409 HydrophobicContact CD1-CE2 4.41Å; I371-Y409 HydrophobicContact CG1-CD2 3.57Å; I371-Y409 HydrophobicContact CG1-CE2 3.54Å; E382-Y409 VanDerWaalsContact CD-OH 3.31Å; E382-Y409 PolarHBondContact OE2-OH 2.93Å; F397-Y409 HydrophobicContact CD2-CD1 4.33Å; F397-Y409 HydrophobicContact CD2-CD2 4.5Å; F397-Y409 AromaticContact CD2-CG 3.99Å; F397-Y409 HydrophobicContact CD2-CG 3.99Å; F397-Y409 HydrophobicContact CE2-CD1 4.22Å; F397-Y409 AromaticContact CE2-CD2 3.86Å; F397-Y409 HydrophobicContact CE2-CD2 3.86Å; F397-Y409 HydrophobicContact CE2-CE2 4.36Å; F397-Y409 AromaticContact CE2-CG 3.78Å; F397-Y409 HydrophobicContact CE2-CG 3.78Å; L398-Y409 HydrophobicContact CD2-CD1 4.22Å; L398-Y409 HydrophobicContact CD2-CE1 3.76Å; A405-Y409 WeakPolarHBondContact O-CB 3.11Å; A405-Y409 PolarHBondContact O-N 2.76Å; H406-Y409 PolarHBondContact O-N 3.41Å; Y409-K412 PolarHBondContact O-N 2.98Å; Y409-L413 VanDerWaalsContact O-CB 3.26Å; Y409-L413 WeakPolarHBondContact O-CB 3.22Å; Y409-L413 PolarHBondContact O-N 2.76Å
410	R	93.6	Very high	89.5	Confident	60 Å²	60	40.2 Å²	40.2	23%	0.226	22%	0.22	C	C	.	.	H	α-helix	trans	-62.1	-45.7	-179.7	-68.6	-64.7	-179.7	-153.5	-3.5	112.2	F319 E382 H406 Y414 W439	F319-R410 HydrophobicContact CE1-CG 4.43Å; E382-R410 IonicContact OE1-CZ 3.6Å; E382-R410 IonicContact OE1-NH1 3.61Å; E382-R410 PolarHBondContact OE1-NH1 2.95Å; E382-R410 IonicContact OE1-NH2 3.43Å; E382-R410 PolarHBondContact OE1-NH2 3.38Å; E382-R410 IonicContact OE2-CZ 2.72Å; E382-R410 IonicContact OE2-NH1 2.79Å; E382-R410 PolarHBondContact OE2-NH1 3.1Å; H406-R410 VanDerWaalsContact CD2-CG 3.46Å; H406-R410 WeakPolarHBondContact CD2-CG 3.25Å; H406-R410 VanDerWaalsContact NE2-CG 3.32Å; H406-R410 WeakPolarHBondContact NE2-CG 3.17Å; H406-R410 PolarHBondContact NE2-NE 2.93Å; H406-R410 VanDerWaalsContact NE2-NE 3.14Å; H406-R410 WeakPolarHBondContact O-CG 3.5Å; H406-R410 PolarHBondContact O-N 3.11Å; R410-Y414 WeakPolarHBondContact O-CB 3.36Å; R410-Y414 PolarHBondContact O-N 3.28Å; R410-W439 HydrophobicContact CB-CH2 4.27Å
411	W	93.1	Very high	89.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-49.4	175	169	79.1	0	0	0	111.9	V355 V407 Y408 Y414 T415 W425 F430 W439 P441 P442	V355-W411 HydrophobicContact CB-CG 4.37Å; V355-W411 HydrophobicContact CG1-CB 4.04Å; V355-W411 HydrophobicContact CG1-CD2 3.83Å; V355-W411 HydrophobicContact CG1-CE3 3.78Å; V355-W411 HydrophobicContact CG1-CG 3.92Å; V355-W411 HydrophobicContact CG2-CB 3.87Å; V355-W411 HydrophobicContact CG2-CD2 4.4Å; V355-W411 HydrophobicContact CG2-CG 3.77Å; V407-W411 VanDerWaalsContact O-CB 3.3Å; V407-W411 WeakPolarHBondContact O-CB 3.31Å; V407-W411 PolarHBondContact O-N 3.39Å; Y408-W411 AromaticContact CD2-CE3 3.97Å; Y408-W411 HydrophobicContact CD2-CE3 3.97Å; Y408-W411 HydrophobicContact CD2-CZ3 4.07Å; Y408-W411 AromaticContact CE2-CE3 3.99Å; Y408-W411 HydrophobicContact CE2-CE3 3.99Å; Y408-W411 AromaticContact CE2-CZ3 3.61Å; Y408-W411 HydrophobicContact CE2-CZ3 3.61Å; W411-Y414 PolarHBondContact O-N 3.16Å; W411-T415 HydrophobicContact CD2-CG2 4.35Å; W411-T415 HydrophobicContact CZ2-CG2 3.87Å; W411-T415 PolarHBondContact O-N 3.14Å; W411-W425 HydrophobicContact CH2-CB 4.26Å; W411-W425 AromaticContact CH2-CD1 3.67Å; W411-W425 AromaticContact CH2-CD2 3.68Å; W411-W425 HydrophobicContact CH2-CD2 3.68Å; W411-W425 AromaticContact CH2-CE2 3.72Å; W411-W425 HydrophobicContact CH2-CE3 4.37Å; W411-W425 AromaticContact CH2-CG 3.62Å; W411-W425 HydrophobicContact CH2-CG 3.62Å; W411-W425 HydrophobicContact CH2-CZ2 4.39Å; W411-W425 AromaticContact CH2-NE1 3.71Å; W411-W425 HydrophobicContact CZ2-CB 4.05Å; W411-W425 AromaticContact CZ2-CD1 3.48Å; W411-W425 VanDerWaalsContact CZ2-CD1 3.48Å; W411-W425 HydrophobicContact CZ2-CD2 4.23Å; W411-W425 AromaticContact CZ2-CG 3.66Å; W411-W425 HydrophobicContact CZ2-CG 3.66Å; W411-W425 AromaticContact CZ2-NE1 3.89Å; W411-F430 AromaticContact CD1-CE1 3.87Å; W411-F430 AromaticContact CD1-CZ 3.79Å; W411-F430 AromaticContact NE1-CE1 3.74Å; W411-W439 HydrophobicContact CB-CE3 3.92Å; W411-W439 HydrophobicContact CB-CZ3 3.89Å; W411-P441 HydrophobicContact CZ2-CB 4.05Å; W411-P442 HydrophobicContact CE3-CG 4.43Å; W411-P442 HydrophobicContact CH2-CG 3.66Å; W411-P442 VanDerWaalsContact CZ2-CD 3.49Å; W411-P442 HydrophobicContact CZ2-CG 4.18Å; W411-P442 HydrophobicContact CZ3-CG 3.79Å
412	K	92.1	Very high	89	Confident	3 Å²	3	41 Å²	41	1%	0.013	23%	0.234	C	C	.	.	H	α-helix	trans	-69.6	-38.9	-174.1	-170.2	51.9	170.6	173.6	0	111.9	I371 Y408 Y409 T415 I416 S421 P422	I371-K412 HydrophobicContact CD1-CB 3.71Å; I371-K412 HydrophobicContact CD1-CG 3.79Å; Y408-K412 HydrophobicContact CE1-CB 4.3Å; Y408-K412 HydrophobicContact CE1-CG 4.47Å; Y408-K412 WeakPolarHBondContact O-CB 3.41Å; Y408-K412 PolarHBondContact O-N 2.93Å; Y409-K412 PolarHBondContact O-N 2.98Å; K412-T415 PolarHBondContact O-N 2.78Å; K412-T415 PolarHBondContact O-OG1 3.16Å; K412-I416 HydrophobicContact CD-CD1 4.21Å; K412-I416 HydrophobicContact CG-CD1 4.21Å; K412-I416 PolarHBondContact O-N 2.84Å; K412-I416 VanDerWaalsContact O-N 3.16Å; K412-S421 PolarHBondContact NZ-O 2.68Å; K412-P422 WeakPolarHBondContact CE-O 3.45Å; K412-P422 PolarHBondContact NZ-O 2.97Å
413	L	93	Very high	88.8	Confident	16 Å²	16	39.4 Å²	39.4	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-56.2	-50.4	169.9	178.2	59.8	0	0	0	111	I371 V374 V375 Y409 T415 I416 L417	I371-L413 HydrophobicContact CG1-CB 4.25Å; I371-L413 HydrophobicContact CG2-CB 4.43Å; I371-L413 HydrophobicContact CG2-CD1 3.98Å; V374-L413 HydrophobicContact CB-CD1 4.43Å; V374-L413 HydrophobicContact CG1-CD1 4.01Å; V374-L413 HydrophobicContact CG1-CD2 4.11Å; V375-L413 HydrophobicContact CG2-CD1 3.65Å; Y409-L413 VanDerWaalsContact O-CB 3.26Å; Y409-L413 WeakPolarHBondContact O-CB 3.22Å; Y409-L413 PolarHBondContact O-N 2.76Å; L413-T415 PolarHBondContact O-N 2.81Å; L413-I416 PolarHBondContact O-N 3.03Å; L413-L417 HydrophobicContact CD1-CD1 3.96Å; L413-L417 HydrophobicContact CD1-CG 4.24Å; L413-L417 HydrophobicContact CG-CD1 3.96Å; L413-L417 WeakPolarHBondContact O-CG 3.3Å; L413-L417 PolarHBondContact O-N 2.92Å
414	Y	91.9	Very high	88.3	Confident	53 Å²	53	45.6 Å²	45.6	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-46.6	178	178.2	-90.7	0	0	0	112.5	R410 W411 I416 L417 Q418 F430 M432	R410-Y414 WeakPolarHBondContact O-CB 3.36Å; R410-Y414 PolarHBondContact O-N 3.28Å; W411-Y414 PolarHBondContact O-N 3.16Å; Y414-I416 VanDerWaalsContact C-N 3.32Å; Y414-I416 PolarHBondContact O-N 3.1Å; Y414-L417 PolarHBondContact O-N 3.43Å; Y414-Q418 HydrophobicContact CD1-CG 4.16Å; Y414-Q418 HydrophobicContact CE1-CG 3.78Å; Y414-Q418 HydrophobicContact CE2-CG 4.33Å; Y414-Q418 WeakPolarHBondContact O-CG 3.13Å; Y414-Q418 PolarHBondContact O-N 3.46Å; Y414-Q418 PolarHBondContact OH-NE2 3.41Å; Y414-F430 AromaticContact CD1-CE2 3.73Å; Y414-F430 HydrophobicContact CD1-CE2 3.73Å; Y414-F430 AromaticContact CD1-CZ 3.9Å; Y414-F430 HydrophobicContact CD1-CZ 3.9Å; Y414-F430 HydrophobicContact CE1-CD2 4.13Å; Y414-F430 AromaticContact CE1-CE2 3.33Å; Y414-F430 HydrophobicContact CE1-CE2 3.33Å; Y414-F430 AromaticContact CE1-CZ 3.92Å; Y414-F430 HydrophobicContact CE1-CZ 3.92Å; Y414-M432 HydrophobicContact CD1-CE 4.28Å; Y414-M432 HydrophobicContact CD1-CG 4.37Å; Y414-M432 HydrophobicContact CD2-CG 3.58Å; Y414-M432 HydrophobicContact CD2-SD 4.17Å; Y414-M432 HydrophobicContact CE1-CG 4.46Å; Y414-M432 HydrophobicContact CE2-CG 3.67Å; Y414-M432 HydrophobicContact CG-CE 3.97Å; Y414-M432 HydrophobicContact CG-CG 3.93Å; Y414-M432 HydrophobicContact CG-SD 4.21Å
415	T	91.4	Very high	88.1	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.006	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-39.6	178.9	58.4	0	0	0	0	112.7	W411 K412 L413 Q418 G419 E420	W411-T415 HydrophobicContact CD2-CG2 4.35Å; W411-T415 HydrophobicContact CZ2-CG2 3.87Å; W411-T415 PolarHBondContact O-N 3.14Å; K412-T415 PolarHBondContact O-N 2.78Å; K412-T415 PolarHBondContact O-OG1 3.16Å; L413-T415 PolarHBondContact O-N 2.81Å; T415-Q418 PolarHBondContact O-N 3.05Å; T415-G419 PolarHBondContact O-N 2.68Å; T415-E420 VanDerWaalsContact O-CB 3.24Å; T415-E420 WeakPolarHBondContact O-CB 3.32Å; T415-E420 PolarHBondContact O-N 3.17Å
416	I	90.9	Very high	87.8	Confident	42 Å²	42	48.1 Å²	48.1	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-71.8	-36.2	179.6	-70.6	167.1	0	0	0	111.2	I371 V375 K412 L413 Y414 Q418 G419	I371-I416 HydrophobicContact CG2-CD1 3.83Å; V375-I416 HydrophobicContact CG1-CG2 4.28Å; V375-I416 HydrophobicContact CG2-CG2 3.93Å; K412-I416 HydrophobicContact CD-CD1 4.21Å; K412-I416 HydrophobicContact CG-CD1 4.21Å; K412-I416 PolarHBondContact O-N 2.84Å; K412-I416 VanDerWaalsContact O-N 3.16Å; L413-I416 PolarHBondContact O-N 3.03Å; Y414-I416 VanDerWaalsContact C-N 3.32Å; Y414-I416 PolarHBondContact O-N 3.1Å; I416-Q418 VanDerWaalsContact C-N 3.28Å; I416-Q418 PolarHBondContact O-N 3.22Å; I416-G419 PolarHBondContact O-N 2.9Å
417	L	89.2	Confident	87.4	Confident	110 Å²	110	51.9 Å²	51.9	58%	0.576	29%	0.287	S	S	*	.	H	α-helix	trans	-66.5	-27.7	173	-70.7	171.5	0	0	0	112.9	V375 L413 Y414 G419	V375-L417 HydrophobicContact CG1-CD2 4.39Å; V375-L417 HydrophobicContact CG2-CD2 4.07Å; V375-L417 HydrophobicContact CG2-CG 4.33Å; L413-L417 HydrophobicContact CD1-CD1 3.96Å; L413-L417 HydrophobicContact CD1-CG 4.24Å; L413-L417 HydrophobicContact CG-CD1 3.96Å; L413-L417 WeakPolarHBondContact O-CG 3.3Å; L413-L417 PolarHBondContact O-N 2.92Å; Y414-L417 PolarHBondContact O-N 3.43Å; L417-G419 PolarHBondContact O-N 3.01Å
418	Q	86.4	Confident	87.1	Confident	116 Å²	116	58.6 Å²	58.6	54%	0.542	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	8.8	170.7	-63.6	-67.2	-8.7	0	0	113.4	Y414 T415 I416 E420	Y414-Q418 HydrophobicContact CD1-CG 4.16Å; Y414-Q418 HydrophobicContact CE1-CG 3.78Å; Y414-Q418 HydrophobicContact CE2-CG 4.33Å; Y414-Q418 WeakPolarHBondContact O-CG 3.13Å; Y414-Q418 PolarHBondContact O-N 3.46Å; Y414-Q418 PolarHBondContact OH-NE2 3.41Å; T415-Q418 PolarHBondContact O-N 3.05Å; I416-Q418 VanDerWaalsContact C-N 3.28Å; I416-Q418 PolarHBondContact O-N 3.22Å; Q418-E420 VanDerWaalsContact C-N 3.32Å; Q418-E420 PolarHBondContact O-N 2.71Å
419	G	83.9	Confident	87	Confident	69 Å²	69	60.9 Å²	60.9	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	8.3	178.8	0	0	0	0	0	115.4	T415 I416 L417	T415-G419 PolarHBondContact O-N 2.68Å; I416-G419 PolarHBondContact O-N 2.9Å; L417-G419 PolarHBondContact O-N 3.01Å
420	E	86.4	Confident	86.8	Confident	31 Å²	31	61.5 Å²	61.5	15%	0.145	33%	0.333	C	S	.	.			trans	-68.5	149.9	174	-58.5	-174.5	-144.4	0	0	111.2	T415 Q418 W425 R426	T415-E420 VanDerWaalsContact O-CB 3.24Å; T415-E420 WeakPolarHBondContact O-CB 3.32Å; T415-E420 PolarHBondContact O-N 3.17Å; Q418-E420 VanDerWaalsContact C-N 3.32Å; Q418-E420 PolarHBondContact O-N 2.71Å; E420-W425 WeakPolarHBondContact OE2-CA 3.1Å; E420-W425 VanDerWaalsContact OE2-CB 3.22Å; E420-W425 WeakPolarHBondContact OE2-CB 3.46Å; E420-R426 IonicContact OE1-CZ 2.92Å; E420-R426 IonicContact OE1-NH1 3.26Å; E420-R426 PolarHBondContact OE1-NH1 3.14Å; E420-R426 PolarHBondContact OE2-N 2.92Å
421	S	82.5	Confident	86.6	Confident	59 Å²	59	64.6 Å²	64.6	41%	0.413	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-69.7	141.7	-175.3	-175.6	0	0	0	0	111.5	K412 A423 K424	K412-S421 PolarHBondContact NZ-O 2.68Å; S421-A423 PolarHBondContact O-N 3.5Å; S421-K424 WeakPolarHBondContact CA-O 3.39Å; S421-K424 WeakPolarHBondContact CB-O 2.98Å; S421-K424 PolarHBondContact N-O 3.33Å; S421-K424 VanDerWaalsContact N-O 3.07Å; S421-K424 CarbonylContact O-C 3.54Å; S421-K424 PolarHBondContact O-N 3.36Å; S421-K424 VanDerWaalsContact O-N 3.13Å
422	P	78.4	Confident	86.3	Confident	93 Å²	93	65.7 Å²	65.7	60%	0.604	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-35.3	172.6	-29.9	36.4	0	0	0	113.3	K412	K412-P422 WeakPolarHBondContact CE-O 3.45Å; K412-P422 PolarHBondContact NZ-O 2.97Å
423	A	75.4	Confident	85.9	Confident	76 Å²	76	71.1 Å²	71.1	63%	0.628	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-4.6	-179	0	0	0	0	0	115.5	S421	S421-A423 PolarHBondContact O-N 3.5Å
424	K	77.4	Confident	85.4	Confident	150 Å²	150	80.2 Å²	80.2	65%	0.652	41%	0.413	S	S	*	.	B	Isolated β-bridge	trans	-144.3	119.7	178.4	-60.6	-178	-178.4	-179.9	0	110.3	S421 L444	S421-K424 WeakPolarHBondContact CA-O 3.39Å; S421-K424 WeakPolarHBondContact CB-O 2.98Å; S421-K424 PolarHBondContact N-O 3.33Å; S421-K424 VanDerWaalsContact N-O 3.07Å; S421-K424 CarbonylContact O-C 3.54Å; S421-K424 PolarHBondContact O-N 3.36Å; S421-K424 VanDerWaalsContact O-N 3.13Å; K424-L444 HydrophobicContact CB-CD2 4.34Å; K424-L444 HydrophobicContact CG-CD2 4.38Å
425	W	85.4	Confident	84.8	Confident	33 Å²	33	83.5 Å²	83.5	13%	0.125	43%	0.434	C	S	.	.			trans	-127.1	165.2	-179	54.5	87.2	0	0	0	110.3	I357 W411 E420 P442 L444	I357-W425 HydrophobicContact CD1-CZ2 4.34Å; W411-W425 HydrophobicContact CH2-CB 4.26Å; W411-W425 AromaticContact CH2-CD1 3.67Å; W411-W425 AromaticContact CH2-CD2 3.68Å; W411-W425 HydrophobicContact CH2-CD2 3.68Å; W411-W425 AromaticContact CH2-CE2 3.72Å; W411-W425 HydrophobicContact CH2-CE3 4.37Å; W411-W425 AromaticContact CH2-CG 3.62Å; W411-W425 HydrophobicContact CH2-CG 3.62Å; W411-W425 HydrophobicContact CH2-CZ2 4.39Å; W411-W425 AromaticContact CH2-NE1 3.71Å; W411-W425 HydrophobicContact CZ2-CB 4.05Å; W411-W425 AromaticContact CZ2-CD1 3.48Å; W411-W425 VanDerWaalsContact CZ2-CD1 3.48Å; W411-W425 HydrophobicContact CZ2-CD2 4.23Å; W411-W425 AromaticContact CZ2-CG 3.66Å; W411-W425 HydrophobicContact CZ2-CG 3.66Å; W411-W425 AromaticContact CZ2-NE1 3.89Å; E420-W425 WeakPolarHBondContact OE2-CA 3.1Å; E420-W425 VanDerWaalsContact OE2-CB 3.22Å; E420-W425 WeakPolarHBondContact OE2-CB 3.46Å; W425-P442 HydrophobicContact CZ2-CG 4.14Å; W425-P442 PolarHBondContact NE1-O 2.9Å; W425-L444 HydrophobicContact CD2-CG 4.34Å; W425-L444 HydrophobicContact CZ2-CG 4.37Å; W425-L444 WeakPolarHBondContact O-CD1 3.3Å
426	R	82.8	Confident	84.5	Confident	86 Å²	86	83.9 Å²	83.9	33%	0.325	44%	0.438	S	S	.	.			trans	-78.3	148.3	175.1	74.1	-166.3	-155.1	-90.5	11.7	111.9	E420 F430 P441	E420-R426 IonicContact OE1-CZ 2.92Å; E420-R426 IonicContact OE1-NH1 3.26Å; E420-R426 PolarHBondContact OE1-NH1 3.14Å; E420-R426 PolarHBondContact OE2-N 2.92Å; R426-F430 VanDerWaalsContact NH2-CD2 3.29Å; R426-P441 VanDerWaalsContact O-CB 3.25Å; R426-P441 WeakPolarHBondContact O-CB 3.41Å; R426-P441 WeakPolarHBondContact O-CG 3.47Å
427	T	84.3	Confident	84.4	Confident	82 Å²	82	82.2 Å²	82.2	50%	0.503	43%	0.43	S	S	.	.			trans	-103.9	-6.1	-174.5	44.6	0	0	0	0	114.9	L444	T427-L444 HydrophobicContact CG2-CD1 3.41Å; T427-L444 VanDerWaalsContact CG2-CD1 3.41Å
428	E	85.3	Confident	84.5	Confident	146 Å²	146	78.3 Å²	78.3	68%	0.682	41%	0.41	S	S	*	.	S	Bend	trans	-73.1	144	-179.5	-67.4	162.9	-156.5	0	0	112.5	F430 P441	E428-F430 PolarHBondContact O-N 3.42Å; E428-P441 VanDerWaalsContact O-CD 3.26Å; E428-P441 WeakPolarHBondContact O-CD 3.38Å; E428-P441 WeakPolarHBondContact O-CG 3.22Å
429	D	89.5	Confident	84.8	Confident	52 Å²	52	73 Å²	73	28%	0.278	39%	0.385	S	S	.	.			trans	-63.1	126.1	172.4	-78	-3.4	0	0	0	110.3	W439 R440	D429-W439 WeakPolarHBondContact CA-O 3.43Å; D429-R440 WeakPolarHBondContact OD1-CA 3.43Å; D429-R440 WeakPolarHBondContact OD1-CB 3.38Å; D429-R440 VanDerWaalsContact OD1-CG 3.24Å; D429-R440 WeakPolarHBondContact OD1-CG 3.46Å; D429-R440 IonicContact OD1-CZ 2.93Å; D429-R440 IonicContact OD1-NE 2.78Å; D429-R440 PolarHBondContact OD1-NE 3.2Å; D429-R440 IonicContact OD1-NH2 3.86Å; D429-R440 IonicContact OD2-CZ 2.74Å; D429-R440 IonicContact OD2-NE 3.55Å; D429-R440 PolarHBondContact OD2-NE 3.01Å; D429-R440 IonicContact OD2-NH2 2.61Å; D429-R440 PolarHBondContact OD2-NH2 3.3Å
430	F	90.3	Very high	85	Confident	14 Å²	14	74.3 Å²	74.3	6%	0.061	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	158	-175.4	74.4	-91.4	0	0	0	114	W411 Y414 R426 E428 M432 L438 W439 P441	W411-F430 AromaticContact CD1-CE1 3.87Å; W411-F430 AromaticContact CD1-CZ 3.79Å; W411-F430 AromaticContact NE1-CE1 3.74Å; Y414-F430 AromaticContact CD1-CE2 3.73Å; Y414-F430 HydrophobicContact CD1-CE2 3.73Å; Y414-F430 AromaticContact CD1-CZ 3.9Å; Y414-F430 HydrophobicContact CD1-CZ 3.9Å; Y414-F430 HydrophobicContact CE1-CD2 4.13Å; Y414-F430 AromaticContact CE1-CE2 3.33Å; Y414-F430 HydrophobicContact CE1-CE2 3.33Å; Y414-F430 AromaticContact CE1-CZ 3.92Å; Y414-F430 HydrophobicContact CE1-CZ 3.92Å; R426-F430 VanDerWaalsContact NH2-CD2 3.29Å; E428-F430 PolarHBondContact O-N 3.42Å; F430-M432 HydrophobicContact CE2-CB 4.11Å; F430-L438 CarbonylContact O-C 3.45Å; F430-W439 HydrophobicContact CD1-CB 4.34Å; F430-W439 HydrophobicContact CE1-CB 4.04Å; F430-W439 HydrophobicContact CE2-CB 4.27Å; F430-W439 HydrophobicContact CZ-CB 4Å; F430-W439 PolarHBondContact N-O 2.9Å; F430-W439 PolarHBondContact O-N 2.87Å; F430-P441 HydrophobicContact CD1-CG 4.2Å; F430-P441 HydrophobicContact CE1-CG 4.12Å
431	R	89.1	Confident	85.2	Confident	125 Å²	125	73.2 Å²	73.2	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.6	171.8	-73	-173.8	170.4	145.4	-2	111.2	S349 G436 L438	S349-R431 PolarHBondContact O-NH2 3.26Å; R431-G436 WeakPolarHBondContact CD-O 3.24Å; R431-G436 PolarHBondContact NE-O 3.16Å; R431-L438 HydrophobicContact CG-CD2 3.85Å; R431-L438 HydrophobicContact CG-CG 4.4Å
432	M	86.2	Confident	85.3	Confident	22 Å²	22	70.6 Å²	70.6	11%	0.108	35%	0.346	C	S	.	.	S	Bend	trans	-77	-29.3	173.5	-169.6	-177.7	-66.5	0	0	112.3	Y414 F430 W439	Y414-M432 HydrophobicContact CD1-CE 4.28Å; Y414-M432 HydrophobicContact CD1-CG 4.37Å; Y414-M432 HydrophobicContact CD2-CG 3.58Å; Y414-M432 HydrophobicContact CD2-SD 4.17Å; Y414-M432 HydrophobicContact CE1-CG 4.46Å; Y414-M432 HydrophobicContact CE2-CG 3.67Å; Y414-M432 HydrophobicContact CG-CE 3.97Å; Y414-M432 HydrophobicContact CG-CG 3.93Å; Y414-M432 HydrophobicContact CG-SD 4.21Å; F430-M432 HydrophobicContact CE2-CB 4.11Å; M432-W439 HydrophobicContact CB-CG 4.31Å; M432-W439 HydrophobicContact CE-CD2 3.67Å; M432-W439 HydrophobicContact CE-CE3 3.77Å; M432-W439 HydrophobicContact CE-CG 4.26Å; M432-W439 HydrophobicContact CE-CH2 4.07Å; M432-W439 HydrophobicContact CE-CZ2 3.98Å; M432-W439 HydrophobicContact CE-CZ3 3.96Å; M432-W439 HydrophobicContact SD-CZ2 4.14Å
433	F	85.1	Confident	85.2	Confident	117 Å²	117	69 Å²	69	51%	0.513	34%	0.335	S	S	.	.	S	Bend	trans	-130.6	147.5	-177.4	-53	-72.9	0	0	0	110.6	F319 N435 G436	F319-F433 HydrophobicContact CE2-CE2 4.49Å; F433-N435 PolarHBondContact O-N 2.92Å; F433-G436 PolarHBondContact O-N 2.75Å; F433-G436 VanDerWaalsContact O-N 3.09Å
434	K	81.7	Confident	84.7	Confident	208 Å²	208	69.2 Å²	69.2	90%	0.904	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	134.4	170.7	-66	-177.1	179.5	-179.5	0	109.1	G436	K434-G436 PolarHBondContact O-N 3.31Å
435	N	79.9	Confident	84.1	Confident	121 Å²	121	64.6 Å²	64.6	65%	0.647	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	4.8	-173.1	-58.3	-5.4	0	0	0	116.5	S349 F433	S349-N435 WeakPolarHBondContact CB-O 3.48Å; F433-N435 PolarHBondContact O-N 2.92Å
436	G	84.1	Confident	83	Confident	9 Å²	9	64.8 Å²	64.8	9%	0.093	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-79	172.1	176.8	0	0	0	0	0	114.1	R431 F433 K434	R431-G436 WeakPolarHBondContact CD-O 3.24Å; R431-G436 PolarHBondContact NE-O 3.16Å; F433-G436 PolarHBondContact O-N 2.75Å; F433-G436 VanDerWaalsContact O-N 3.09Å; K434-G436 PolarHBondContact O-N 3.31Å
437	S	90.3	Very high	82	Confident	8 Å²	8	62 Å²	62	6%	0.056	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60.3	155.8	174.6	-55.9	0	0	0	0	113.3	L348 A351	L348-S437 VanDerWaalsContact CD1-OG 3.27Å; L348-S437 WeakPolarHBondContact CD1-OG 3.37Å; L348-S437 WeakPolarHBondContact O-CA 3.48Å; L348-S437 WeakPolarHBondContact O-CB 3.4Å; L348-S437 PolarHBondContact O-N 3.35Å; L348-S437 PolarHBondContact O-OG 2.82Å; A351-S437 WeakPolarHBondContact O-CA 3.41Å; A351-S437 VanDerWaalsContact O-CB 3.3Å; A351-S437 WeakPolarHBondContact O-CB 3.34Å
438	L	90	Very high	80.6	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.141	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	122.8	171.7	-74.5	163.4	0	0	0	109.7	A351 I352 V353 F430 R431	A351-L438 PolarHBondContact O-N 2.85Å; I352-L438 CarbonylContact C-O 3.46Å; I352-L438 WeakPolarHBondContact CA-O 3.15Å; I352-L438 HydrophobicContact CG1-CB 4Å; I352-L438 HydrophobicContact CG1-CD1 4.4Å; V353-L438 PolarHBondContact N-O 2.94Å; F430-L438 CarbonylContact O-C 3.45Å; R431-L438 HydrophobicContact CG-CD2 3.85Å; R431-L438 HydrophobicContact CG-CG 4.4Å
439	W	92.3	Very high	79.1	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.6	173.4	-70.7	68.1	0	0	0	108.7	F319 V353 V355 V407 R410 W411 D429 F430 M432 P441	F319-W439 HydrophobicContact CB-CH2 4.19Å; F319-W439 HydrophobicContact CB-CZ2 4.24Å; F319-W439 AromaticContact CD1-CH2 3.93Å; F319-W439 HydrophobicContact CD1-CH2 3.93Å; F319-W439 HydrophobicContact CD1-CZ2 4.23Å; F319-W439 HydrophobicContact CD2-CH2 4.24Å; F319-W439 AromaticContact CD2-CZ2 3.71Å; F319-W439 HydrophobicContact CD2-CZ2 3.71Å; F319-W439 HydrophobicContact CE1-CH2 4.38Å; F319-W439 HydrophobicContact CE2-CZ2 4.09Å; F319-W439 AromaticContact CG-CH2 3.85Å; F319-W439 HydrophobicContact CG-CH2 3.85Å; F319-W439 AromaticContact CG-CZ2 3.79Å; F319-W439 HydrophobicContact CG-CZ2 3.79Å; F319-W439 HydrophobicContact CZ-CZ2 4.5Å; V353-W439 HydrophobicContact CB-CD2 4.09Å; V353-W439 HydrophobicContact CB-CE3 4.31Å; V353-W439 HydrophobicContact CB-CG 4.34Å; V353-W439 HydrophobicContact CG1-CD2 4Å; V353-W439 HydrophobicContact CG1-CE3 3.74Å; V353-W439 HydrophobicContact CG1-CH2 4.2Å; V353-W439 HydrophobicContact CG1-CZ2 4.43Å; V353-W439 HydrophobicContact CG1-CZ3 3.85Å; V355-W439 HydrophobicContact CG2-CE3 3.72Å; V355-W439 HydrophobicContact CG2-CZ3 4.24Å; V407-W439 HydrophobicContact CG1-CH2 4.47Å; V407-W439 HydrophobicContact CG1-CZ3 3.84Å; R410-W439 HydrophobicContact CB-CH2 4.27Å; W411-W439 HydrophobicContact CB-CE3 3.92Å; W411-W439 HydrophobicContact CB-CZ3 3.89Å; D429-W439 WeakPolarHBondContact CA-O 3.43Å; F430-W439 HydrophobicContact CD1-CB 4.34Å; F430-W439 HydrophobicContact CE1-CB 4.04Å; F430-W439 HydrophobicContact CE2-CB 4.27Å; F430-W439 HydrophobicContact CZ-CB 4Å; F430-W439 PolarHBondContact N-O 2.9Å; F430-W439 PolarHBondContact O-N 2.87Å; M432-W439 HydrophobicContact CB-CG 4.31Å; M432-W439 HydrophobicContact CE-CD2 3.67Å; M432-W439 HydrophobicContact CE-CE3 3.77Å; M432-W439 HydrophobicContact CE-CG 4.26Å; M432-W439 HydrophobicContact CE-CH2 4.07Å; M432-W439 HydrophobicContact CE-CZ2 3.98Å; M432-W439 HydrophobicContact CE-CZ3 3.96Å; M432-W439 HydrophobicContact SD-CZ2 4.14Å; W439-P441 WeakPolarHBondContact O-CD 3.31Å
440	R	89.7	Confident	77.1	Confident	97 Å²	97	59 Å²	59	37%	0.366	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.8	172.8	178.8	162.7	-64.8	177.5	0.2	109.2	I352 V353 V355 D429	I352-R440 HydrophobicContact CG2-CB 3.87Å; V353-R440 PolarHBondContact O-N 3Å; V355-R440 VanDerWaalsContact CB-O 3.28Å; V355-R440 WeakPolarHBondContact CB-O 3.37Å; V355-R440 WeakPolarHBondContact CG2-O 3.39Å; V355-R440 PolarHBondContact N-O 2.84Å; D429-R440 WeakPolarHBondContact OD1-CA 3.43Å; D429-R440 WeakPolarHBondContact OD1-CB 3.38Å; D429-R440 VanDerWaalsContact OD1-CG 3.24Å; D429-R440 WeakPolarHBondContact OD1-CG 3.46Å; D429-R440 IonicContact OD1-CZ 2.93Å; D429-R440 IonicContact OD1-NE 2.78Å; D429-R440 PolarHBondContact OD1-NE 3.2Å; D429-R440 IonicContact OD1-NH2 3.86Å; D429-R440 IonicContact OD2-CZ 2.74Å; D429-R440 IonicContact OD2-NE 3.55Å; D429-R440 PolarHBondContact OD2-NE 3.01Å; D429-R440 IonicContact OD2-NH2 2.61Å; D429-R440 PolarHBondContact OD2-NH2 3.3Å
441	P	89.7	Confident	74.8	Confident	9 Å²	9	59.5 Å²	59.5	6%	0.058	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-59.8	155.2	175.4	-21.2	33.3	0	0	0	111.9	W411 R426 E428 F430 W439	W411-P441 HydrophobicContact CZ2-CB 4.05Å; R426-P441 VanDerWaalsContact O-CB 3.25Å; R426-P441 WeakPolarHBondContact O-CB 3.41Å; R426-P441 WeakPolarHBondContact O-CG 3.47Å; E428-P441 VanDerWaalsContact O-CD 3.26Å; E428-P441 WeakPolarHBondContact O-CD 3.38Å; E428-P441 WeakPolarHBondContact O-CG 3.22Å; F430-P441 HydrophobicContact CD1-CG 4.2Å; F430-P441 HydrophobicContact CE1-CG 4.12Å; W439-P441 WeakPolarHBondContact O-CD 3.31Å
442	P	84	Confident	72.6	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.026	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-71.1	149.9	165.8	32.4	-30.6	0	0	0	109.5	V355 I357 W411 W425	V355-P442 HydrophobicContact CG1-CG 4.33Å; I357-P442 HydrophobicContact CD1-CB 4.02Å; I357-P442 HydrophobicContact CD1-CG 4.23Å; I357-P442 HydrophobicContact CG1-CB 3.62Å; I357-P442 HydrophobicContact CG1-CG 3.85Å; W411-P442 HydrophobicContact CE3-CG 4.43Å; W411-P442 HydrophobicContact CH2-CG 3.66Å; W411-P442 VanDerWaalsContact CZ2-CD 3.49Å; W411-P442 HydrophobicContact CZ2-CG 4.18Å; W411-P442 HydrophobicContact CZ3-CG 3.79Å; W425-P442 HydrophobicContact CZ2-CG 4.14Å; W425-P442 PolarHBondContact NE1-O 2.9Å
443	P	76.9	Confident	70.3	Confident	58 Å²	58	66.7 Å²	66.7	38%	0.377	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-63.8	144.6	172.3	27	-33.6	0	0	0	110.6	N445 P446	P443-N445 PolarHBondContact O-N 3.35Å; P443-N445 VanDerWaalsContact O-N 3.15Å; P443-P446 HydrophobicContact CG-CB 4.26Å; P443-P446 HydrophobicContact CG-CG 4.13Å
444	L	64.8	Low	68.2	Low	81 Å²	81	69.1 Å²	69.1	42%	0.424	35%	0.348	S	S	.	.	S	Bend	trans	-57.9	-31.4	-178.7	-81.1	80.1	0	0	0	112.8	K424 W425 T427	K424-L444 HydrophobicContact CB-CD2 4.34Å; K424-L444 HydrophobicContact CG-CD2 4.38Å; W425-L444 HydrophobicContact CD2-CG 4.34Å; W425-L444 HydrophobicContact CZ2-CG 4.37Å; W425-L444 WeakPolarHBondContact O-CD1 3.3Å; T427-L444 HydrophobicContact CG2-CD1 3.41Å; T427-L444 VanDerWaalsContact CG2-CD1 3.41Å
445	N	65.7	Low	66.2	Low	53 Å²	53	61.6 Å²	61.6	28%	0.283	33%	0.33	S	S	.	.			trans	-144.5	99	173.7	-161.1	-24.2	0	0	0	109.8	P443 Y447 L448	P443-N445 PolarHBondContact O-N 3.35Å; P443-N445 VanDerWaalsContact O-N 3.15Å; N445-Y447 PolarHBondContact O-N 3.12Å; N445-L448 HydrophobicContact CB-CB 4.22Å; N445-L448 HydrophobicContact CB-CD1 3.84Å; N445-L448 HydrophobicContact CB-CG 3.94Å; N445-L448 WeakPolarHBondContact ND2-CD1 3.35Å; N445-L448 PolarHBondContact O-N 3.35Å
446	P	61.2	Low	64.1	Low	38 Å²	38	64 Å²	64	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-9.9	-177.1	-23.6	31.7	0	0	0	115.4	T309 P443	T309-P446 HydrophobicContact CG2-CB 4.11Å; P443-P446 HydrophobicContact CG-CB 4.26Å; P443-P446 HydrophobicContact CG-CG 4.13Å
447	Y	61.4	Low	61.9	Low	26 Å²	26	72.6 Å²	72.6	10%	0.102	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	3.2	-172.1	-46.7	-64.5	0	0	0	113.6	P235 M262 P298 I301 T309 N445	P235-Y447 HydrophobicContact CB-CD1 4.18Å; P235-Y447 HydrophobicContact CG-CD1 4.33Å; P235-Y447 HydrophobicContact CG-CG 4.46Å; P235-Y447 WeakPolarHBondContact CG-O 3.33Å; M262-Y447 VanDerWaalsContact CB-O 3.3Å; M262-Y447 WeakPolarHBondContact CB-O 3.33Å; P298-Y447 VanDerWaalsContact CD-CD2 3.4Å; P298-Y447 HydrophobicContact CG-CD1 3.84Å; P298-Y447 HydrophobicContact CG-CD2 3.83Å; P298-Y447 HydrophobicContact CG-CE1 3.99Å; P298-Y447 HydrophobicContact CG-CE2 3.97Å; P298-Y447 HydrophobicContact CG-CG 3.75Å; I301-Y447 HydrophobicContact CD1-CE1 3.73Å; I301-Y447 WeakPolarHBondContact CD1-OH 3.37Å; I301-Y447 HydrophobicContact CG1-CD1 4.42Å; I301-Y447 HydrophobicContact CG1-CE1 3.75Å; I301-Y447 HydrophobicContact CG2-CE1 4Å; T309-Y447 HydrophobicContact CG2-CE1 4.11Å; N445-Y447 PolarHBondContact O-N 3.12Å
448	L	56	Low	59.3	Low	78 Å²	78	81.1 Å²	81.1	41%	0.408	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-28.4	169.8	-71.5	-179.1	0	0	0	112.6	M262 N263 N445 G450	M262-L448 WeakPolarHBondContact O-CD2 3.18Å; N263-L448 HydrophobicContact CB-CD2 4.33Å; N263-L448 PolarHBondContact ND2-O 3.39Å; N445-L448 HydrophobicContact CB-CB 4.22Å; N445-L448 HydrophobicContact CB-CD1 3.84Å; N445-L448 HydrophobicContact CB-CG 3.94Å; N445-L448 WeakPolarHBondContact ND2-CD1 3.35Å; N445-L448 PolarHBondContact O-N 3.35Å; L448-G450 PolarHBondContact O-N 2.86Å
449	H	53.5	Low	57	Low	122 Å²	122	89.5 Å²	89.5	57%	0.565	46%	0.458	S	S	*	.	S	Bend	trans	-74.2	118.1	160.7	-59.1	-91.1	0	0	0	106.4	M305	M305-H449 WeakPolarHBondContact CE-O 3.39Å
450	G	47.1	Very low	54.1	Low	17 Å²	17	98.1 Å²	98.1	18%	0.175	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-67.2	173.9	175.6	0	0	0	0	0	111.1	L448 Y452	L448-G450 PolarHBondContact O-N 2.86Å; G450-Y452 PolarHBondContact O-N 3.3Å
451	P	42.8	Very low	51.7	Low	26 Å²	26	102.3 Å²	102.3	17%	0.169	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-54.2	132.8	170.3	23.4	-33.6	0	0	0	110.4	R269 M305	R269-P451 PolarHBondContact NH2-O 2.87Å; M305-P451 HydrophobicContact CG-CB 4.19Å
452	Y	42.8	Very low	49.3	Very low	167 Å²	167	111 Å²	111	66%	0.655	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-57.8	137.3	173.6	-73.8	-91.9	0	0	0	110.1	H308 G450 D454	H308-Y452 AromaticContact CE1-CD2 3.81Å; H308-Y452 AromaticContact CE1-CE2 3.87Å; H308-Y452 AromaticContact NE2-CD2 3.66Å; G450-Y452 PolarHBondContact O-N 3.3Å; Y452-D454 VanDerWaalsContact C-N 3.27Å; Y452-D454 PolarHBondContact O-N 3.09Å; Y452-D454 VanDerWaalsContact O-N 3.09Å
453	D	38	Very low	47.1	Very low	131 Å²	131	117.3 Å²	117.3	70%	0.701	59%	0.591	S	S	*	*			trans	-82	75.7	170.5	-98.7	-42.2	0	0	0	109.3	R269 G455	R269-D453 IonicContact NH1-OD2 2.67Å; D453-G455 PolarHBondContact O-N 3.24Å
454	D	39.9	Very low	45.3	Very low	167 Å²	167	117.6 Å²	117.6	89%	0.893	61%	0.605	S	S	*	*			trans	-81.5	68.2	174.4	-146.7	-53.4	0	0	0	109	Y452	Y452-D454 VanDerWaalsContact C-N 3.27Å; Y452-D454 PolarHBondContact O-N 3.09Å; Y452-D454 VanDerWaalsContact O-N 3.09Å
455	G	39.9	Very low	44.3	Very low	51 Å²	51	118.7 Å²	118.7	53%	0.526	61%	0.611	S	S	.	*	S	Bend	trans	167.6	109.7	-178.3	0	0	0	0	0	114.5	D453	D453-G455 PolarHBondContact O-N 3.24Å
456	D	36.6	Very low	43.7	Very low	170 Å²	170	122.1 Å²	122.1	91%	0.909	62%	0.623	S	S	*	*	S	Bend	trans	77.3	28.7	166.9	-57.2	-16.6	0	0	0	119.3
457	E	36.4	Very low	43.6	Very low	190 Å²	190	130.5 Å²	130.5	89%	0.888	66%	0.656	S	S	*	*			trans	-120.9	125	149.7	-72	-172.5	163.1	0	0	110.1
458	E	37.1	Very low	44	Very low	188 Å²	188	130.7 Å²	130.7	88%	0.879	67%	0.665	S	S	*	*			trans	-88.9	136.4	-176.4	-65.1	-177.9	131.3	0	0	111.4	E460	E458-E460 PolarHBondContact O-N 3.39Å
459	E	42.2	Very low	45.4	Very low	203 Å²	203	128.8 Å²	128.8	95%	0.949	66%	0.659	S	S	*	*	S	Bend	trans	17.7	57.6	161.1	-59.3	-169.5	148.1	0	0	119.9
460	E	30.9	Very low	47	Very low	185 Å²	185	123.4 Å²	123.4	86%	0.864	63%	0.634	S	S	*	*			trans	-110.7	116.9	150.6	-84.1	-178.3	-172.3	0	0	109.7	E458 E462	E458-E460 PolarHBondContact O-N 3.39Å; E460-E462 PolarHBondContact O-N 2.87Å
461	E	39.2	Very low	48.9	Very low	185 Å²	185	127.3 Å²	127.3	86%	0.864	65%	0.646	S	S	*	*			trans	-73.4	118.2	173.4	-62.9	-172.6	124	0	0	108.6	E463	E461-E463 PolarHBondContact O-N 2.97Å
462	E	38.4	Very low	51.1	Low	190 Å²	190	133.6 Å²	133.6	89%	0.888	67%	0.673	S	S	*	*			trans	-63.1	82.1	157.8	-87.6	-162.9	144.8	0	0	107.8	E460 G464	E460-E462 PolarHBondContact O-N 2.87Å; E462-G464 VanDerWaalsContact C-N 3.32Å; E462-G464 PolarHBondContact O-N 2.91Å
463	E	38.4	Very low	53.4	Low	137 Å²	137	133.1 Å²	133.1	64%	0.64	68%	0.677	S	S	*	*			trans	-52.4	101.6	159.1	-100.2	-132.3	135.7	0	0	106.1	E461 N465 K466	E461-E463 PolarHBondContact O-N 2.97Å; E463-N465 PolarHBondContact O-N 2.96Å; E463-K466 IonicContact OE1-NZ 2.82Å; E463-K466 PolarHBondContact OE1-NZ 2.84Å; E463-K466 IonicContact OE2-NZ 2.65Å; E463-K466 PolarHBondContact OE2-NZ 3.21Å
464	G	39.9	Very low	56	Low	65 Å²	65	129 Å²	129	67%	0.67	65%	0.653	S	S	*	*			trans	-55.4	111.5	-171.3	0	0	0	0	0	110.7	E462 K466	E462-G464 VanDerWaalsContact C-N 3.32Å; E462-G464 PolarHBondContact O-N 2.91Å; G464-K466 PolarHBondContact O-N 3.29Å
465	N	42.2	Very low	58.6	Low	104 Å²	104	126 Å²	126	56%	0.556	63%	0.63	S	S	*	*			trans	-38.3	106.4	-170.9	-87.2	99.1	0	0	0	111.4	E463 K467	E463-N465 PolarHBondContact O-N 2.96Å; N465-K467 PolarHBondContact O-N 3.15Å; N465-K467 VanDerWaalsContact O-N 3.08Å
466	K	54.4	Low	61.1	Low	125 Å²	125	128.6 Å²	128.6	54%	0.543	63%	0.632	S	S	.	*			trans	-58.1	119.1	174.6	-69.9	159.9	-172.4	135.2	0	105.8	E463 G464 G468 S469	E463-K466 IonicContact OE1-NZ 2.82Å; E463-K466 PolarHBondContact OE1-NZ 2.84Å; E463-K466 IonicContact OE2-NZ 2.65Å; E463-K466 PolarHBondContact OE2-NZ 3.21Å; G464-K466 PolarHBondContact O-N 3.29Å; K466-G468 PolarHBondContact O-N 3.07Å; K466-S469 PolarHBondContact O-N 3.48Å; K466-S469 PolarHBondContact O-OG 3.15Å
467	K	57.5	Low	63.9	Low	214 Å²	214	126 Å²	126	93%	0.93	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	96.4	-170.1	-176.5	-168.3	172.9	-169.6	0	109.9	N465	N465-K467 PolarHBondContact O-N 3.15Å; N465-K467 VanDerWaalsContact O-N 3.08Å
468	G	70.8	Confident	66.8	Low	29 Å²	29	117 Å²	117	30%	0.299	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	117.6	19.3	-169.1	0	0	0	0	0	115.3	K466 E504 A505	K466-G468 PolarHBondContact O-N 3.07Å; G468-E504 VanDerWaalsContact CA-O 3.25Å; G468-E504 WeakPolarHBondContact CA-O 3.5Å; G468-A505 WeakPolarHBondContact O-CA 3.34Å
469	S	84.4	Confident	69.5	Low	39 Å²	39	110.1 Å²	110.1	27%	0.273	54%	0.538	S	S	.	.			trans	-109.7	157	162.7	74.2	0	0	0	0	111.1	K466 E508	K466-S469 PolarHBondContact O-N 3.48Å; K466-S469 PolarHBondContact O-OG 3.15Å; S469-E508 VanDerWaalsContact CA-OE2 3.28Å; S469-E508 WeakPolarHBondContact CA-OE2 3.36Å; S469-E508 WeakPolarHBondContact CB-OE2 3.42Å
470	L	87.2	Confident	72	Confident	9 Å²	9	107.5 Å²	107.5	5%	0.047	53%	0.526	C	S	.	.			trans	-68.6	166	166.1	-67	176	0	0	0	110.2	E474 R475 L478 H502 A505 E508 I509	L470-E474 HydrophobicContact CB-CB 4.35Å; L470-E474 HydrophobicContact CD2-CB 4.24Å; L470-R475 HydrophobicContact CB-CB 4.29Å; L470-R475 HydrophobicContact CD1-CB 4.08Å; L470-L478 HydrophobicContact CD1-CD2 3.99Å; L470-H502 HydrophobicContact CD2-CB 3.91Å; L470-A505 HydrophobicContact CD2-CB 3.75Å; L470-A505 HydrophobicContact CG-CB 3.81Å; L470-E508 PolarHBondContact N-OE2 3.11Å; L470-I509 HydrophobicContact CD1-CG1 3.97Å; L470-I509 HydrophobicContact CD2-CD1 4.15Å; L470-I509 HydrophobicContact CD2-CG1 4.23Å; L470-I509 HydrophobicContact CG-CG1 4.24Å
471	K	88.6	Confident	75.1	Confident	99 Å²	99	100.6 Å²	100.6	43%	0.43	49%	0.494	S	S	.	.			trans	-81.4	159.5	156	-59.9	180	-159.1	131.4	0	110.6	E473 E474 R475	K471-E473 PolarHBondContact O-N 2.89Å; K471-E474 HydrophobicContact CB-CB 4.34Å; K471-E474 HydrophobicContact CB-CG 4.17Å; K471-E474 WeakPolarHBondContact CE-OE1 3.34Å; K471-E474 PolarHBondContact N-OE2 3.2Å; K471-E474 VanDerWaalsContact N-OE2 3.17Å; K471-E474 IonicContact NZ-OE1 3.08Å; K471-E474 PolarHBondContact NZ-OE1 2.91Å; K471-E474 WeakPolarHBondContact O-CA 3.34Å; K471-E474 WeakPolarHBondContact O-CB 3.44Å; K471-E474 PolarHBondContact O-N 3.32Å; K471-R475 PolarHBondContact O-N 2.87Å
472	E	88.7	Confident	77.8	Confident	157 Å²	157	92 Å²	92	73%	0.734	45%	0.454	S	S	*	.	H	α-helix	trans	-56.7	-46	175.6	-169	159.8	-151	0	0	112.3	E474 R475 D476	E472-E474 PolarHBondContact O-N 2.85Å; E472-R475 PolarHBondContact O-N 3.4Å; E472-D476 WeakPolarHBondContact O-CB 3.34Å; E472-D476 PolarHBondContact O-N 2.95Å
473	E	90.8	Very high	80.5	Confident	157 Å²	157	90.3 Å²	90.3	73%	0.734	44%	0.44	S	S	*	.	H	α-helix	trans	-55.1	-36.6	172.9	-60.6	-172.9	140.2	0	0	113.7	K471 K477	K471-E473 PolarHBondContact O-N 2.89Å; E473-K477 VanDerWaalsContact O-CB 3.23Å; E473-K477 WeakPolarHBondContact O-CB 3.45Å; E473-K477 PolarHBondContact O-N 3.24Å
474	E	92.3	Very high	83	Confident	44 Å²	44	86.3 Å²	86.3	21%	0.206	44%	0.435	C	S	.	.	H	α-helix	trans	-81.1	-34.9	-176.2	-67	162.7	-177.9	0	0	110.6	L470 K471 E472 L478 F498	L470-E474 HydrophobicContact CB-CB 4.35Å; L470-E474 HydrophobicContact CD2-CB 4.24Å; K471-E474 HydrophobicContact CB-CB 4.34Å; K471-E474 HydrophobicContact CB-CG 4.17Å; K471-E474 WeakPolarHBondContact CE-OE1 3.34Å; K471-E474 PolarHBondContact N-OE2 3.2Å; K471-E474 VanDerWaalsContact N-OE2 3.17Å; K471-E474 IonicContact NZ-OE1 3.08Å; K471-E474 PolarHBondContact NZ-OE1 2.91Å; K471-E474 WeakPolarHBondContact O-CA 3.34Å; K471-E474 WeakPolarHBondContact O-CB 3.44Å; K471-E474 PolarHBondContact O-N 3.32Å; E472-E474 PolarHBondContact O-N 2.85Å; E474-L478 PolarHBondContact O-N 3.3Å; E474-F498 HydrophobicContact CB-CZ 4.46Å; E474-F498 WeakPolarHBondContact O-CZ 3.06Å
475	R	94	Very high	85.7	Confident	104 Å²	104	83.6 Å²	83.6	39%	0.392	41%	0.405	S	S	.	.	H	α-helix	trans	-67.5	-48.5	171.4	179.8	-173.6	165.3	178.8	-0	111.9	L470 K471 E472 K477 L478 E479	L470-R475 HydrophobicContact CB-CB 4.29Å; L470-R475 HydrophobicContact CD1-CB 4.08Å; K471-R475 PolarHBondContact O-N 2.87Å; E472-R475 PolarHBondContact O-N 3.4Å; R475-K477 PolarHBondContact O-N 2.97Å; R475-L478 WeakPolarHBondContact O-CB 3.34Å; R475-L478 PolarHBondContact O-N 3.01Å; R475-L478 VanDerWaalsContact O-N 3.08Å; R475-E479 PolarHBondContact O-N 3.43Å
476	D	93.9	Very high	88.2	Confident	106 Å²	106	80 Å²	80	57%	0.567	39%	0.388	S	S	*	.	H	α-helix	trans	-59.2	-39.5	177.4	-110.3	10.8	0	0	0	111.1	E472 E479 E480	E472-D476 WeakPolarHBondContact O-CB 3.34Å; E472-D476 PolarHBondContact O-N 2.95Å; D476-E479 WeakPolarHBondContact O-CB 3.48Å; D476-E479 PolarHBondContact O-N 3.47Å; D476-E480 PolarHBondContact O-N 3.16Å
477	K	95.1	Very high	90	Very high	115 Å²	115	76.6 Å²	76.6	50%	0.5	38%	0.379	S	S	.	.	H	α-helix	trans	-65.3	-43	173.1	179.7	175.8	175.4	-177.5	0	112.8	E473 R475 E479 E480 M481 F498	E473-K477 VanDerWaalsContact O-CB 3.23Å; E473-K477 WeakPolarHBondContact O-CB 3.45Å; E473-K477 PolarHBondContact O-N 3.24Å; R475-K477 PolarHBondContact O-N 2.97Å; K477-E479 VanDerWaalsContact C-N 3.31Å; K477-E479 PolarHBondContact O-N 3.43Å; K477-E480 PolarHBondContact O-N 3.3Å; K477-M481 HydrophobicContact CG-SD 4.44Å; K477-M481 WeakPolarHBondContact O-CB 3.24Å; K477-M481 VanDerWaalsContact O-CG 3.27Å; K477-M481 WeakPolarHBondContact O-CG 3.21Å; K477-M481 PolarHBondContact O-N 3.04Å; K477-F498 HydrophobicContact CD-CE2 4.04Å; K477-F498 HydrophobicContact CG-CE2 4.27Å
478	L	95.9	Very high	91.8	Very high	1 Å²	1	74.8 Å²	74.8	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-43.2	172.6	175.7	59.7	0	0	0	110.9	L470 E474 R475 M481 L482 F498 I509 C512	L470-L478 HydrophobicContact CD1-CD2 3.99Å; E474-L478 PolarHBondContact O-N 3.3Å; R475-L478 WeakPolarHBondContact O-CB 3.34Å; R475-L478 PolarHBondContact O-N 3.01Å; R475-L478 VanDerWaalsContact O-N 3.08Å; L478-M481 PolarHBondContact O-N 2.71Å; L478-L482 HydrophobicContact CD1-CD1 4.06Å; L478-L482 HydrophobicContact CD1-CG 4.12Å; L478-L482 HydrophobicContact CG-CD1 3.99Å; L478-L482 HydrophobicContact CG-CG 4.46Å; L478-L482 WeakPolarHBondContact O-CB 3.21Å; L478-L482 VanDerWaalsContact O-CG 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.99Å; L478-F498 HydrophobicContact CB-CD1 4.47Å; L478-F498 HydrophobicContact CB-CE1 3.79Å; L478-F498 HydrophobicContact CB-CZ 4.2Å; L478-F498 HydrophobicContact CD1-CD1 3.98Å; L478-F498 HydrophobicContact CD1-CE1 4.06Å; L478-F498 HydrophobicContact CD2-CE1 4.4Å; L478-F498 HydrophobicContact CG-CE1 4.29Å; L478-I509 HydrophobicContact CD2-CB 4.34Å; L478-I509 HydrophobicContact CD2-CG1 4.07Å; L478-I509 HydrophobicContact CD2-CG2 4.19Å; L478-C512 HydrophobicContact CD2-CB 3.87Å
479	E	94.9	Very high	92.8	Very high	44 Å²	44	83.8 Å²	83.8	21%	0.206	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174.9	-81	-139.5	-141.6	0	0	112.4	R475 D476 K477 M481 L482 R483	R475-E479 PolarHBondContact O-N 3.43Å; D476-E479 WeakPolarHBondContact O-CB 3.48Å; D476-E479 PolarHBondContact O-N 3.47Å; K477-E479 VanDerWaalsContact C-N 3.31Å; K477-E479 PolarHBondContact O-N 3.43Å; E479-M481 PolarHBondContact O-N 3.26Å; E479-L482 PolarHBondContact O-N 3Å; E479-R483 VanDerWaalsContact O-CB 3.24Å; E479-R483 WeakPolarHBondContact O-CB 3.36Å; E479-R483 WeakPolarHBondContact O-CD 3.46Å; E479-R483 WeakPolarHBondContact O-CG 3.37Å; E479-R483 PolarHBondContact O-N 3.36Å; E479-R483 IonicContact OE2-CZ 3.86Å; E479-R483 VanDerWaalsContact OE2-CZ 3.24Å; E479-R483 IonicContact OE2-NE 2.65Å; E479-R483 PolarHBondContact OE2-NE 3.12Å; E479-R483 IonicContact OE2-NH2 3.24Å; E479-R483 PolarHBondContact OE2-NH2 3.31Å
480	E	95.1	Very high	93.3	Very high	149 Å²	149	84.3 Å²	84.3	70%	0.696	40%	0.402	S	S	*	.	H	α-helix	trans	-60.8	-45.4	175	-172.5	176.4	-149.6	0	0	111.2	D476 K477 L482 R483 G484	D476-E480 PolarHBondContact O-N 3.16Å; K477-E480 PolarHBondContact O-N 3.3Å; E480-L482 PolarHBondContact O-N 3.47Å; E480-R483 CarbonylContact O-C 3.55Å; E480-R483 PolarHBondContact O-N 3.4Å; E480-G484 PolarHBondContact O-N 3.02Å
481	M	95.4	Very high	93.6	Very high	39 Å²	39	86.5 Å²	86.5	19%	0.192	41%	0.414	C	S	.	.	H	α-helix	trans	-59.2	-47.1	175.6	-70.5	-179.5	80.2	0	0	111.3	K477 L478 E479 R483 G484 L485 E494 A495 F498	K477-M481 HydrophobicContact CG-SD 4.44Å; K477-M481 WeakPolarHBondContact O-CB 3.24Å; K477-M481 VanDerWaalsContact O-CG 3.27Å; K477-M481 WeakPolarHBondContact O-CG 3.21Å; K477-M481 PolarHBondContact O-N 3.04Å; L478-M481 PolarHBondContact O-N 2.71Å; E479-M481 PolarHBondContact O-N 3.26Å; M481-R483 VanDerWaalsContact C-N 3.33Å; M481-R483 PolarHBondContact O-N 3.07Å; M481-G484 PolarHBondContact O-N 2.79Å; M481-L485 WeakPolarHBondContact O-CB 3.5Å; M481-L485 PolarHBondContact O-N 3.32Å; M481-E494 HydrophobicContact CE-CB 4.36Å; M481-E494 HydrophobicContact CE-CG 3.86Å; M481-A495 HydrophobicContact CE-CB 4.18Å; M481-F498 HydrophobicContact CE-CB 4.21Å; M481-F498 HydrophobicContact SD-CB 4.15Å; M481-F498 HydrophobicContact SD-CD2 4.07Å; M481-F498 HydrophobicContact SD-CG 4.12Å
482	L	95.9	Very high	94	Very high	4 Å²	4	82 Å²	82	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-34.9	175.9	-71.8	172.2	0	0	0	112.4	L478 E479 E480 C512 I513 R530 L533	L478-L482 HydrophobicContact CD1-CD1 4.06Å; L478-L482 HydrophobicContact CD1-CG 4.12Å; L478-L482 HydrophobicContact CG-CD1 3.99Å; L478-L482 HydrophobicContact CG-CG 4.46Å; L478-L482 WeakPolarHBondContact O-CB 3.21Å; L478-L482 VanDerWaalsContact O-CG 3.27Å; L478-L482 WeakPolarHBondContact O-CG 3.26Å; L478-L482 PolarHBondContact O-N 2.99Å; E479-L482 PolarHBondContact O-N 3Å; E480-L482 PolarHBondContact O-N 3.47Å; L482-C512 HydrophobicContact CD1-CB 4.46Å; L482-I513 HydrophobicContact CD1-CG1 4.16Å; L482-I513 HydrophobicContact CD2-CG1 4.15Å; L482-R530 HydrophobicContact CD2-CG 4.23Å; L482-R530 VanDerWaalsContact O-CZ 3.31Å; L482-R530 PolarHBondContact O-NE 3.03Å; L482-R530 PolarHBondContact O-NH2 2.85Å; L482-L533 HydrophobicContact CD2-CD2 3.63Å
483	R	94	Very high	94.2	Very high	156 Å²	156	76.1 Å²	76.1	59%	0.589	37%	0.373	S	S	*	.	H	α-helix	trans	-70.8	-34.9	175.1	-71.9	159.2	-174.3	-120.1	3.4	111.1	E479 E480 M481 K526	E479-R483 VanDerWaalsContact O-CB 3.24Å; E479-R483 WeakPolarHBondContact O-CB 3.36Å; E479-R483 WeakPolarHBondContact O-CD 3.46Å; E479-R483 WeakPolarHBondContact O-CG 3.37Å; E479-R483 PolarHBondContact O-N 3.36Å; E479-R483 IonicContact OE2-CZ 3.86Å; E479-R483 VanDerWaalsContact OE2-CZ 3.24Å; E479-R483 IonicContact OE2-NE 2.65Å; E479-R483 PolarHBondContact OE2-NE 3.12Å; E479-R483 IonicContact OE2-NH2 3.24Å; E479-R483 PolarHBondContact OE2-NH2 3.31Å; E480-R483 CarbonylContact O-C 3.55Å; E480-R483 PolarHBondContact O-N 3.4Å; M481-R483 VanDerWaalsContact C-N 3.33Å; M481-R483 PolarHBondContact O-N 3.07Å; R483-K526 PolarHBondContact O-NZ 3.34Å
484	G	92.8	Very high	94.5	Very high	53 Å²	53	75 Å²	75	55%	0.546	37%	0.368	S	S	.	.	H	α-helix	trans	-77.4	-33.1	175.8	0	0	0	0	0	114.6	E480 M481	E480-G484 PolarHBondContact O-N 3.02Å; M481-G484 PolarHBondContact O-N 2.79Å
485	L	95.5	Very high	94.7	Very high	7 Å²	7	73 Å²	73	4%	0.037	36%	0.359	C	S	.	.			trans	-45.5	132.7	-164.5	-159.4	68.6	0	0	0	115	M481 D491 V492 A495 A529 R530 L533	M481-L485 WeakPolarHBondContact O-CB 3.5Å; M481-L485 PolarHBondContact O-N 3.32Å; L485-D491 HydrophobicContact CD1-CB 4.34Å; L485-D491 WeakPolarHBondContact CD1-O 3.25Å; L485-V492 HydrophobicContact CD1-CG2 4.48Å; L485-A495 HydrophobicContact CD1-CB 3.89Å; L485-A529 HydrophobicContact CD2-CB 4Å; L485-A529 HydrophobicContact CG-CB 3.94Å; L485-R530 HydrophobicContact CD2-CG 3.99Å; L485-L533 HydrophobicContact CD2-CB 4.17Å; L485-L533 HydrophobicContact CD2-CD2 4.16Å
486	S	94.6	Very high	94.8	Very high	30 Å²	30	69.4 Å²	69.4	21%	0.21	35%	0.347	C	S	.	.			trans	-124.4	158.7	172.9	101.8	0	0	0	0	110.8	R488 D491 A529	S486-R488 PolarHBondContact O-N 2.88Å; S486-R488 WeakPolarHBondContact OG-CD 3.43Å; S486-R488 WeakPolarHBondContact OG-CG 3.11Å; S486-D491 VanDerWaalsContact CB-OD2 3.29Å; S486-D491 WeakPolarHBondContact CB-OD2 3.43Å; S486-D491 PolarHBondContact OG-OD2 2.93Å; S486-A529 VanDerWaalsContact C-CB 3.4Å
487	P	92.8	Very high	94.9	Very high	52 Å²	52	68.9 Å²	68.9	34%	0.338	34%	0.344	S	S	.	.	S	Bend	trans	-78.1	39.7	-175.5	34	-36.7	0	0	0	112.4	A529 Y532	P487-A529 HydrophobicContact CB-CB 4.07Å; P487-Y532 HydrophobicContact CB-CD2 4.2Å; P487-Y532 HydrophobicContact CB-CE2 4.19Å
488	R	94.6	Very high	94.9	Very high	176 Å²	176	64 Å²	64	66%	0.664	32%	0.323	S	S	*	.	S	Bend	trans	-99	138.9	174.2	-71	174.3	175.5	-154.7	-2.2	108.8	S486 G490 D491 V492	S486-R488 PolarHBondContact O-N 2.88Å; S486-R488 WeakPolarHBondContact OG-CD 3.43Å; S486-R488 WeakPolarHBondContact OG-CG 3.11Å; R488-G490 PolarHBondContact O-N 2.84Å; R488-G490 VanDerWaalsContact O-N 3.12Å; R488-D491 HydrophobicContact CB-CB 4.43Å; R488-D491 WeakPolarHBondContact CB-OD1 3.46Å; R488-D491 PolarHBondContact O-N 3.05Å; R488-V492 WeakPolarHBondContact O-CG2 3.25Å; R488-V492 PolarHBondContact O-N 2.7Å
489	R	92.4	Very high	94.9	Very high	219 Å²	219	64 Å²	64	83%	0.826	32%	0.322	S	S	*	.	H	α-helix	trans	-59.8	-24	-178.8	-170.6	173	-177.7	-91	-2.8	114.3	A493	R489-A493 WeakPolarHBondContact O-CB 3.18Å; R489-A493 PolarHBondContact O-N 3.07Å
490	G	94.1	Very high	94.9	Very high	49 Å²	49	62.6 Å²	62.6	51%	0.505	32%	0.317	S	S	.	.	H	α-helix	trans	-69.9	-62.3	173.1	0	0	0	0	0	111.1	R488 V492 A493 E494	R488-G490 PolarHBondContact O-N 2.84Å; R488-G490 VanDerWaalsContact O-N 3.12Å; G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 2.8Å; G490-A493 PolarHBondContact O-N 3.44Å; G490-E494 PolarHBondContact O-N 3.31Å
491	D	93.9	Very high	94.8	Very high	55 Å²	55	60.7 Å²	60.7	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-53.4	-43.5	-178.5	-38.8	17.3	0	0	0	112.1	L485 S486 R488 A495	L485-D491 HydrophobicContact CD1-CB 4.34Å; L485-D491 WeakPolarHBondContact CD1-O 3.25Å; S486-D491 VanDerWaalsContact CB-OD2 3.29Å; S486-D491 WeakPolarHBondContact CB-OD2 3.43Å; S486-D491 PolarHBondContact OG-OD2 2.93Å; R488-D491 HydrophobicContact CB-CB 4.43Å; R488-D491 WeakPolarHBondContact CB-OD1 3.46Å; R488-D491 PolarHBondContact O-N 3.05Å; D491-A495 PolarHBondContact O-N 2.83Å
492	V	96.6	Very high	94.8	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-40.3	177	178.1	0	0	0	0	111.8	L485 R488 G490 E494 A495 M496 L533 D536	L485-V492 HydrophobicContact CD1-CG2 4.48Å; R488-V492 WeakPolarHBondContact O-CG2 3.25Å; R488-V492 PolarHBondContact O-N 2.7Å; G490-V492 VanDerWaalsContact C-N 3.3Å; G490-V492 PolarHBondContact O-N 2.8Å; V492-E494 VanDerWaalsContact C-N 3.34Å; V492-E494 PolarHBondContact O-N 2.85Å; V492-A495 PolarHBondContact O-N 2.88Å; V492-M496 WeakPolarHBondContact O-CB 3.41Å; V492-M496 PolarHBondContact O-N 2.85Å; V492-L533 HydrophobicContact CG1-CB 4.39Å; V492-D536 HydrophobicContact CG1-CB 4.4Å
493	A	94.4	Very high	94.7	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	31%	0.311	S	S	.	.	H	α-helix	trans	-69.4	-31.2	178.3	0	0	0	0	0	112.8	R489 G490 M496 L497	R489-A493 WeakPolarHBondContact O-CB 3.18Å; R489-A493 PolarHBondContact O-N 3.07Å; G490-A493 PolarHBondContact O-N 3.44Å; A493-M496 HydrophobicContact CB-CE 4.38Å; A493-L497 VanDerWaalsContact O-CB 3.28Å; A493-L497 WeakPolarHBondContact O-CB 3.26Å; A493-L497 PolarHBondContact O-N 3.44Å
494	E	96.1	Very high	94.6	Very high	132 Å²	132	59.5 Å²	59.5	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-67.1	-45.1	174.3	-167.3	176.6	174.2	0	0	111.3	M481 G490 V492 L497 F498	M481-E494 HydrophobicContact CE-CB 4.36Å; M481-E494 HydrophobicContact CE-CG 3.86Å; G490-E494 PolarHBondContact O-N 3.31Å; V492-E494 VanDerWaalsContact C-N 3.34Å; V492-E494 PolarHBondContact O-N 2.85Å; E494-L497 PolarHBondContact O-N 3.12Å; E494-F498 PolarHBondContact O-N 2.97Å
495	A	96.8	Very high	94.6	Very high	2 Å²	2	57 Å²	57	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-39.2	174	0	0	0	0	0	112.7	M481 L485 D491 V492 F498 C499 L533	M481-A495 HydrophobicContact CE-CB 4.18Å; L485-A495 HydrophobicContact CD1-CB 3.89Å; D491-A495 PolarHBondContact O-N 2.83Å; V492-A495 PolarHBondContact O-N 2.88Å; A495-F498 WeakPolarHBondContact O-CB 3.24Å; A495-F498 PolarHBondContact O-N 2.93Å; A495-C499 PolarHBondContact O-N 2.78Å; A495-C499 PolarHBondContact O-SG 2.87Å; A495-L533 HydrophobicContact CB-CD1 3.76Å; A495-L533 HydrophobicContact CB-CD2 3.88Å; A495-L533 HydrophobicContact CB-CG 4.44Å
496	M	96.2	Very high	94.6	Very high	29 Å²	29	56.8 Å²	56.8	14%	0.143	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-39.5	175.4	173	-96.7	-66.2	0	0	111.9	V492 A493 F498 C499 L500 L533 D536 V537	V492-M496 WeakPolarHBondContact O-CB 3.41Å; V492-M496 PolarHBondContact O-N 2.85Å; A493-M496 HydrophobicContact CB-CE 4.38Å; M496-F498 VanDerWaalsContact C-N 3.33Å; M496-F498 PolarHBondContact O-N 3.16Å; M496-C499 PolarHBondContact O-N 2.82Å; M496-L500 HydrophobicContact CG-CD1 4.32Å; M496-L500 WeakPolarHBondContact O-CG 3.41Å; M496-L500 PolarHBondContact O-N 3.42Å; M496-L500 HydrophobicContact SD-CD1 3.5Å; M496-L500 WeakPolarHBondContact SD-CD1 3.31Å; M496-L500 HydrophobicContact SD-CG 4.33Å; M496-L533 HydrophobicContact CB-CD1 3.85Å; M496-L533 VanDerWaalsContact N-CD1 3.31Å; M496-D536 HydrophobicContact CB-CB 4.26Å; M496-D536 HydrophobicContact CE-CB 4.45Å; M496-D536 HydrophobicContact CG-CB 4.02Å; M496-V537 HydrophobicContact CB-CG2 4.19Å; M496-V537 HydrophobicContact CG-CG2 3.95Å
497	L	95	Very high	94.6	Very high	96 Å²	96	60 Å²	60	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-38.7	173	179.7	61.2	0	0	0	111.8	A493 E494 L500 N501	A493-L497 VanDerWaalsContact O-CB 3.28Å; A493-L497 WeakPolarHBondContact O-CB 3.26Å; A493-L497 PolarHBondContact O-N 3.44Å; E494-L497 PolarHBondContact O-N 3.12Å; L497-L500 PolarHBondContact O-N 3.27Å; L497-N501 WeakPolarHBondContact O-CB 3.42Å; L497-N501 PolarHBondContact O-N 2.86Å; L497-N501 PolarHBondContact O-ND2 2.77Å
498	F	96.3	Very high	94.7	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.053	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-49	171.8	-179.6	-82.7	0	0	0	111.2	E474 K477 L478 M481 E494 A495 M496 L500 N501 H502	E474-F498 HydrophobicContact CB-CZ 4.46Å; E474-F498 WeakPolarHBondContact O-CZ 3.06Å; K477-F498 HydrophobicContact CD-CE2 4.04Å; K477-F498 HydrophobicContact CG-CE2 4.27Å; L478-F498 HydrophobicContact CB-CD1 4.47Å; L478-F498 HydrophobicContact CB-CE1 3.79Å; L478-F498 HydrophobicContact CB-CZ 4.2Å; L478-F498 HydrophobicContact CD1-CD1 3.98Å; L478-F498 HydrophobicContact CD1-CE1 4.06Å; L478-F498 HydrophobicContact CD2-CE1 4.4Å; L478-F498 HydrophobicContact CG-CE1 4.29Å; M481-F498 HydrophobicContact CE-CB 4.21Å; M481-F498 HydrophobicContact SD-CB 4.15Å; M481-F498 HydrophobicContact SD-CD2 4.07Å; M481-F498 HydrophobicContact SD-CG 4.12Å; E494-F498 PolarHBondContact O-N 2.97Å; A495-F498 WeakPolarHBondContact O-CB 3.24Å; A495-F498 PolarHBondContact O-N 2.93Å; M496-F498 VanDerWaalsContact C-N 3.33Å; M496-F498 PolarHBondContact O-N 3.16Å; F498-L500 PolarHBondContact O-N 2.88Å; F498-N501 PolarHBondContact O-N 2.96Å; F498-H502 AromaticContact CD1-ND1 3.87Å; F498-H502 AromaticContact CD2-CE1 3.52Å; F498-H502 AromaticContact CD2-ND1 3.75Å; F498-H502 AromaticContact CE1-ND1 3.71Å; F498-H502 AromaticContact CE2-CE1 3.26Å; F498-H502 WeakPolarHBondContact CE2-CE1 3.16Å; F498-H502 AromaticContact CE2-ND1 3.61Å; F498-H502 AromaticContact CG-ND1 3.87Å; F498-H502 AromaticContact CZ-CE1 3.64Å; F498-H502 AromaticContact CZ-ND1 3.58Å; F498-H502 PolarHBondContact O-N 3.24Å; F498-H502 PolarHBondContact O-ND1 2.95Å
499	C	96.1	Very high	94.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-42.3	178.5	-61	0	0	0	0	112.6	A495 M496 H502 A503 I509 V537 Y551	A495-C499 PolarHBondContact O-N 2.78Å; A495-C499 PolarHBondContact O-SG 2.87Å; M496-C499 PolarHBondContact O-N 2.82Å; C499-H502 CarbonylContact O-C 3.56Å; C499-H502 PolarHBondContact O-N 3.12Å; C499-A503 PolarHBondContact O-N 2.81Å; C499-I509 HydrophobicContact CB-CG2 4.16Å; C499-V537 HydrophobicContact CB-CG2 3.8Å; C499-Y551 PolarHBondContact O-OH 3.34Å
500	L	93.9	Very high	95	Very high	16 Å²	16	40.8 Å²	40.8	8%	0.084	22%	0.22	C	C	.	.	H	α-helix	trans	-69.4	-33.3	179.1	-68.2	175.9	0	0	0	113	M496 L497 F498 A503 N540 A548	M496-L500 HydrophobicContact CG-CD1 4.32Å; M496-L500 WeakPolarHBondContact O-CG 3.41Å; M496-L500 PolarHBondContact O-N 3.42Å; M496-L500 HydrophobicContact SD-CD1 3.5Å; M496-L500 WeakPolarHBondContact SD-CD1 3.31Å; M496-L500 HydrophobicContact SD-CG 4.33Å; L497-L500 PolarHBondContact O-N 3.27Å; F498-L500 PolarHBondContact O-N 2.88Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; L500-N540 HydrophobicContact CD1-CB 3.72Å; L500-N540 HydrophobicContact CD2-CB 4.07Å; L500-N540 HydrophobicContact CG-CB 4.45Å; L500-A548 HydrophobicContact CD2-CB 4.06Å
501	N	94.2	Very high	95.1	Very high	108 Å²	108	42.1 Å²	42.1	58%	0.578	21%	0.213	S	C	*	.	H	α-helix	trans	-69	-35.4	176.7	-72.1	-18	0	0	0	112.4	L497 F498	L497-N501 WeakPolarHBondContact O-CB 3.42Å; L497-N501 PolarHBondContact O-N 2.86Å; L497-N501 PolarHBondContact O-ND2 2.77Å; F498-N501 PolarHBondContact O-N 2.96Å
502	H	94.3	Very high	95.2	Very high	40 Å²	40	40.1 Å²	40.1	19%	0.185	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	28.9	179.6	-49.9	87	0	0	0	112	L470 F498 C499 E504 A505 I509	L470-H502 HydrophobicContact CD2-CB 3.91Å; F498-H502 AromaticContact CD1-ND1 3.87Å; F498-H502 AromaticContact CD2-CE1 3.52Å; F498-H502 AromaticContact CD2-ND1 3.75Å; F498-H502 AromaticContact CE1-ND1 3.71Å; F498-H502 AromaticContact CE2-CE1 3.26Å; F498-H502 WeakPolarHBondContact CE2-CE1 3.16Å; F498-H502 AromaticContact CE2-ND1 3.61Å; F498-H502 AromaticContact CG-ND1 3.87Å; F498-H502 AromaticContact CZ-CE1 3.64Å; F498-H502 AromaticContact CZ-ND1 3.58Å; F498-H502 PolarHBondContact O-N 3.24Å; F498-H502 PolarHBondContact O-ND1 2.95Å; C499-H502 CarbonylContact O-C 3.56Å; C499-H502 PolarHBondContact O-N 3.12Å; H502-E504 PolarHBondContact O-N 2.61Å; H502-A505 PolarHBondContact O-N 3.01Å; H502-I509 HydrophobicContact CB-CD1 3.94Å; H502-I509 VanDerWaalsContact O-CD1 3.28Å; H502-I509 WeakPolarHBondContact O-CD1 3.25Å
503	A	93.3	Very high	95.2	Very high	3 Å²	3	40 Å²	40	3%	0.025	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-62.7	-8	-175	0	0	0	0	0	114.9	C499 L500 A505 A506 N547 A548 Y551	C499-A503 PolarHBondContact O-N 2.81Å; L500-A503 WeakPolarHBondContact O-CB 3.47Å; A503-A505 VanDerWaalsContact C-N 3.32Å; A503-A506 WeakPolarHBondContact O-CB 3.49Å; A503-N547 HydrophobicContact CB-CB 4.32Å; A503-N547 WeakPolarHBondContact O-CB 3.41Å; A503-A548 HydrophobicContact CB-CB 4.35Å; A503-Y551 HydrophobicContact CB-CE2 3.86Å
504	E	91.9	Very high	95.3	Very high	132 Å²	132	38.9 Å²	38.9	62%	0.617	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-68	-29.7	166.3	63	-168	156.8	0	0	113.4	G468 H502 A506 N547	G468-E504 VanDerWaalsContact CA-O 3.25Å; G468-E504 WeakPolarHBondContact CA-O 3.5Å; H502-E504 PolarHBondContact O-N 2.61Å; E504-A506 VanDerWaalsContact C-N 3.34Å; E504-N547 WeakPolarHBondContact CA-ND2 3.05Å; E504-N547 WeakPolarHBondContact CB-ND2 3.27Å
505	A	94.4	Very high	95.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-96	29.5	175.2	0	0	0	0	0	113.3	G468 L470 H502 A503 E507 E508 I509	G468-A505 WeakPolarHBondContact O-CA 3.34Å; L470-A505 HydrophobicContact CD2-CB 3.75Å; L470-A505 HydrophobicContact CG-CB 3.81Å; H502-A505 PolarHBondContact O-N 3.01Å; A503-A505 VanDerWaalsContact C-N 3.32Å; A505-E507 PolarHBondContact O-N 3.46Å; A505-E507 VanDerWaalsContact O-N 3.11Å; A505-E508 PolarHBondContact O-N 3.27Å; A505-I509 HydrophobicContact CB-CD1 4.19Å; A505-I509 HydrophobicContact CB-CG1 4.5Å; A505-I509 WeakPolarHBondContact O-CD1 3.28Å; A505-I509 VanDerWaalsContact O-CG1 3.26Å; A505-I509 WeakPolarHBondContact O-CG1 3.43Å; A505-I509 PolarHBondContact O-N 3.3Å
506	A	95	Very high	95.2	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-28.9	-172.7	0	0	0	0	0	114.3	A503 E504 V510 Y551 Y554	A503-A506 WeakPolarHBondContact O-CB 3.49Å; E504-A506 VanDerWaalsContact C-N 3.34Å; A506-V510 WeakPolarHBondContact O-CB 3.49Å; A506-V510 WeakPolarHBondContact O-CG2 3.15Å; A506-V510 PolarHBondContact O-N 2.89Å; A506-V510 VanDerWaalsContact O-N 3.1Å; A506-Y551 HydrophobicContact CB-CD1 3.9Å; A506-Y551 HydrophobicContact CB-CD2 4.36Å; A506-Y551 HydrophobicContact CB-CE1 3.64Å; A506-Y551 HydrophobicContact CB-CE2 4.14Å; A506-Y551 HydrophobicContact CB-CG 4.23Å; A506-Y554 HydrophobicContact CB-CD2 4.02Å; A506-Y554 HydrophobicContact CB-CE2 4.27Å
507	E	94.9	Very high	95.2	Very high	98 Å²	98	37.3 Å²	37.3	46%	0.458	19%	0.185	S	C	.	.	H	α-helix	trans	-65.8	-57.4	177.9	-167.3	150.4	-161.4	0	0	111.1	A505 I509 V510 E511 Y554	A505-E507 PolarHBondContact O-N 3.46Å; A505-E507 VanDerWaalsContact O-N 3.11Å; E507-I509 VanDerWaalsContact C-N 3.33Å; E507-I509 PolarHBondContact O-N 2.76Å; E507-V510 PolarHBondContact O-N 3.21Å; E507-V510 VanDerWaalsContact O-N 3.15Å; E507-E511 PolarHBondContact O-N 3.21Å; E507-Y554 HydrophobicContact CB-CD1 4.09Å; E507-Y554 HydrophobicContact CB-CD2 4.18Å; E507-Y554 HydrophobicContact CB-CE1 3.77Å; E507-Y554 HydrophobicContact CB-CE2 3.85Å; E507-Y554 HydrophobicContact CB-CG 4.29Å; E507-Y554 HydrophobicContact CG-CD1 3.82Å; E507-Y554 HydrophobicContact CG-CE1 3.53Å; E507-Y554 HydrophobicContact CG-CG 4.45Å; E507-Y554 VanDerWaalsContact OE1-CE1 3.3Å; E507-Y554 WeakPolarHBondContact OE1-CE1 3.33Å; E507-Y554 WeakPolarHBondContact OE2-CE1 3.38Å; E507-Y554 PolarHBondContact OE2-OH 2.81Å
508	E	95.1	Very high	95.2	Very high	41 Å²	41	34.5 Å²	34.5	19%	0.192	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-38.2	178	-174.3	-177.5	169.3	0	0	112.6	S469 L470 A505 V510 E511 C512	S469-E508 VanDerWaalsContact CA-OE2 3.28Å; S469-E508 WeakPolarHBondContact CA-OE2 3.36Å; S469-E508 WeakPolarHBondContact CB-OE2 3.42Å; L470-E508 PolarHBondContact N-OE2 3.11Å; A505-E508 PolarHBondContact O-N 3.27Å; E508-V510 VanDerWaalsContact C-N 3.33Å; E508-V510 PolarHBondContact O-N 2.85Å; E508-E511 PolarHBondContact O-N 2.94Å; E508-C512 WeakPolarHBondContact O-CB 3.33Å; E508-C512 PolarHBondContact O-N 3.16Å; E508-C512 PolarHBondContact O-SG 3.16Å
509	I	96.4	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176	-67.3	166.4	0	0	0	110.8	L470 L478 C499 H502 A505 E507 I513 Y551	L470-I509 HydrophobicContact CD1-CG1 3.97Å; L470-I509 HydrophobicContact CD2-CD1 4.15Å; L470-I509 HydrophobicContact CD2-CG1 4.23Å; L470-I509 HydrophobicContact CG-CG1 4.24Å; L478-I509 HydrophobicContact CD2-CB 4.34Å; L478-I509 HydrophobicContact CD2-CG1 4.07Å; L478-I509 HydrophobicContact CD2-CG2 4.19Å; C499-I509 HydrophobicContact CB-CG2 4.16Å; H502-I509 HydrophobicContact CB-CD1 3.94Å; H502-I509 VanDerWaalsContact O-CD1 3.28Å; H502-I509 WeakPolarHBondContact O-CD1 3.25Å; A505-I509 HydrophobicContact CB-CD1 4.19Å; A505-I509 HydrophobicContact CB-CG1 4.5Å; A505-I509 WeakPolarHBondContact O-CD1 3.28Å; A505-I509 VanDerWaalsContact O-CG1 3.26Å; A505-I509 WeakPolarHBondContact O-CG1 3.43Å; A505-I509 PolarHBondContact O-N 3.3Å; E507-I509 VanDerWaalsContact C-N 3.33Å; E507-I509 PolarHBondContact O-N 2.76Å; I509-I513 HydrophobicContact CG2-CD1 3.93Å; I509-I513 WeakPolarHBondContact O-CB 3.46Å; I509-I513 WeakPolarHBondContact O-CD1 3.46Å; I509-I513 VanDerWaalsContact O-CG1 3.22Å; I509-I513 WeakPolarHBondContact O-CG1 3.26Å; I509-I513 PolarHBondContact O-N 2.88Å; I509-Y551 HydrophobicContact CB-CE1 4.19Å; I509-Y551 WeakPolarHBondContact CD1-OH 3.32Å; I509-Y551 HydrophobicContact CG2-CE1 3.89Å
510	V	96.8	Very high	94.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-38.2	175.2	166.7	0	0	0	0	111.3	A506 E507 E508 I513 T514 Y551 F555 K558	A506-V510 WeakPolarHBondContact O-CB 3.49Å; A506-V510 WeakPolarHBondContact O-CG2 3.15Å; A506-V510 PolarHBondContact O-N 2.89Å; A506-V510 VanDerWaalsContact O-N 3.1Å; E507-V510 PolarHBondContact O-N 3.21Å; E507-V510 VanDerWaalsContact O-N 3.15Å; E508-V510 VanDerWaalsContact C-N 3.33Å; E508-V510 PolarHBondContact O-N 2.85Å; V510-I513 PolarHBondContact O-N 3.35Å; V510-T514 VanDerWaalsContact O-CB 3.32Å; V510-T514 WeakPolarHBondContact O-CB 3.27Å; V510-T514 PolarHBondContact O-N 2.94Å; V510-T514 PolarHBondContact O-OG1 3.1Å; V510-Y551 HydrophobicContact CG2-CD1 3.68Å; V510-Y551 HydrophobicContact CG2-CE1 4.08Å; V510-F555 HydrophobicContact CB-CD1 4.46Å; V510-F555 HydrophobicContact CB-CE1 4.26Å; V510-F555 HydrophobicContact CG1-CD1 3.71Å; V510-F555 HydrophobicContact CG1-CE1 3.87Å; V510-F555 HydrophobicContact CG1-CG 4.28Å; V510-F555 HydrophobicContact CG2-CD1 4.02Å; V510-F555 HydrophobicContact CG2-CD2 3.96Å; V510-F555 HydrophobicContact CG2-CE1 3.82Å; V510-F555 HydrophobicContact CG2-CE2 3.78Å; V510-F555 HydrophobicContact CG2-CG 4.07Å; V510-F555 HydrophobicContact CG2-CZ 3.71Å; V510-K558 HydrophobicContact CG1-CB 4.29Å; V510-K558 HydrophobicContact CG1-CG 3.82Å
511	E	95.6	Very high	94.7	Very high	78 Å²	78	52 Å²	52	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-49.2	175.4	-66.9	-165	136.9	0	0	112	E507 E508 I513 T514 E515 K558	E507-E511 PolarHBondContact O-N 3.21Å; E508-E511 PolarHBondContact O-N 2.94Å; E511-I513 VanDerWaalsContact C-N 3.29Å; E511-I513 PolarHBondContact O-N 3.04Å; E511-T514 WeakPolarHBondContact O-CA 3.44Å; E511-T514 WeakPolarHBondContact O-CB 3.5Å; E511-T514 PolarHBondContact O-N 3.13Å; E511-E515 PolarHBondContact O-N 3.45Å; E511-K558 WeakPolarHBondContact OE1-CE 3.29Å; E511-K558 IonicContact OE1-NZ 2.79Å; E511-K558 PolarHBondContact OE1-NZ 3.45Å
512	C	95.9	Very high	94.7	Very high	13 Å²	13	47.6 Å²	47.6	9%	0.088	23%	0.233	C	C	.	.	H	α-helix	trans	-55.4	-42.7	175.1	-68	0	0	0	0	112.3	L478 L482 E508 S516	L478-C512 HydrophobicContact CD2-CB 3.87Å; L482-C512 HydrophobicContact CD1-CB 4.46Å; E508-C512 WeakPolarHBondContact O-CB 3.33Å; E508-C512 PolarHBondContact O-N 3.16Å; E508-C512 PolarHBondContact O-SG 3.16Å; C512-S516 VanDerWaalsContact O-CB 3.3Å; C512-S516 WeakPolarHBondContact O-CB 3.49Å; C512-S516 PolarHBondContact O-N 2.87Å; C512-S516 VanDerWaalsContact O-N 3.14Å
513	I	96.6	Very high	94.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.8	-42.8	175.6	-67.9	166.7	0	0	0	110.8	L482 I509 V510 E511 S516 L517 L533 V534 F555	L482-I513 HydrophobicContact CD1-CG1 4.16Å; L482-I513 HydrophobicContact CD2-CG1 4.15Å; I509-I513 HydrophobicContact CG2-CD1 3.93Å; I509-I513 WeakPolarHBondContact O-CB 3.46Å; I509-I513 WeakPolarHBondContact O-CD1 3.46Å; I509-I513 VanDerWaalsContact O-CG1 3.22Å; I509-I513 WeakPolarHBondContact O-CG1 3.26Å; I509-I513 PolarHBondContact O-N 2.88Å; V510-I513 PolarHBondContact O-N 3.35Å; E511-I513 VanDerWaalsContact C-N 3.29Å; E511-I513 PolarHBondContact O-N 3.04Å; I513-S516 PolarHBondContact O-N 3.26Å; I513-S516 PolarHBondContact O-OG 3.47Å; I513-L517 HydrophobicContact CG2-CD1 4.13Å; I513-L517 PolarHBondContact O-N 3.35Å; I513-L517 VanDerWaalsContact O-N 3.1Å; I513-L533 HydrophobicContact CD1-CD2 4.17Å; I513-L533 HydrophobicContact CD1-CG 4.44Å; I513-L533 HydrophobicContact CG1-CD2 4.39Å; I513-V534 HydrophobicContact CG2-CG2 3.51Å; I513-F555 HydrophobicContact CD1-CZ 4.24Å; I513-F555 HydrophobicContact CG2-CE1 4.4Å
514	T	96.4	Very high	94.7	Very high	12 Å²	12	51.7 Å²	51.7	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-54.8	178.9	-60.4	0	0	0	0	111.5	V510 E511 S516 L517 S518 K558 I562	V510-T514 VanDerWaalsContact O-CB 3.32Å; V510-T514 WeakPolarHBondContact O-CB 3.27Å; V510-T514 PolarHBondContact O-N 2.94Å; V510-T514 PolarHBondContact O-OG1 3.1Å; E511-T514 WeakPolarHBondContact O-CA 3.44Å; E511-T514 WeakPolarHBondContact O-CB 3.5Å; E511-T514 PolarHBondContact O-N 3.13Å; T514-S516 VanDerWaalsContact C-N 3.25Å; T514-S516 PolarHBondContact O-N 3.5Å; T514-L517 WeakPolarHBondContact O-CA 3.27Å; T514-L517 WeakPolarHBondContact O-CB 3.4Å; T514-L517 PolarHBondContact O-N 2.99Å; T514-S518 PolarHBondContact O-N 3.4Å; T514-S518 PolarHBondContact O-OG 3Å; T514-K558 HydrophobicContact CG2-CB 4.29Å; T514-I562 HydrophobicContact CG2-CD1 4.45Å; T514-I562 HydrophobicContact CG2-CG1 3.91Å
515	E	95.7	Very high	94.8	Very high	120 Å²	120	48.9 Å²	48.9	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-57	-41.5	178.2	-68	-174.3	168.8	0	0	111.5	E511 L517 S518 I519	E511-E515 PolarHBondContact O-N 3.45Å; E515-L517 PolarHBondContact O-N 2.95Å; E515-S518 PolarHBondContact O-N 3.26Å; E515-S518 VanDerWaalsContact O-N 3.14Å; E515-I519 WeakPolarHBondContact O-CG1 3.43Å; E515-I519 PolarHBondContact O-N 2.88Å
516	S	96	Very high	94.9	Very high	11 Å²	11	52.3 Å²	52.3	8%	0.077	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-31.1	175.9	89.2	0	0	0	0	112.5	C512 I513 T514 R530	C512-S516 VanDerWaalsContact O-CB 3.3Å; C512-S516 WeakPolarHBondContact O-CB 3.49Å; C512-S516 PolarHBondContact O-N 2.87Å; C512-S516 VanDerWaalsContact O-N 3.14Å; I513-S516 PolarHBondContact O-N 3.26Å; I513-S516 PolarHBondContact O-OG 3.47Å; T514-S516 VanDerWaalsContact C-N 3.25Å; T514-S516 PolarHBondContact O-N 3.5Å; S516-R530 PolarHBondContact O-NH1 2.82Å; S516-R530 WeakPolarHBondContact OG-CD 3.26Å
517	L	95.1	Very high	94.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-77	-36.8	174.2	-77.4	163.6	0	0	0	111.8	I513 T514 E515 I519 K527 R530 V534 I562	I513-L517 HydrophobicContact CG2-CD1 4.13Å; I513-L517 PolarHBondContact O-N 3.35Å; I513-L517 VanDerWaalsContact O-N 3.1Å; T514-L517 WeakPolarHBondContact O-CA 3.27Å; T514-L517 WeakPolarHBondContact O-CB 3.4Å; T514-L517 PolarHBondContact O-N 2.99Å; E515-L517 PolarHBondContact O-N 2.95Å; L517-I519 VanDerWaalsContact C-N 3.32Å; L517-I519 PolarHBondContact O-N 3.39Å; L517-K527 HydrophobicContact CD2-CB 4.48Å; L517-K527 WeakPolarHBondContact CD2-O 3.16Å; L517-K527 PolarHBondContact O-NZ 3.14Å; L517-R530 HydrophobicContact CD1-CB 4.46Å; L517-R530 HydrophobicContact CD2-CB 3.59Å; L517-R530 HydrophobicContact CG-CB 3.94Å; L517-V534 HydrophobicContact CD1-CG2 4.09Å; L517-I562 HydrophobicContact CD1-CD1 4.4Å; L517-I562 HydrophobicContact CD1-CG1 4.39Å; L517-I562 HydrophobicContact CD1-CG2 3.87Å
518	S	94.9	Very high	95	Very high	36 Å²	36	47.8 Å²	47.8	25%	0.252	25%	0.247	S	C	.	.	H	α-helix	trans	-62.3	-32	178.5	-55.1	0	0	0	0	113.8	T514 E515 L520 D565	T514-S518 PolarHBondContact O-N 3.4Å; T514-S518 PolarHBondContact O-OG 3Å; E515-S518 PolarHBondContact O-N 3.26Å; E515-S518 VanDerWaalsContact O-N 3.14Å; S518-L520 PolarHBondContact O-N 3.32Å; S518-D565 VanDerWaalsContact CB-OD2 3.24Å; S518-D565 WeakPolarHBondContact CB-OD2 3.46Å; S518-D565 PolarHBondContact OG-OD2 2.58Å
519	I	94	Very high	95.1	Very high	94 Å²	94	45.8 Å²	45.8	48%	0.482	24%	0.238	S	C	.	.			trans	-59.5	100.7	179.6	-62.4	163.8	0	0	0	111.3	E515 L517 K521 T522 K527	E515-I519 WeakPolarHBondContact O-CG1 3.43Å; E515-I519 PolarHBondContact O-N 2.88Å; L517-I519 VanDerWaalsContact C-N 3.32Å; L517-I519 PolarHBondContact O-N 3.39Å; I519-K521 HydrophobicContact CG2-CB 4.25Å; I519-K521 PolarHBondContact O-N 3.44Å; I519-T522 WeakPolarHBondContact CG2-OG1 3.41Å; I519-T522 VanDerWaalsContact O-CB 3.27Å; I519-T522 WeakPolarHBondContact O-CB 3.22Å; I519-T522 PolarHBondContact O-N 3.3Å; I519-T522 PolarHBondContact O-OG1 3.14Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; I519-K527 WeakPolarHBondContact O-CE 3.44Å; I519-K527 PolarHBondContact O-NZ 3.28Å
520	L	90.4	Very high	95.1	Very high	99 Å²	99	46.4 Å²	46.4	52%	0.518	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-31	-179.5	-66.3	176.4	0	0	0	113.4	S518 T522 A568	S518-L520 PolarHBondContact O-N 3.32Å; L520-T522 PolarHBondContact O-N 2.88Å; L520-A568 HydrophobicContact CD2-CB 3.99Å
521	K	92.7	Very high	95.1	Very high	202 Å²	202	46.4 Å²	46.4	88%	0.878	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.9	177.2	-64.8	177.4	-177.8	171	0	113.9	I519	I519-K521 HydrophobicContact CG2-CB 4.25Å; I519-K521 PolarHBondContact O-N 3.44Å
522	T	93.6	Very high	95.2	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.098	24%	0.235	C	C	.	.	S	Bend	trans	-71.2	126.7	179	-61.9	0	0	0	0	110.6	I519 L520 K526 K527 R530	I519-T522 WeakPolarHBondContact CG2-OG1 3.41Å; I519-T522 VanDerWaalsContact O-CB 3.27Å; I519-T522 WeakPolarHBondContact O-CB 3.22Å; I519-T522 PolarHBondContact O-N 3.3Å; I519-T522 PolarHBondContact O-OG1 3.14Å; I519-T522 VanDerWaalsContact O-OG1 3.12Å; L520-T522 PolarHBondContact O-N 2.88Å; T522-K526 HydrophobicContact CG2-CB 3.75Å; T522-K527 HydrophobicContact CG2-CG 3.87Å; T522-R530 PolarHBondContact OG1-NH1 2.93Å
523	P	93.6	Very high	95.4	Very high	82 Å²	82	45.1 Å²	45.1	53%	0.532	23%	0.23	S	C	.	.			trans	-56.1	139.7	178.6	-27.1	35.2	0	0	0	113.5	P525 K526 K527	P523-P525 VanDerWaalsContact C-CD 3.41Å; P523-P525 VanDerWaalsContact C-N 3.33Å; P523-P525 VanDerWaalsContact O-N 3.13Å; P523-K526 WeakPolarHBondContact O-CA 3.36Å; P523-K526 WeakPolarHBondContact O-CB 3.34Å; P523-K526 PolarHBondContact O-N 3.38Å; P523-K527 PolarHBondContact O-N 3.16Å
524	L	94	Very high	95.4	Very high	47 Å²	47	45.1 Å²	45.1	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-47.7	-43.4	-177	-53.1	176.2	0	0	0	114.5	K526 K527 I528 T569 I573 F582	L524-K526 PolarHBondContact O-N 3.03Å; L524-K527 PolarHBondContact O-N 3.16Å; L524-I528 WeakPolarHBondContact O-CG1 3.24Å; L524-I528 PolarHBondContact O-N 3.02Å; L524-T569 HydrophobicContact CD2-CG2 3.55Å; L524-I573 HydrophobicContact CD1-CD1 3.74Å; L524-I573 HydrophobicContact CD1-CG1 3.88Å; L524-I573 HydrophobicContact CD1-CG2 4.38Å; L524-I573 HydrophobicContact CD2-CD1 3.82Å; L524-I573 HydrophobicContact CD2-CG1 3.96Å; L524-I573 HydrophobicContact CG-CD1 4.44Å; L524-F582 HydrophobicContact CB-CD2 4.24Å; L524-F582 HydrophobicContact CB-CE2 4.49Å; L524-F582 HydrophobicContact CD2-CD2 4.2Å; L524-F582 HydrophobicContact CD2-CE2 4.13Å
525	P	93.9	Very high	95.4	Very high	74 Å²	74	44.9 Å²	44.9	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-27.7	178.7	-22.6	35.4	0	0	0	113.9	P523 A529	P523-P525 VanDerWaalsContact C-CD 3.41Å; P523-P525 VanDerWaalsContact C-N 3.33Å; P523-P525 VanDerWaalsContact O-N 3.13Å; P525-A529 WeakPolarHBondContact O-CB 3.38Å; P525-A529 PolarHBondContact O-N 3.27Å
526	K	95.8	Very high	95.4	Very high	73 Å²	73	41.3 Å²	41.3	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-80.8	-38.2	176.4	-63.5	-162.4	172.3	-175.2	0	112.1	R483 T522 P523 L524 I528 A529 R530	R483-K526 PolarHBondContact O-NZ 3.34Å; T522-K526 HydrophobicContact CG2-CB 3.75Å; P523-K526 WeakPolarHBondContact O-CA 3.36Å; P523-K526 WeakPolarHBondContact O-CB 3.34Å; P523-K526 PolarHBondContact O-N 3.38Å; L524-K526 PolarHBondContact O-N 3.03Å; K526-I528 VanDerWaalsContact C-N 3.32Å; K526-I528 PolarHBondContact O-N 3.44Å; K526-A529 PolarHBondContact O-N 3.31Å; K526-R530 WeakPolarHBondContact O-CB 3.47Å; K526-R530 VanDerWaalsContact O-CG 3.28Å; K526-R530 WeakPolarHBondContact O-CG 3.45Å; K526-R530 PolarHBondContact O-N 3.16Å
527	K	95.6	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.3	-43.5	170.1	-76.7	178.4	176.2	-96.7	0	111.1	L517 I519 T522 P523 L524 R530 L531 T569 F582	L517-K527 HydrophobicContact CD2-CB 4.48Å; L517-K527 WeakPolarHBondContact CD2-O 3.16Å; L517-K527 PolarHBondContact O-NZ 3.14Å; I519-K527 WeakPolarHBondContact O-CE 3.44Å; I519-K527 PolarHBondContact O-NZ 3.28Å; T522-K527 HydrophobicContact CG2-CG 3.87Å; P523-K527 PolarHBondContact O-N 3.16Å; L524-K527 PolarHBondContact O-N 3.16Å; K527-R530 PolarHBondContact O-N 3.38Å; K527-L531 PolarHBondContact O-N 3.4Å; K527-T569 HydrophobicContact CD-CG2 3.46Å; K527-T569 VanDerWaalsContact CD-CG2 3.46Å; K527-T569 WeakPolarHBondContact CE-OG1 3.27Å; K527-T569 PolarHBondContact NZ-OG1 3.4Å; K527-F582 HydrophobicContact CB-CE2 4.39Å
528	I	96.3	Very high	95.5	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-43.6	172.7	-67.9	-59.4	0	0	0	112.1	L524 K526 R530 L531 Y532 F582 R585 V586	L524-I528 WeakPolarHBondContact O-CG1 3.24Å; L524-I528 PolarHBondContact O-N 3.02Å; K526-I528 VanDerWaalsContact C-N 3.32Å; K526-I528 PolarHBondContact O-N 3.44Å; I528-R530 VanDerWaalsContact C-N 3.32Å; I528-R530 PolarHBondContact O-N 2.81Å; I528-L531 PolarHBondContact O-N 2.87Å; I528-Y532 HydrophobicContact CG2-CD2 4.02Å; I528-Y532 HydrophobicContact CG2-CE1 4.06Å; I528-Y532 HydrophobicContact CG2-CE2 3.51Å; I528-Y532 PolarHBondContact O-N 3.43Å; I528-F582 HydrophobicContact CD1-CD2 3.67Å; I528-F582 HydrophobicContact CD1-CE2 3.72Å; I528-F582 HydrophobicContact CD1-CG 4.43Å; I528-F582 HydrophobicContact CG1-CD2 3.82Å; I528-F582 HydrophobicContact CG1-CE2 3.92Å; I528-R585 HydrophobicContact CD1-CB 3.81Å; I528-R585 HydrophobicContact CG2-CB 4.46Å; I528-V586 HydrophobicContact CD1-CG2 4.11Å
529	A	97.4	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-39.8	177.4	0	0	0	0	0	112.8	L485 S486 P487 P525 K526 Y532 L533	L485-A529 HydrophobicContact CD2-CB 4Å; L485-A529 HydrophobicContact CG-CB 3.94Å; S486-A529 VanDerWaalsContact C-CB 3.4Å; P487-A529 HydrophobicContact CB-CB 4.07Å; P525-A529 WeakPolarHBondContact O-CB 3.38Å; P525-A529 PolarHBondContact O-N 3.27Å; K526-A529 PolarHBondContact O-N 3.31Å; A529-Y532 PolarHBondContact O-N 3.42Å; A529-L533 PolarHBondContact O-N 3.48Å
530	R	97.4	Very high	95.5	Very high	13 Å²	13	42.6 Å²	42.6	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-38	175.4	-70.2	164.6	178.7	-175.6	-2.3	111.7	L482 L485 S516 L517 T522 K526 K527 I528 L533 V534	L482-R530 HydrophobicContact CD2-CG 4.23Å; L482-R530 VanDerWaalsContact O-CZ 3.31Å; L482-R530 PolarHBondContact O-NE 3.03Å; L482-R530 PolarHBondContact O-NH2 2.85Å; L485-R530 HydrophobicContact CD2-CG 3.99Å; S516-R530 PolarHBondContact O-NH1 2.82Å; S516-R530 WeakPolarHBondContact OG-CD 3.26Å; L517-R530 HydrophobicContact CD1-CB 4.46Å; L517-R530 HydrophobicContact CD2-CB 3.59Å; L517-R530 HydrophobicContact CG-CB 3.94Å; T522-R530 PolarHBondContact OG1-NH1 2.93Å; K526-R530 WeakPolarHBondContact O-CB 3.47Å; K526-R530 VanDerWaalsContact O-CG 3.28Å; K526-R530 WeakPolarHBondContact O-CG 3.45Å; K526-R530 PolarHBondContact O-N 3.16Å; K527-R530 PolarHBondContact O-N 3.38Å; I528-R530 VanDerWaalsContact C-N 3.32Å; I528-R530 PolarHBondContact O-N 2.81Å; R530-L533 WeakPolarHBondContact O-CB 3.03Å; R530-L533 PolarHBondContact O-N 2.93Å; R530-V534 WeakPolarHBondContact O-CG2 3.16Å; R530-V534 PolarHBondContact O-N 3.34Å
531	L	97.3	Very high	95.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.5	-37	172	-177.4	62.8	0	0	0	112.5	K527 I528 L533 V534 S535 F563 L566 V586 C589 W593	K527-L531 PolarHBondContact O-N 3.4Å; I528-L531 PolarHBondContact O-N 2.87Å; L531-L533 VanDerWaalsContact C-N 3.34Å; L531-V534 WeakPolarHBondContact O-CB 3.22Å; L531-V534 PolarHBondContact O-N 2.99Å; L531-S535 PolarHBondContact O-N 2.82Å; L531-F563 HydrophobicContact CD1-CE1 4.44Å; L531-F563 HydrophobicContact CD1-CZ 4.33Å; L531-L566 HydrophobicContact CD1-CD1 4.25Å; L531-L566 HydrophobicContact CD2-CD1 4.13Å; L531-V586 HydrophobicContact CD2-CB 4.28Å; L531-V586 HydrophobicContact CD2-CG1 4.18Å; L531-V586 HydrophobicContact CD2-CG2 3.88Å; L531-C589 HydrophobicContact CD2-CB 4.42Å; L531-W593 HydrophobicContact CD1-CH2 4.36Å; L531-W593 HydrophobicContact CD1-CZ2 4.44Å
532	Y	97.8	Very high	95.4	Very high	64 Å²	64	33.6 Å²	33.6	25%	0.251	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-35.1	171.9	-65.7	-18.7	0	0	0	112.1	P487 I528 A529 S535 D536	P487-Y532 HydrophobicContact CB-CD2 4.2Å; P487-Y532 HydrophobicContact CB-CE2 4.19Å; I528-Y532 HydrophobicContact CG2-CD2 4.02Å; I528-Y532 HydrophobicContact CG2-CE1 4.06Å; I528-Y532 HydrophobicContact CG2-CE2 3.51Å; I528-Y532 PolarHBondContact O-N 3.43Å; A529-Y532 PolarHBondContact O-N 3.42Å; Y532-S535 WeakPolarHBondContact O-CB 3.47Å; Y532-S535 PolarHBondContact O-N 3.23Å; Y532-D536 WeakPolarHBondContact O-CB 3.49Å; Y532-D536 PolarHBondContact O-N 3.19Å
533	L	98.1	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-44.8	170.6	175.2	61.8	0	0	0	112.1	L482 L485 V492 A495 M496 I513 A529 R530 L531 S535 D536 V537	L482-L533 HydrophobicContact CD2-CD2 3.63Å; L485-L533 HydrophobicContact CD2-CB 4.17Å; L485-L533 HydrophobicContact CD2-CD2 4.16Å; V492-L533 HydrophobicContact CG1-CB 4.39Å; A495-L533 HydrophobicContact CB-CD1 3.76Å; A495-L533 HydrophobicContact CB-CD2 3.88Å; A495-L533 HydrophobicContact CB-CG 4.44Å; M496-L533 HydrophobicContact CB-CD1 3.85Å; M496-L533 VanDerWaalsContact N-CD1 3.31Å; I513-L533 HydrophobicContact CD1-CD2 4.17Å; I513-L533 HydrophobicContact CD1-CG 4.44Å; I513-L533 HydrophobicContact CG1-CD2 4.39Å; A529-L533 PolarHBondContact O-N 3.48Å; R530-L533 WeakPolarHBondContact O-CB 3.03Å; R530-L533 PolarHBondContact O-N 2.93Å; L531-L533 VanDerWaalsContact C-N 3.34Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 2.98Å; L533-D536 PolarHBondContact O-N 2.85Å; L533-V537 HydrophobicContact CD1-CG2 3.89Å; L533-V537 HydrophobicContact CG-CG2 4.49Å; L533-V537 WeakPolarHBondContact O-CB 3.13Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.34Å; L533-V537 PolarHBondContact O-N 3.12Å
534	V	97.6	Very high	94.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-46.3	172	174.1	0	0	0	0	110.5	I513 L517 R530 L531 V537 L538 F555 L559 W593	I513-V534 HydrophobicContact CG2-CG2 3.51Å; L517-V534 HydrophobicContact CD1-CG2 4.09Å; R530-V534 WeakPolarHBondContact O-CG2 3.16Å; R530-V534 PolarHBondContact O-N 3.34Å; L531-V534 WeakPolarHBondContact O-CB 3.22Å; L531-V534 PolarHBondContact O-N 2.99Å; V534-V537 PolarHBondContact O-N 3.07Å; V534-L538 HydrophobicContact CG1-CD1 3.82Å; V534-L538 HydrophobicContact CG1-CG 4.37Å; V534-L538 VanDerWaalsContact O-CB 3.3Å; V534-L538 WeakPolarHBondContact O-CB 3.36Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.38Å; V534-L538 PolarHBondContact O-N 3.35Å; V534-F555 HydrophobicContact CB-CE1 4.26Å; V534-F555 HydrophobicContact CB-CZ 4.24Å; V534-F555 HydrophobicContact CG1-CD1 3.94Å; V534-F555 HydrophobicContact CG1-CD2 4.46Å; V534-F555 HydrophobicContact CG1-CE1 3.79Å; V534-F555 HydrophobicContact CG1-CE2 4.32Å; V534-F555 HydrophobicContact CG1-CG 4.29Å; V534-F555 HydrophobicContact CG1-CZ 3.99Å; V534-F555 HydrophobicContact CG2-CE1 3.69Å; V534-F555 HydrophobicContact CG2-CZ 3.92Å; V534-L559 HydrophobicContact CG1-CD2 4.28Å; V534-W593 HydrophobicContact CG1-CH2 4.13Å; V534-W593 HydrophobicContact CG1-CZ2 4.11Å
535	S	96.5	Very high	94.4	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-63.1	-45.4	179.5	-167.7	0	0	0	0	113.3	L531 Y532 L533 L538 Y539 W593 W596	L531-S535 PolarHBondContact O-N 2.82Å; Y532-S535 WeakPolarHBondContact O-CB 3.47Å; Y532-S535 PolarHBondContact O-N 3.23Å; L533-S535 VanDerWaalsContact C-N 3.29Å; L533-S535 PolarHBondContact O-N 2.98Å; S535-L538 PolarHBondContact O-N 3.02Å; S535-Y539 PolarHBondContact O-N 3.02Å; S535-W593 PolarHBondContact OG-NE1 3.32Å; S535-W596 WeakPolarHBondContact OG-CZ3 3.41Å
536	D	96.5	Very high	94	Very high	46 Å²	46	42.9 Å²	42.9	25%	0.246	23%	0.225	C	C	.	.	H	α-helix	trans	-69.9	-36.4	179.9	-82.6	17.1	0	0	0	111.5	V492 M496 Y532 L533 N540	V492-D536 HydrophobicContact CG1-CB 4.4Å; M496-D536 HydrophobicContact CB-CB 4.26Å; M496-D536 HydrophobicContact CE-CB 4.45Å; M496-D536 HydrophobicContact CG-CB 4.02Å; Y532-D536 WeakPolarHBondContact O-CB 3.49Å; Y532-D536 PolarHBondContact O-N 3.19Å; L533-D536 PolarHBondContact O-N 2.85Å; D536-N540 PolarHBondContact O-N 3.4Å; D536-N540 VanDerWaalsContact O-N 3.16Å; D536-N540 PolarHBondContact O-ND2 3.07Å
537	V	96.6	Very high	93.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-41.2	173.3	173.8	0	0	0	0	111	M496 C499 L533 V534 N540 S541 Y551 F555	M496-V537 HydrophobicContact CB-CG2 4.19Å; M496-V537 HydrophobicContact CG-CG2 3.95Å; C499-V537 HydrophobicContact CB-CG2 3.8Å; L533-V537 HydrophobicContact CD1-CG2 3.89Å; L533-V537 HydrophobicContact CG-CG2 4.49Å; L533-V537 WeakPolarHBondContact O-CB 3.13Å; L533-V537 VanDerWaalsContact O-CG2 3.3Å; L533-V537 WeakPolarHBondContact O-CG2 3.34Å; L533-V537 PolarHBondContact O-N 3.12Å; V534-V537 PolarHBondContact O-N 3.07Å; V537-N540 CarbonylContact O-C 3.43Å; V537-N540 PolarHBondContact O-N 2.77Å; V537-S541 PolarHBondContact O-N 2.88Å; V537-Y551 HydrophobicContact CG1-CD1 3.7Å; V537-Y551 HydrophobicContact CG1-CD2 3.69Å; V537-Y551 HydrophobicContact CG1-CE1 4.07Å; V537-Y551 HydrophobicContact CG1-CE2 4.06Å; V537-Y551 HydrophobicContact CG1-CG 3.52Å; V537-F555 HydrophobicContact CB-CE2 4.34Å; V537-F555 HydrophobicContact CG1-CE2 3.95Å
538	L	95.9	Very high	93.6	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-61.9	-44.3	175.3	-81.3	173.8	0	0	0	112.3	V534 S535 N540 S541 F555 W593 V598 Y599	V534-L538 HydrophobicContact CG1-CD1 3.82Å; V534-L538 HydrophobicContact CG1-CG 4.37Å; V534-L538 VanDerWaalsContact O-CB 3.3Å; V534-L538 WeakPolarHBondContact O-CB 3.36Å; V534-L538 VanDerWaalsContact O-CG 3.3Å; V534-L538 WeakPolarHBondContact O-CG 3.38Å; V534-L538 PolarHBondContact O-N 3.35Å; S535-L538 PolarHBondContact O-N 3.02Å; L538-N540 VanDerWaalsContact C-N 3.34Å; L538-N540 PolarHBondContact O-N 3.27Å; L538-S541 WeakPolarHBondContact O-CB 3.46Å; L538-S541 PolarHBondContact O-N 2.88Å; L538-S541 PolarHBondContact O-OG 3.08Å; L538-F555 HydrophobicContact CD2-CB 3.99Å; L538-F555 HydrophobicContact CD2-CD2 3.69Å; L538-F555 HydrophobicContact CD2-CG 4.21Å; L538-F555 HydrophobicContact CG-CD2 3.85Å; L538-F555 HydrophobicContact CG-CE2 4.42Å; L538-F555 HydrophobicContact CG-CG 4.42Å; L538-W593 HydrophobicContact CD1-CD2 4.28Å; L538-W593 HydrophobicContact CD1-CE3 4.44Å; L538-W593 HydrophobicContact CD1-CH2 3.94Å; L538-W593 HydrophobicContact CD1-CZ2 3.75Å; L538-W593 HydrophobicContact CD1-CZ3 4.27Å; L538-V598 HydrophobicContact CB-CG1 4.06Å; L538-V598 HydrophobicContact CD1-CG1 4.37Å; L538-V598 HydrophobicContact CD2-CG1 3.99Å; L538-V598 HydrophobicContact CG-CG1 4.38Å; L538-Y599 HydrophobicContact CD1-CE2 4.17Å; L538-Y599 HydrophobicContact CD2-CE2 4.13Å; L538-Y599 WeakPolarHBondContact CD2-OH 3.35Å
539	Y	94.8	Very high	93.4	Very high	123 Å²	123	45.6 Å²	45.6	48%	0.482	25%	0.25	S	C	.	.	H	α-helix	trans	-56.6	-48.8	174.3	-176.4	-107.5	0	0	0	111.7	S535 S541 S542 W596	S535-Y539 PolarHBondContact O-N 3.02Å; Y539-S541 VanDerWaalsContact C-N 3.29Å; Y539-S541 PolarHBondContact O-N 3.16Å; Y539-S542 PolarHBondContact O-OG 3.25Å; Y539-W596 AromaticContact CD2-CD2 3.44Å; Y539-W596 HydrophobicContact CD2-CD2 3.44Å; Y539-W596 VanDerWaalsContact CD2-CD2 3.44Å; Y539-W596 AromaticContact CD2-CE2 3.62Å; Y539-W596 AromaticContact CD2-CE3 3.64Å; Y539-W596 HydrophobicContact CD2-CE3 3.64Å; Y539-W596 AromaticContact CD2-CG 3.9Å; Y539-W596 HydrophobicContact CD2-CG 3.9Å; Y539-W596 HydrophobicContact CD2-CH2 4.11Å; Y539-W596 AromaticContact CD2-CZ2 3.96Å; Y539-W596 HydrophobicContact CD2-CZ2 3.96Å; Y539-W596 AromaticContact CD2-CZ3 3.98Å; Y539-W596 HydrophobicContact CD2-CZ3 3.98Å; Y539-W596 AromaticContact CE2-CD2 3.99Å; Y539-W596 HydrophobicContact CE2-CD2 3.99Å; Y539-W596 AromaticContact CE2-CE2 3.87Å; Y539-W596 HydrophobicContact CE2-CG 4.1Å; Y539-W596 HydrophobicContact CE2-CZ2 4.36Å; Y539-W596 AromaticContact CE2-NE1 3.95Å; Y539-W596 HydrophobicContact CG-CD2 4.44Å; Y539-W596 HydrophobicContact CG-CE3 4.28Å; Y539-W596 HydrophobicContact CG-CH2 4.32Å; Y539-W596 HydrophobicContact CG-CZ2 4.5Å; Y539-W596 HydrophobicContact CG-CZ3 4.22Å
540	N	94.4	Very high	93.3	Very high	42 Å²	42	51.2 Å²	51.2	23%	0.225	27%	0.271	C	S	.	.	H	α-helix	trans	-80	-2.1	-178.9	-68.3	-80.8	0	0	0	114.3	L500 D536 V537 L538 S542 A543	L500-N540 HydrophobicContact CD1-CB 3.72Å; L500-N540 HydrophobicContact CD2-CB 4.07Å; L500-N540 HydrophobicContact CG-CB 4.45Å; D536-N540 PolarHBondContact O-N 3.4Å; D536-N540 VanDerWaalsContact O-N 3.16Å; D536-N540 PolarHBondContact O-ND2 3.07Å; V537-N540 CarbonylContact O-C 3.43Å; V537-N540 PolarHBondContact O-N 2.77Å; L538-N540 VanDerWaalsContact C-N 3.34Å; L538-N540 PolarHBondContact O-N 3.27Å; N540-S542 PolarHBondContact O-N 3.37Å; N540-S542 VanDerWaalsContact O-N 3.15Å; N540-A543 WeakPolarHBondContact O-CB 3.37Å; N540-A543 PolarHBondContact O-N 3.4Å
541	S	92.3	Very high	93.2	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.07	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.2	171.3	72.1	0	0	0	0	112.9	V537 L538 Y539 A548 S549	V537-S541 PolarHBondContact O-N 2.88Å; L538-S541 WeakPolarHBondContact O-CB 3.46Å; L538-S541 PolarHBondContact O-N 2.88Å; L538-S541 PolarHBondContact O-OG 3.08Å; Y539-S541 VanDerWaalsContact C-N 3.29Å; Y539-S541 PolarHBondContact O-N 3.16Å; S541-A548 WeakPolarHBondContact CA-O 3.49Å; S541-A548 VanDerWaalsContact CB-O 3.31Å; S541-A548 WeakPolarHBondContact CB-O 3.39Å; S541-A548 CarbonylContact O-C 3.55Å; S541-S549 VanDerWaalsContact O-CA 3.31Å; S541-S549 WeakPolarHBondContact O-CA 3.43Å; S541-S549 PolarHBondContact O-N 2.96Å
542	S	87.4	Confident	93.1	Very high	102 Å²	102	55.7 Å²	55.7	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-5.4	173	67	0	0	0	0	114.6	Y539 N540	Y539-S542 PolarHBondContact O-OG 3.25Å; N540-S542 PolarHBondContact O-N 3.37Å; N540-S542 VanDerWaalsContact O-N 3.15Å
543	A	87.8	Confident	93	Very high	38 Å²	38	58.6 Å²	58.6	31%	0.314	30%	0.302	S	S	.	.	S	Bend	trans	-70.9	161.1	-176.6	0	0	0	0	0	112.6	N540 V545	N540-A543 WeakPolarHBondContact O-CB 3.37Å; N540-A543 PolarHBondContact O-N 3.4Å; A543-V545 HydrophobicContact CB-CG2 4.27Å; A543-V545 PolarHBondContact O-N 2.86Å
544	K	87.1	Confident	92.9	Very high	221 Å²	221	60.7 Å²	60.7	96%	0.961	31%	0.31	S	S	*	.	S	Bend	trans	-78.7	50.4	177.5	-63.3	-175.5	179	-179.1	0	112.5
545	V	86.3	Confident	92.9	Very high	61 Å²	61	60.7 Å²	60.7	37%	0.37	31%	0.31	S	S	.	.	S	Bend	trans	-113.6	135.6	176.2	-178.6	0	0	0	0	107.7	A543 A548	A543-V545 HydrophobicContact CB-CG2 4.27Å; A543-V545 PolarHBondContact O-N 2.86Å; V545-A548 HydrophobicContact CB-CB 3.91Å; V545-A548 HydrophobicContact CG1-CB 4.26Å
546	S	86	Confident	92.8	Very high	94 Å²	94	64.3 Å²	64.3	66%	0.657	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	139.6	175.8	42.9	0	0	0	0	110.8	A548	S546-A548 PolarHBondContact O-N 2.98Å
547	N	89.1	Confident	92.8	Very high	61 Å²	61	66.9 Å²	66.9	33%	0.326	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-11.7	176.4	-52.2	-21.4	0	0	0	116.3	A503 E504 S549 Y550	A503-N547 HydrophobicContact CB-CB 4.32Å; A503-N547 WeakPolarHBondContact O-CB 3.41Å; E504-N547 WeakPolarHBondContact CA-ND2 3.05Å; E504-N547 WeakPolarHBondContact CB-ND2 3.27Å; N547-S549 PolarHBondContact O-N 3.28Å; N547-S549 VanDerWaalsContact O-N 3.1Å; N547-Y550 HydrophobicContact CB-CD2 3.77Å; N547-Y550 HydrophobicContact CB-CE2 3.99Å; N547-Y550 WeakPolarHBondContact O-CB 3.4Å; N547-Y550 VanDerWaalsContact O-CD2 3.26Å; N547-Y550 WeakPolarHBondContact O-CD2 3.42Å; N547-Y550 PolarHBondContact O-N 3.48Å
548	A	92.4	Very high	92.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.3	-178.1	0	0	0	0	0	114.3	L500 A503 S541 V545 S546 Y550 Y551	L500-A548 HydrophobicContact CD2-CB 4.06Å; A503-A548 HydrophobicContact CB-CB 4.35Å; S541-A548 WeakPolarHBondContact CA-O 3.49Å; S541-A548 VanDerWaalsContact CB-O 3.31Å; S541-A548 WeakPolarHBondContact CB-O 3.39Å; S541-A548 CarbonylContact O-C 3.55Å; V545-A548 HydrophobicContact CB-CB 3.91Å; V545-A548 HydrophobicContact CG1-CB 4.26Å; S546-A548 PolarHBondContact O-N 2.98Å; A548-Y550 PolarHBondContact O-N 2.8Å; A548-Y551 WeakPolarHBondContact O-CB 3.44Å; A548-Y551 WeakPolarHBondContact O-CD2 3.41Å; A548-Y551 PolarHBondContact O-N 3.11Å
549	S	93.6	Very high	92.8	Very high	74 Å²	74	69.6 Å²	69.6	52%	0.517	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.6	173.8	54	0	0	0	0	113.7	S541 N547 Y551 R552	S541-S549 VanDerWaalsContact O-CA 3.31Å; S541-S549 WeakPolarHBondContact O-CA 3.43Å; S541-S549 PolarHBondContact O-N 2.96Å; N547-S549 PolarHBondContact O-N 3.28Å; N547-S549 VanDerWaalsContact O-N 3.1Å; S549-Y551 PolarHBondContact O-N 3.3Å; S549-R552 WeakPolarHBondContact O-CB 3.19Å; S549-R552 PolarHBondContact O-N 3.47Å
550	Y	94.3	Very high	92.8	Very high	117 Å²	117	64.9 Å²	64.9	46%	0.459	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-24.1	177.2	-62.1	-52	0	0	0	112.9	N547 A548 R552 K553 Y554	N547-Y550 HydrophobicContact CB-CD2 3.77Å; N547-Y550 HydrophobicContact CB-CE2 3.99Å; N547-Y550 WeakPolarHBondContact O-CB 3.4Å; N547-Y550 VanDerWaalsContact O-CD2 3.26Å; N547-Y550 WeakPolarHBondContact O-CD2 3.42Å; N547-Y550 PolarHBondContact O-N 3.48Å; A548-Y550 PolarHBondContact O-N 2.8Å; Y550-R552 PolarHBondContact O-N 3.25Å; Y550-K553 WeakPolarHBondContact O-CB 3.38Å; Y550-K553 PolarHBondContact O-N 3.4Å; Y550-Y554 HydrophobicContact CG-CE2 4.42Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.41Å; Y550-Y554 PolarHBondContact O-N 3.23Å
551	Y	96.6	Very high	92.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-54.7	-37.5	173.2	-78.5	-62.2	0	0	0	112.4	C499 A503 A506 I509 V510 V537 A548 S549 Y554 F555	C499-Y551 PolarHBondContact O-OH 3.34Å; A503-Y551 HydrophobicContact CB-CE2 3.86Å; A506-Y551 HydrophobicContact CB-CD1 3.9Å; A506-Y551 HydrophobicContact CB-CD2 4.36Å; A506-Y551 HydrophobicContact CB-CE1 3.64Å; A506-Y551 HydrophobicContact CB-CE2 4.14Å; A506-Y551 HydrophobicContact CB-CG 4.23Å; I509-Y551 HydrophobicContact CB-CE1 4.19Å; I509-Y551 WeakPolarHBondContact CD1-OH 3.32Å; I509-Y551 HydrophobicContact CG2-CE1 3.89Å; V510-Y551 HydrophobicContact CG2-CD1 3.68Å; V510-Y551 HydrophobicContact CG2-CE1 4.08Å; V537-Y551 HydrophobicContact CG1-CD1 3.7Å; V537-Y551 HydrophobicContact CG1-CD2 3.69Å; V537-Y551 HydrophobicContact CG1-CE1 4.07Å; V537-Y551 HydrophobicContact CG1-CE2 4.06Å; V537-Y551 HydrophobicContact CG1-CG 3.52Å; A548-Y551 WeakPolarHBondContact O-CB 3.44Å; A548-Y551 WeakPolarHBondContact O-CD2 3.41Å; A548-Y551 PolarHBondContact O-N 3.11Å; S549-Y551 PolarHBondContact O-N 3.3Å; Y551-Y554 PolarHBondContact O-N 3.1Å; Y551-F555 HydrophobicContact CD1-CE2 4.08Å; Y551-F555 WeakPolarHBondContact O-CB 3.35Å; Y551-F555 VanDerWaalsContact O-CD2 3.26Å; Y551-F555 WeakPolarHBondContact O-CD2 3.25Å; Y551-F555 PolarHBondContact O-N 3.11Å
552	R	94.8	Very high	93.1	Very high	107 Å²	107	66.7 Å²	66.7	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-45.4	177	-167.8	176	-175.8	164.1	1.2	111.3	S549 Y550 E556 A597 V598 Y599	S549-R552 WeakPolarHBondContact O-CB 3.19Å; S549-R552 PolarHBondContact O-N 3.47Å; Y550-R552 PolarHBondContact O-N 3.25Å; R552-E556 WeakPolarHBondContact O-CB 3.46Å; R552-E556 PolarHBondContact O-N 3.12Å; R552-A597 PolarHBondContact NH2-O 2.94Å; R552-V598 PolarHBondContact NE-O 3.31Å; R552-V598 PolarHBondContact NH2-O 3.15Å; R552-Y599 HydrophobicContact CG-CE1 3.97Å; R552-Y599 PolarHBondContact O-OH 3.06Å
553	K	94.6	Very high	93.5	Very high	125 Å²	125	61.9 Å²	61.9	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-65	-46.1	176.7	-177	-163.8	172.7	-160.5	0	112	Y550 E556	Y550-K553 WeakPolarHBondContact O-CB 3.38Å; Y550-K553 PolarHBondContact O-N 3.4Å; K553-E556 WeakPolarHBondContact O-CB 3.44Å; K553-E556 PolarHBondContact O-N 2.84Å
554	Y	96.2	Very high	93.9	Very high	44 Å²	44	61.3 Å²	61.3	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-73.6	-37.2	-175.2	-69.7	-55.2	0	0	0	113	A506 E507 Y550 Y551 E556 T557	A506-Y554 HydrophobicContact CB-CD2 4.02Å; A506-Y554 HydrophobicContact CB-CE2 4.27Å; E507-Y554 HydrophobicContact CB-CD1 4.09Å; E507-Y554 HydrophobicContact CB-CD2 4.18Å; E507-Y554 HydrophobicContact CB-CE1 3.77Å; E507-Y554 HydrophobicContact CB-CE2 3.85Å; E507-Y554 HydrophobicContact CB-CG 4.29Å; E507-Y554 HydrophobicContact CG-CD1 3.82Å; E507-Y554 HydrophobicContact CG-CE1 3.53Å; E507-Y554 HydrophobicContact CG-CG 4.45Å; E507-Y554 VanDerWaalsContact OE1-CE1 3.3Å; E507-Y554 WeakPolarHBondContact OE1-CE1 3.33Å; E507-Y554 WeakPolarHBondContact OE2-CE1 3.38Å; E507-Y554 PolarHBondContact OE2-OH 2.81Å; Y550-Y554 HydrophobicContact CG-CE2 4.42Å; Y550-Y554 WeakPolarHBondContact O-CD2 3.41Å; Y550-Y554 PolarHBondContact O-N 3.23Å; Y551-Y554 PolarHBondContact O-N 3.1Å; Y554-E556 VanDerWaalsContact C-N 3.32Å; Y554-E556 PolarHBondContact O-N 2.86Å; Y554-T557 PolarHBondContact O-OG1 3.4Å; Y554-T557 VanDerWaalsContact O-OG1 3.07Å
555	F	97	Very high	94.3	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.1	-36.3	170.9	-80.6	-57.6	0	0	0	111.6	V510 I513 V534 V537 L538 Y551 T557 K558 L559 I562	V510-F555 HydrophobicContact CB-CD1 4.46Å; V510-F555 HydrophobicContact CB-CE1 4.26Å; V510-F555 HydrophobicContact CG1-CD1 3.71Å; V510-F555 HydrophobicContact CG1-CE1 3.87Å; V510-F555 HydrophobicContact CG1-CG 4.28Å; V510-F555 HydrophobicContact CG2-CD1 4.02Å; V510-F555 HydrophobicContact CG2-CD2 3.96Å; V510-F555 HydrophobicContact CG2-CE1 3.82Å; V510-F555 HydrophobicContact CG2-CE2 3.78Å; V510-F555 HydrophobicContact CG2-CG 4.07Å; V510-F555 HydrophobicContact CG2-CZ 3.71Å; I513-F555 HydrophobicContact CD1-CZ 4.24Å; I513-F555 HydrophobicContact CG2-CE1 4.4Å; V534-F555 HydrophobicContact CB-CE1 4.26Å; V534-F555 HydrophobicContact CB-CZ 4.24Å; V534-F555 HydrophobicContact CG1-CD1 3.94Å; V534-F555 HydrophobicContact CG1-CD2 4.46Å; V534-F555 HydrophobicContact CG1-CE1 3.79Å; V534-F555 HydrophobicContact CG1-CE2 4.32Å; V534-F555 HydrophobicContact CG1-CG 4.29Å; V534-F555 HydrophobicContact CG1-CZ 3.99Å; V534-F555 HydrophobicContact CG2-CE1 3.69Å; V534-F555 HydrophobicContact CG2-CZ 3.92Å; V537-F555 HydrophobicContact CB-CE2 4.34Å; V537-F555 HydrophobicContact CG1-CE2 3.95Å; L538-F555 HydrophobicContact CD2-CB 3.99Å; L538-F555 HydrophobicContact CD2-CD2 3.69Å; L538-F555 HydrophobicContact CD2-CG 4.21Å; L538-F555 HydrophobicContact CG-CD2 3.85Å; L538-F555 HydrophobicContact CG-CE2 4.42Å; L538-F555 HydrophobicContact CG-CG 4.42Å; Y551-F555 HydrophobicContact CD1-CE2 4.08Å; Y551-F555 WeakPolarHBondContact O-CB 3.35Å; Y551-F555 VanDerWaalsContact O-CD2 3.26Å; Y551-F555 WeakPolarHBondContact O-CD2 3.25Å; Y551-F555 PolarHBondContact O-N 3.11Å; F555-T557 PolarHBondContact O-N 3.25Å; F555-T557 VanDerWaalsContact O-N 3.17Å; F555-K558 CarbonylContact O-C 3.51Å; F555-K558 PolarHBondContact O-N 2.99Å; F555-L559 HydrophobicContact CB-CD1 4.08Å; F555-L559 HydrophobicContact CB-CG 4.12Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 WeakPolarHBondContact O-CG 3.11Å; F555-L559 PolarHBondContact O-N 3.41Å; F555-I562 HydrophobicContact CD1-CD1 4.38Å
556	E	95.4	Very high	94.7	Very high	84 Å²	84	49.1 Å²	49.1	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-53.3	-40.1	179.5	-158.4	168.7	170.9	0	0	112.9	R552 K553 Y554 Y599 F603	R552-E556 WeakPolarHBondContact O-CB 3.46Å; R552-E556 PolarHBondContact O-N 3.12Å; K553-E556 WeakPolarHBondContact O-CB 3.44Å; K553-E556 PolarHBondContact O-N 2.84Å; Y554-E556 VanDerWaalsContact C-N 3.32Å; Y554-E556 PolarHBondContact O-N 2.86Å; E556-Y599 HydrophobicContact CB-CE1 3.77Å; E556-Y599 HydrophobicContact CG-CD1 4.14Å; E556-Y599 HydrophobicContact CG-CE1 3.73Å; E556-Y599 PolarHBondContact N-OH 3.11Å; E556-F603 HydrophobicContact CG-CE1 4.2Å; E556-F603 HydrophobicContact CG-CE2 4.2Å; E556-F603 HydrophobicContact CG-CZ 3.78Å
557	T	95.9	Very high	95.1	Very high	100 Å²	100	45.2 Å²	45.2	61%	0.613	22%	0.224	S	C	*	.	H	α-helix	trans	-75.8	-25.3	178.5	68.4	0	0	0	0	113.9	Y554 F555	Y554-T557 PolarHBondContact O-OG1 3.4Å; Y554-T557 VanDerWaalsContact O-OG1 3.07Å; F555-T557 PolarHBondContact O-N 3.25Å; F555-T557 VanDerWaalsContact O-N 3.17Å
558	K	96.1	Very high	95.4	Very high	59 Å²	59	44 Å²	44	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-101	-21.2	-176.7	-55.6	-63.6	-176.6	166.5	0	114	V510 E511 T514 F555 S560 Q561 I562	V510-K558 HydrophobicContact CG1-CB 4.29Å; V510-K558 HydrophobicContact CG1-CG 3.82Å; E511-K558 WeakPolarHBondContact OE1-CE 3.29Å; E511-K558 IonicContact OE1-NZ 2.79Å; E511-K558 PolarHBondContact OE1-NZ 3.45Å; T514-K558 HydrophobicContact CG2-CB 4.29Å; F555-K558 CarbonylContact O-C 3.51Å; F555-K558 PolarHBondContact O-N 2.99Å; K558-S560 VanDerWaalsContact C-N 3.31Å; K558-S560 PolarHBondContact O-N 3.14Å; K558-Q561 WeakPolarHBondContact O-CB 3.36Å; K558-Q561 PolarHBondContact O-N 2.67Å; K558-I562 HydrophobicContact CB-CD1 4.31Å; K558-I562 WeakPolarHBondContact O-CG1 3.48Å; K558-I562 PolarHBondContact O-N 3.25Å
559	L	96	Very high	95.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-36.9	-172.9	-82	168.5	0	0	0	113.1	V534 F555 Q561 I562 F563 W593 Y599 F603 L607	V534-L559 HydrophobicContact CG1-CD2 4.28Å; F555-L559 HydrophobicContact CB-CD1 4.08Å; F555-L559 HydrophobicContact CB-CG 4.12Å; F555-L559 WeakPolarHBondContact O-CB 3.35Å; F555-L559 WeakPolarHBondContact O-CG 3.11Å; F555-L559 PolarHBondContact O-N 3.41Å; L559-Q561 VanDerWaalsContact C-N 3.31Å; L559-Q561 PolarHBondContact O-N 2.74Å; L559-I562 HydrophobicContact CD2-CD1 4.23Å; L559-I562 PolarHBondContact O-N 3.47Å; L559-F563 HydrophobicContact CD2-CD2 4.48Å; L559-F563 HydrophobicContact CD2-CE2 3.87Å; L559-F563 VanDerWaalsContact O-CD2 3.23Å; L559-F563 WeakPolarHBondContact O-CD2 3.37Å; L559-F563 PolarHBondContact O-N 2.92Å; L559-W593 HydrophobicContact CD1-CZ3 4.1Å; L559-W593 HydrophobicContact CD2-CH2 3.66Å; L559-W593 HydrophobicContact CD2-CZ3 3.79Å; L559-Y599 HydrophobicContact CD1-CD2 4.28Å; L559-Y599 HydrophobicContact CD1-CE2 3.49Å; L559-Y599 VanDerWaalsContact CD1-CE2 3.49Å; L559-F603 HydrophobicContact CD1-CE1 4.26Å; L559-L607 HydrophobicContact CB-CD1 3.83Å; L559-L607 HydrophobicContact CB-CD2 4.15Å; L559-L607 HydrophobicContact CD1-CD1 4.17Å
560	S	95.7	Very high	95.5	Very high	23 Å²	23	43.5 Å²	43.5	16%	0.161	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-39.9	174.8	-58.2	0	0	0	0	112.5	K558 A564	K558-S560 VanDerWaalsContact C-N 3.31Å; K558-S560 PolarHBondContact O-N 3.14Å; S560-A564 PolarHBondContact O-N 3.02Å
561	Q	95.4	Very high	95.5	Very high	91 Å²	91	44.2 Å²	44.2	43%	0.425	22%	0.215	S	C	.	.	H	α-helix	trans	-69.9	-45.8	174.3	179.6	58.2	41.3	0	0	111.2	K558 L559 F563 A564 D565	K558-Q561 WeakPolarHBondContact O-CB 3.36Å; K558-Q561 PolarHBondContact O-N 2.67Å; L559-Q561 VanDerWaalsContact C-N 3.31Å; L559-Q561 PolarHBondContact O-N 2.74Å; Q561-F563 VanDerWaalsContact C-N 3.29Å; Q561-F563 PolarHBondContact O-N 3.33Å; Q561-A564 WeakPolarHBondContact O-CB 3.2Å; Q561-A564 PolarHBondContact O-N 2.95Å; Q561-A564 VanDerWaalsContact O-N 3.12Å; Q561-D565 PolarHBondContact NE2-OD1 3.34Å; Q561-D565 PolarHBondContact NE2-OD2 3.37Å; Q561-D565 PolarHBondContact O-N 2.79Å
562	I	96.6	Very high	95.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-54.3	-45.7	177.3	-69.1	167.9	0	0	0	111	T514 L517 F555 K558 L559 D565 L566	T514-I562 HydrophobicContact CG2-CD1 4.45Å; T514-I562 HydrophobicContact CG2-CG1 3.91Å; L517-I562 HydrophobicContact CD1-CD1 4.4Å; L517-I562 HydrophobicContact CD1-CG1 4.39Å; L517-I562 HydrophobicContact CD1-CG2 3.87Å; F555-I562 HydrophobicContact CD1-CD1 4.38Å; K558-I562 HydrophobicContact CB-CD1 4.31Å; K558-I562 WeakPolarHBondContact O-CG1 3.48Å; K558-I562 PolarHBondContact O-N 3.25Å; L559-I562 HydrophobicContact CD2-CD1 4.23Å; L559-I562 PolarHBondContact O-N 3.47Å; I562-D565 PolarHBondContact O-N 3.32Å; I562-L566 HydrophobicContact CG2-CD1 3.87Å; I562-L566 HydrophobicContact CG2-CG 4.46Å; I562-L566 WeakPolarHBondContact O-CB 3.42Å; I562-L566 VanDerWaalsContact O-CG 3.24Å; I562-L566 WeakPolarHBondContact O-CG 3.37Å; I562-L566 PolarHBondContact O-N 3.09Å
563	F	97	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-74.4	-27.4	-179.9	-75.6	-64.5	0	0	0	113.9	L531 L559 Q561 L566 N567 V586 F590 W593 L607 I610 F611	L531-F563 HydrophobicContact CD1-CE1 4.44Å; L531-F563 HydrophobicContact CD1-CZ 4.33Å; L559-F563 HydrophobicContact CD2-CD2 4.48Å; L559-F563 HydrophobicContact CD2-CE2 3.87Å; L559-F563 VanDerWaalsContact O-CD2 3.23Å; L559-F563 WeakPolarHBondContact O-CD2 3.37Å; L559-F563 PolarHBondContact O-N 2.92Å; Q561-F563 VanDerWaalsContact C-N 3.29Å; Q561-F563 PolarHBondContact O-N 3.33Å; F563-L566 HydrophobicContact CD1-CD1 3.71Å; F563-L566 HydrophobicContact CE1-CD1 3.84Å; F563-L566 PolarHBondContact O-N 2.66Å; F563-N567 WeakPolarHBondContact O-CB 3.37Å; F563-N567 PolarHBondContact O-N 2.98Å; F563-V586 HydrophobicContact CD1-CG1 4.22Å; F563-V586 HydrophobicContact CE1-CG1 3.75Å; F563-F590 AromaticContact CD1-CE2 3.98Å; F563-F590 HydrophobicContact CD1-CE2 3.98Å; F563-F590 AromaticContact CD1-CZ 3.65Å; F563-F590 HydrophobicContact CD1-CZ 3.65Å; F563-F590 HydrophobicContact CD2-CE1 4.29Å; F563-F590 AromaticContact CD2-CZ 3.84Å; F563-F590 HydrophobicContact CD2-CZ 3.84Å; F563-F590 HydrophobicContact CE1-CE1 4.15Å; F563-F590 AromaticContact CE1-CE2 3.57Å; F563-F590 HydrophobicContact CE1-CE2 3.57Å; F563-F590 AromaticContact CE1-CZ 3.33Å; F563-F590 HydrophobicContact CE1-CZ 3.33Å; F563-F590 AromaticContact CE2-CE1 3.67Å; F563-F590 HydrophobicContact CE2-CE1 3.67Å; F563-F590 AromaticContact CE2-CZ 3.52Å; F563-F590 HydrophobicContact CE2-CZ 3.52Å; F563-F590 AromaticContact CG-CZ 3.9Å; F563-F590 HydrophobicContact CG-CZ 3.9Å; F563-F590 HydrophobicContact CZ-CD1 4.47Å; F563-F590 AromaticContact CZ-CE1 3.6Å; F563-F590 HydrophobicContact CZ-CE1 3.6Å; F563-F590 AromaticContact CZ-CE2 3.88Å; F563-F590 HydrophobicContact CZ-CE2 3.88Å; F563-F590 AromaticContact CZ-CZ 3.26Å; F563-F590 HydrophobicContact CZ-CZ 3.26Å; F563-W593 HydrophobicContact CE2-CH2 4.09Å; F563-W593 AromaticContact CE2-CZ3 3.78Å; F563-W593 HydrophobicContact CE2-CZ3 3.78Å; F563-W593 AromaticContact CZ-CH2 3.87Å; F563-W593 HydrophobicContact CZ-CH2 3.87Å; F563-W593 AromaticContact CZ-CZ3 3.83Å; F563-W593 HydrophobicContact CZ-CZ3 3.83Å; F563-L607 HydrophobicContact CD2-CB 3.91Å; F563-L607 HydrophobicContact CD2-CD1 4.05Å; F563-L607 HydrophobicContact CD2-CD2 4.08Å; F563-L607 HydrophobicContact CD2-CG 4.24Å; F563-L607 HydrophobicContact CE2-CB 4.24Å; F563-L607 HydrophobicContact CE2-CD1 3.95Å; F563-I610 HydrophobicContact CB-CG2 4.1Å; F563-F611 HydrophobicContact CB-CB 4.16Å; F563-F611 HydrophobicContact CD1-CB 3.91Å; F563-F611 HydrophobicContact CD1-CD2 4.32Å; F563-F611 HydrophobicContact CD1-CG 4.24Å; F563-F611 HydrophobicContact CG-CB 4.34Å
564	A	95.7	Very high	95.1	Very high	26 Å²	26	48.5 Å²	48.5	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-42.9	168.9	0	0	0	0	0	111.6	S560 Q561 L566 N567 A568 I610 L617	S560-A564 PolarHBondContact O-N 3.02Å; Q561-A564 WeakPolarHBondContact O-CB 3.2Å; Q561-A564 PolarHBondContact O-N 2.95Å; Q561-A564 VanDerWaalsContact O-N 3.12Å; A564-L566 VanDerWaalsContact C-N 3.34Å; A564-L566 PolarHBondContact O-N 3.41Å; A564-N567 WeakPolarHBondContact O-CB 3.39Å; A564-N567 PolarHBondContact O-N 2.77Å; A564-N567 VanDerWaalsContact O-N 3.13Å; A564-A568 PolarHBondContact O-N 2.69Å; A564-I610 HydrophobicContact CB-CG2 4.03Å; A564-L617 HydrophobicContact CB-CD1 3.82Å
565	D	94.8	Very high	95	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-67.8	-32.9	175.3	-72.4	-39.3	0	0	0	112.6	S518 Q561 I562 T569	S518-D565 VanDerWaalsContact CB-OD2 3.24Å; S518-D565 WeakPolarHBondContact CB-OD2 3.46Å; S518-D565 PolarHBondContact OG-OD2 2.58Å; Q561-D565 PolarHBondContact NE2-OD1 3.34Å; Q561-D565 PolarHBondContact NE2-OD2 3.37Å; Q561-D565 PolarHBondContact O-N 2.79Å; I562-D565 PolarHBondContact O-N 3.32Å; D565-T569 WeakPolarHBondContact O-CB 3.38Å; D565-T569 PolarHBondContact O-N 3.01Å; D565-T569 PolarHBondContact O-OG1 3.26Å
566	L	95.6	Very high	94.7	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-32.7	169.9	-69.5	169.2	0	0	0	112	L531 I562 F563 A564 T569 Y570 F582 F611	L531-L566 HydrophobicContact CD1-CD1 4.25Å; L531-L566 HydrophobicContact CD2-CD1 4.13Å; I562-L566 HydrophobicContact CG2-CD1 3.87Å; I562-L566 HydrophobicContact CG2-CG 4.46Å; I562-L566 WeakPolarHBondContact O-CB 3.42Å; I562-L566 VanDerWaalsContact O-CG 3.24Å; I562-L566 WeakPolarHBondContact O-CG 3.37Å; I562-L566 PolarHBondContact O-N 3.09Å; F563-L566 HydrophobicContact CD1-CD1 3.71Å; F563-L566 HydrophobicContact CE1-CD1 3.84Å; F563-L566 PolarHBondContact O-N 2.66Å; A564-L566 VanDerWaalsContact C-N 3.34Å; A564-L566 PolarHBondContact O-N 3.41Å; L566-T569 WeakPolarHBondContact O-CB 3.36Å; L566-T569 PolarHBondContact O-N 2.97Å; L566-Y570 WeakPolarHBondContact O-CB 3.21Å; L566-Y570 PolarHBondContact O-N 2.95Å; L566-F582 HydrophobicContact CD2-CE1 4.45Å; L566-F582 HydrophobicContact CD2-CZ 3.74Å; L566-F611 HydrophobicContact CB-CD2 3.88Å; L566-F611 HydrophobicContact CB-CE2 3.99Å
567	N	95.1	Very high	94.6	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-67.5	-44.8	171.3	-179.2	-99.4	0	0	0	111.8	F563 A564 T569 Y570 K571 F611 G613	F563-N567 WeakPolarHBondContact O-CB 3.37Å; F563-N567 PolarHBondContact O-N 2.98Å; A564-N567 WeakPolarHBondContact O-CB 3.39Å; A564-N567 PolarHBondContact O-N 2.77Å; A564-N567 VanDerWaalsContact O-N 3.13Å; N567-T569 VanDerWaalsContact C-N 3.27Å; N567-T569 PolarHBondContact O-N 3.47Å; N567-Y570 PolarHBondContact O-N 3.36Å; N567-Y570 VanDerWaalsContact O-N 3.13Å; N567-K571 WeakPolarHBondContact O-CB 3.45Å; N567-K571 WeakPolarHBondContact O-CG 3.49Å; N567-K571 PolarHBondContact O-N 3.33Å; N567-K571 WeakPolarHBondContact OD1-CD 3.38Å; N567-K571 WeakPolarHBondContact OD1-CE 3.35Å; N567-K571 PolarHBondContact OD1-NZ 3.12Å; N567-F611 WeakPolarHBondContact CB-O 3.13Å; N567-F611 PolarHBondContact ND2-O 3.15Å; N567-G613 PolarHBondContact ND2-N 3.35Å
568	A	94.6	Very high	94.4	Very high	35 Å²	35	58.6 Å²	58.6	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-61.5	-36.5	173.6	0	0	0	0	0	112	L520 A564 T572	L520-A568 HydrophobicContact CD2-CB 3.99Å; A564-A568 PolarHBondContact O-N 2.69Å; A568-T572 PolarHBondContact O-N 3.16Å; A568-T572 PolarHBondContact O-OG1 3.41Å
569	T	94	Very high	94.3	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-48.5	170	-53.9	0	0	0	0	111.2	L524 K527 D565 L566 N567 K571 T572 I573 F582	L524-T569 HydrophobicContact CD2-CG2 3.55Å; K527-T569 HydrophobicContact CD-CG2 3.46Å; K527-T569 VanDerWaalsContact CD-CG2 3.46Å; K527-T569 WeakPolarHBondContact CE-OG1 3.27Å; K527-T569 PolarHBondContact NZ-OG1 3.4Å; D565-T569 WeakPolarHBondContact O-CB 3.38Å; D565-T569 PolarHBondContact O-N 3.01Å; D565-T569 PolarHBondContact O-OG1 3.26Å; L566-T569 WeakPolarHBondContact O-CB 3.36Å; L566-T569 PolarHBondContact O-N 2.97Å; N567-T569 VanDerWaalsContact C-N 3.27Å; N567-T569 PolarHBondContact O-N 3.47Å; T569-K571 PolarHBondContact O-N 2.93Å; T569-T572 PolarHBondContact O-N 2.94Å; T569-T572 VanDerWaalsContact O-N 3.15Å; T569-T572 PolarHBondContact O-OG1 3.13Å; T569-I573 WeakPolarHBondContact O-CG1 3.39Å; T569-F582 HydrophobicContact CG2-CE1 4.31Å; T569-F582 HydrophobicContact CG2-CE2 4.32Å; T569-F582 HydrophobicContact CG2-CZ 3.8Å
570	Y	94.9	Very high	94.3	Very high	61 Å²	61	59.1 Å²	59.1	24%	0.239	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-44.3	-179.6	172.7	-106.4	0	0	0	112	L566 N567 T572 I573 S579 F582 K583	L566-Y570 WeakPolarHBondContact O-CB 3.21Å; L566-Y570 PolarHBondContact O-N 2.95Å; N567-Y570 PolarHBondContact O-N 3.36Å; N567-Y570 VanDerWaalsContact O-N 3.13Å; Y570-T572 PolarHBondContact O-N 2.85Å; Y570-I573 PolarHBondContact O-N 3.23Å; Y570-S579 WeakPolarHBondContact CE2-O 3.36Å; Y570-F582 HydrophobicContact CD2-CD1 4.27Å; Y570-K583 HydrophobicContact CD2-CB 4.29Å; Y570-K583 HydrophobicContact CE2-CB 3.83Å; Y570-K583 HydrophobicContact CE2-CD 4.2Å; Y570-K583 HydrophobicContact CE2-CG 4.47Å
571	K	93.6	Very high	94.2	Very high	132 Å²	132	61.1 Å²	61.1	57%	0.574	32%	0.316	S	S	*	.	H	α-helix	trans	-61.1	-20.9	175.7	-76.7	171.1	171.8	160.9	0	114.2	N567 T569	N567-K571 WeakPolarHBondContact O-CB 3.45Å; N567-K571 WeakPolarHBondContact O-CG 3.49Å; N567-K571 PolarHBondContact O-N 3.33Å; N567-K571 WeakPolarHBondContact OD1-CD 3.38Å; N567-K571 WeakPolarHBondContact OD1-CE 3.35Å; N567-K571 PolarHBondContact OD1-NZ 3.12Å; T569-K571 PolarHBondContact O-N 2.93Å
572	T	94.3	Very high	94.2	Very high	98 Å²	98	57.1 Å²	57.1	60%	0.601	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	0.1	178.7	42	0	0	0	0	114.2	A568 T569 Y570 Q574	A568-T572 PolarHBondContact O-N 3.16Å; A568-T572 PolarHBondContact O-OG1 3.41Å; T569-T572 PolarHBondContact O-N 2.94Å; T569-T572 VanDerWaalsContact O-N 3.15Å; T569-T572 PolarHBondContact O-OG1 3.13Å; Y570-T572 PolarHBondContact O-N 2.85Å; T572-Q574 PolarHBondContact O-N 3.31Å
573	I	93.4	Very high	94.2	Very high	22 Å²	22	59.9 Å²	59.9	11%	0.113	31%	0.309	C	S	.	.			trans	-84.9	104.7	177.5	-55.3	169.4	0	0	0	110.6	L524 T569 Y570 G575 Q578 F582	L524-I573 HydrophobicContact CD1-CD1 3.74Å; L524-I573 HydrophobicContact CD1-CG1 3.88Å; L524-I573 HydrophobicContact CD1-CG2 4.38Å; L524-I573 HydrophobicContact CD2-CD1 3.82Å; L524-I573 HydrophobicContact CD2-CG1 3.96Å; L524-I573 HydrophobicContact CG-CD1 4.44Å; T569-I573 WeakPolarHBondContact O-CG1 3.39Å; Y570-I573 PolarHBondContact O-N 3.23Å; I573-G575 VanDerWaalsContact C-N 3.32Å; I573-G575 PolarHBondContact O-N 3.06Å; I573-Q578 HydrophobicContact CG2-CB 3.73Å; I573-F582 HydrophobicContact CD1-CB 3.82Å; I573-F582 HydrophobicContact CD1-CD1 3.96Å; I573-F582 HydrophobicContact CD1-CD2 4.44Å; I573-F582 HydrophobicContact CD1-CG 3.84Å
574	Q	90.4	Very high	94.2	Very high	201 Å²	201	64.9 Å²	64.9	94%	0.939	33%	0.332	S	S	*	.			trans	-68.6	-23.6	179.3	-66.4	-178.9	-20.5	0	0	114.6	T572	T572-Q574 PolarHBondContact O-N 3.31Å
575	G	92.6	Very high	94.2	Very high	29 Å²	29	68.5 Å²	68.5	30%	0.299	34%	0.34	S	S	.	.			trans	-94.1	110.6	-175.9	0	0	0	0	0	113	I573 L577 Q578 S579	I573-G575 VanDerWaalsContact C-N 3.32Å; I573-G575 PolarHBondContact O-N 3.06Å; G575-L577 VanDerWaalsContact C-N 3.31Å; G575-L577 PolarHBondContact O-N 3.07Å; G575-Q578 WeakPolarHBondContact O-CA 3.18Å; G575-Q578 WeakPolarHBondContact O-CB 3.43Å; G575-Q578 PolarHBondContact O-N 2.96Å; G575-S579 PolarHBondContact O-N 3.09Å
576	H	92	Very high	94.4	Very high	156 Å²	156	67.3 Å²	67.3	72%	0.722	33%	0.334	S	S	*	.	H	α-helix	trans	-47.8	-45.6	-179.4	-178.3	-84.3	0	0	0	114.4	Q578 S579 E580	H576-Q578 VanDerWaalsContact C-N 3.27Å; H576-Q578 PolarHBondContact O-N 3.18Å; H576-S579 WeakPolarHBondContact CA-OG 3.18Å; H576-S579 PolarHBondContact O-N 3.11Å; H576-S579 PolarHBondContact O-OG 3.14Å; H576-E580 WeakPolarHBondContact O-CB 3.48Å; H576-E580 PolarHBondContact O-N 3.35Å
577	L	93.3	Very high	94.4	Very high	132 Å²	132	69.5 Å²	69.5	69%	0.691	35%	0.345	S	S	*	.	H	α-helix	trans	-64.7	-32.4	177.8	-178	62.4	0	0	0	112.4	G575 N581	G575-L577 VanDerWaalsContact C-N 3.31Å; G575-L577 PolarHBondContact O-N 3.07Å; L577-N581 VanDerWaalsContact O-CB 3.28Å; L577-N581 WeakPolarHBondContact O-CB 2.87Å; L577-N581 PolarHBondContact O-N 2.98Å; L577-N581 VanDerWaalsContact O-N 3.17Å; L577-N581 PolarHBondContact O-ND2 3.04Å
578	Q	92.4	Very high	94.5	Very high	123 Å²	123	72.3 Å²	72.3	58%	0.575	37%	0.365	S	S	*	.	H	α-helix	trans	-78.4	-38.7	178.8	-63.8	-178.4	-9.8	0	0	111.9	I573 G575 H576 F582	I573-Q578 HydrophobicContact CG2-CB 3.73Å; G575-Q578 WeakPolarHBondContact O-CA 3.18Å; G575-Q578 WeakPolarHBondContact O-CB 3.43Å; G575-Q578 PolarHBondContact O-N 2.96Å; H576-Q578 VanDerWaalsContact C-N 3.27Å; H576-Q578 PolarHBondContact O-N 3.18Å; Q578-F582 WeakPolarHBondContact O-CB 3.47Å; Q578-F582 PolarHBondContact O-N 3.38Å
579	S	93.4	Very high	94.6	Very high	16 Å²	16	70.9 Å²	70.9	11%	0.112	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-45.3	177.9	58.6	0	0	0	0	111.1	Y570 G575 H576 F582 K583	Y570-S579 WeakPolarHBondContact CE2-O 3.36Å; G575-S579 PolarHBondContact O-N 3.09Å; H576-S579 WeakPolarHBondContact CA-OG 3.18Å; H576-S579 PolarHBondContact O-N 3.11Å; H576-S579 PolarHBondContact O-OG 3.14Å; S579-F582 WeakPolarHBondContact O-CB 3.39Å; S579-F582 PolarHBondContact O-N 2.87Å; S579-K583 WeakPolarHBondContact O-CB 3.42Å; S579-K583 PolarHBondContact O-N 3.02Å
580	E	94.9	Very high	94.7	Very high	54 Å²	54	70.8 Å²	70.8	25%	0.252	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-39.9	175.7	-175.8	55.9	-145.7	0	0	111.6	H576 F582 K583 Q584	H576-E580 WeakPolarHBondContact O-CB 3.48Å; H576-E580 PolarHBondContact O-N 3.35Å; E580-F582 VanDerWaalsContact C-N 3.32Å; E580-F582 PolarHBondContact O-N 3.4Å; E580-K583 PolarHBondContact O-N 3.11Å; E580-K583 IonicContact OE1-NZ 2.79Å; E580-K583 WeakPolarHBondContact OE2-CD 3.3Å; E580-K583 IonicContact OE2-NZ 3.04Å; E580-K583 PolarHBondContact OE2-NZ 3.05Å; E580-Q584 WeakPolarHBondContact O-CB 3.18Å; E580-Q584 VanDerWaalsContact O-CG 3.26Å; E580-Q584 WeakPolarHBondContact O-CG 3.16Å; E580-Q584 PolarHBondContact O-N 3.3Å; E580-Q584 WeakPolarHBondContact OE1-CG 3.43Å; E580-Q584 PolarHBondContact OE1-NE2 3.18Å
581	N	94.3	Very high	94.8	Very high	66 Å²	66	74.4 Å²	74.4	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-61.8	-36.4	171.5	-95.5	-98.7	0	0	0	113.2	L577 R585	L577-N581 VanDerWaalsContact O-CB 3.28Å; L577-N581 WeakPolarHBondContact O-CB 2.87Å; L577-N581 PolarHBondContact O-N 2.98Å; L577-N581 VanDerWaalsContact O-N 3.17Å; L577-N581 PolarHBondContact O-ND2 3.04Å; N581-R585 WeakPolarHBondContact O-CG 3.43Å; N581-R585 PolarHBondContact O-N 3.36Å
582	F	96.4	Very high	94.9	Very high	7 Å²	7	69 Å²	69	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-51.7	177.1	-178.4	-98.8	0	0	0	110.3	L524 K527 I528 L566 T569 Y570 I573 Q578 S579 E580 Q584 R585 V586 F611	L524-F582 HydrophobicContact CB-CD2 4.24Å; L524-F582 HydrophobicContact CB-CE2 4.49Å; L524-F582 HydrophobicContact CD2-CD2 4.2Å; L524-F582 HydrophobicContact CD2-CE2 4.13Å; K527-F582 HydrophobicContact CB-CE2 4.39Å; I528-F582 HydrophobicContact CD1-CD2 3.67Å; I528-F582 HydrophobicContact CD1-CE2 3.72Å; I528-F582 HydrophobicContact CD1-CG 4.43Å; I528-F582 HydrophobicContact CG1-CD2 3.82Å; I528-F582 HydrophobicContact CG1-CE2 3.92Å; L566-F582 HydrophobicContact CD2-CE1 4.45Å; L566-F582 HydrophobicContact CD2-CZ 3.74Å; T569-F582 HydrophobicContact CG2-CE1 4.31Å; T569-F582 HydrophobicContact CG2-CE2 4.32Å; T569-F582 HydrophobicContact CG2-CZ 3.8Å; Y570-F582 HydrophobicContact CD2-CD1 4.27Å; I573-F582 HydrophobicContact CD1-CB 3.82Å; I573-F582 HydrophobicContact CD1-CD1 3.96Å; I573-F582 HydrophobicContact CD1-CD2 4.44Å; I573-F582 HydrophobicContact CD1-CG 3.84Å; Q578-F582 WeakPolarHBondContact O-CB 3.47Å; Q578-F582 PolarHBondContact O-N 3.38Å; S579-F582 WeakPolarHBondContact O-CB 3.39Å; S579-F582 PolarHBondContact O-N 2.87Å; E580-F582 VanDerWaalsContact C-N 3.32Å; E580-F582 PolarHBondContact O-N 3.4Å; F582-Q584 PolarHBondContact O-N 3.36Å; F582-R585 PolarHBondContact O-N 2.77Å; F582-R585 VanDerWaalsContact O-N 3.15Å; F582-V586 HydrophobicContact CD1-CG2 4.34Å; F582-V586 HydrophobicContact CE1-CG2 4.16Å; F582-V586 HydrophobicContact CZ-CG2 4.45Å; F582-V586 WeakPolarHBondContact O-CG2 3.24Å; F582-V586 PolarHBondContact O-N 3.39Å; F582-F611 HydrophobicContact CE1-CE2 4.23Å; F582-F611 HydrophobicContact CE1-CZ 4.48Å
583	K	96.3	Very high	94.9	Very high	57 Å²	57	64.3 Å²	64.3	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-53.7	-48.7	175.3	176.3	-172.2	162.4	-154.3	0	112.3	Y570 S579 E580 R585 V586 M587 F611	Y570-K583 HydrophobicContact CD2-CB 4.29Å; Y570-K583 HydrophobicContact CE2-CB 3.83Å; Y570-K583 HydrophobicContact CE2-CD 4.2Å; Y570-K583 HydrophobicContact CE2-CG 4.47Å; S579-K583 WeakPolarHBondContact O-CB 3.42Å; S579-K583 PolarHBondContact O-N 3.02Å; E580-K583 PolarHBondContact O-N 3.11Å; E580-K583 IonicContact OE1-NZ 2.79Å; E580-K583 WeakPolarHBondContact OE2-CD 3.3Å; E580-K583 IonicContact OE2-NZ 3.04Å; E580-K583 PolarHBondContact OE2-NZ 3.05Å; K583-R585 VanDerWaalsContact C-N 3.29Å; K583-R585 PolarHBondContact O-N 3.12Å; K583-V586 PolarHBondContact O-N 2.77Å; K583-V586 VanDerWaalsContact O-N 3.11Å; K583-M587 HydrophobicContact CG-CG 4.34Å; K583-M587 WeakPolarHBondContact O-CG 3.19Å; K583-M587 PolarHBondContact O-N 3.46Å; K583-F611 HydrophobicContact CB-CE1 4.45Å; K583-F611 HydrophobicContact CB-CZ 4.45Å; K583-F611 HydrophobicContact CG-CE1 4.17Å
584	Q	96.8	Very high	95	Very high	106 Å²	106	67 Å²	67	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-38.6	178.4	-74.6	174.1	8.5	0	0	112.8	E580 F582 S588	E580-Q584 WeakPolarHBondContact O-CB 3.18Å; E580-Q584 VanDerWaalsContact O-CG 3.26Å; E580-Q584 WeakPolarHBondContact O-CG 3.16Å; E580-Q584 PolarHBondContact O-N 3.3Å; E580-Q584 WeakPolarHBondContact OE1-CG 3.43Å; E580-Q584 PolarHBondContact OE1-NE2 3.18Å; F582-Q584 PolarHBondContact O-N 3.36Å; Q584-S588 WeakPolarHBondContact O-CB 3.25Å; Q584-S588 PolarHBondContact O-N 3.06Å
585	R	96.3	Very high	95.3	Very high	102 Å²	102	63.9 Å²	63.9	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-71.2	-34.2	176.5	-67.6	179.5	-166.9	-144.6	1.6	113.1	I528 N581 F582 K583 C589	I528-R585 HydrophobicContact CD1-CB 3.81Å; I528-R585 HydrophobicContact CG2-CB 4.46Å; N581-R585 WeakPolarHBondContact O-CG 3.43Å; N581-R585 PolarHBondContact O-N 3.36Å; F582-R585 PolarHBondContact O-N 2.77Å; F582-R585 VanDerWaalsContact O-N 3.15Å; K583-R585 VanDerWaalsContact C-N 3.29Å; K583-R585 PolarHBondContact O-N 3.12Å; R585-C589 PolarHBondContact O-N 3.44Å; R585-C589 PolarHBondContact O-SG 2.86Å
586	V	97	Very high	95.3	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-47.3	173.7	178.9	0	0	0	0	110.5	I528 L531 F563 F582 K583 S588 C589 F590 F611	I528-V586 HydrophobicContact CD1-CG2 4.11Å; L531-V586 HydrophobicContact CD2-CB 4.28Å; L531-V586 HydrophobicContact CD2-CG1 4.18Å; L531-V586 HydrophobicContact CD2-CG2 3.88Å; F563-V586 HydrophobicContact CD1-CG1 4.22Å; F563-V586 HydrophobicContact CE1-CG1 3.75Å; F582-V586 HydrophobicContact CD1-CG2 4.34Å; F582-V586 HydrophobicContact CE1-CG2 4.16Å; F582-V586 HydrophobicContact CZ-CG2 4.45Å; F582-V586 WeakPolarHBondContact O-CG2 3.24Å; F582-V586 PolarHBondContact O-N 3.39Å; K583-V586 PolarHBondContact O-N 2.77Å; K583-V586 VanDerWaalsContact O-N 3.11Å; V586-S588 VanDerWaalsContact C-N 3.26Å; V586-S588 PolarHBondContact O-N 2.78Å; V586-C589 WeakPolarHBondContact O-CB 3.43Å; V586-C589 PolarHBondContact O-N 2.95Å; V586-F590 HydrophobicContact CG1-CD2 4.44Å; V586-F590 HydrophobicContact CG1-CE2 4.08Å; V586-F590 PolarHBondContact O-N 3.45Å; V586-F611 HydrophobicContact CB-CD1 4.32Å; V586-F611 HydrophobicContact CB-CE1 3.71Å; V586-F611 HydrophobicContact CB-CE2 4.22Å; V586-F611 HydrophobicContact CB-CZ 3.67Å; V586-F611 HydrophobicContact CG1-CD1 3.66Å; V586-F611 HydrophobicContact CG1-CD2 3.96Å; V586-F611 HydrophobicContact CG1-CE1 3.57Å; V586-F611 HydrophobicContact CG1-CE2 3.9Å; V586-F611 HydrophobicContact CG1-CG 3.86Å; V586-F611 HydrophobicContact CG1-CZ 3.71Å; V586-F611 HydrophobicContact CG2-CE1 4.37Å; V586-F611 HydrophobicContact CG2-CE2 4.07Å; V586-F611 HydrophobicContact CG2-CZ 3.81Å
587	M	96.2	Very high	95.4	Very high	47 Å²	47	63 Å²	63	23%	0.232	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-32.9	175.6	-62.2	-54.3	-66.1	0	0	112.6	K583 C589 F590 R591 Q608 F611	K583-M587 HydrophobicContact CG-CG 4.34Å; K583-M587 WeakPolarHBondContact O-CG 3.19Å; K583-M587 PolarHBondContact O-N 3.46Å; M587-C589 PolarHBondContact O-N 3.36Å; M587-F590 PolarHBondContact O-N 2.77Å; M587-F590 HydrophobicContact SD-CD2 4.09Å; M587-R591 PolarHBondContact O-N 2.79Å; M587-Q608 HydrophobicContact CE-CG 4.14Å; M587-Q608 VanDerWaalsContact CE-OE1 3.3Å; M587-F611 HydrophobicContact SD-CD1 4.15Å; M587-F611 HydrophobicContact SD-CE1 4.35Å
588	S	96.9	Very high	95.3	Very high	72 Å²	72	57 Å²	57	50%	0.503	28%	0.283	S	S	.	.	H	α-helix	trans	-64	-24.5	172.6	-172.9	0	0	0	0	113.6	Q584 V586 A592	Q584-S588 WeakPolarHBondContact O-CB 3.25Å; Q584-S588 PolarHBondContact O-N 3.06Å; V586-S588 VanDerWaalsContact C-N 3.26Å; V586-S588 PolarHBondContact O-N 2.78Å; S588-A592 PolarHBondContact O-N 2.72Å
589	C	96.5	Very high	95.5	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-42.3	173.3	-57.2	0	0	0	0	110.4	L531 R585 V586 M587 R591 A592 W593	L531-C589 HydrophobicContact CD2-CB 4.42Å; R585-C589 PolarHBondContact O-N 3.44Å; R585-C589 PolarHBondContact O-SG 2.86Å; V586-C589 WeakPolarHBondContact O-CB 3.43Å; V586-C589 PolarHBondContact O-N 2.95Å; M587-C589 PolarHBondContact O-N 3.36Å; C589-R591 PolarHBondContact O-N 2.87Å; C589-A592 WeakPolarHBondContact O-CB 3.28Å; C589-A592 PolarHBondContact O-N 2.67Å; C589-W593 HydrophobicContact CB-CZ2 4.43Å; C589-W593 VanDerWaalsContact O-CG 3.25Å; C589-W593 PolarHBondContact O-N 3.05Å
590	F	96.8	Very high	95.6	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-58.4	-45.2	174.4	-75.2	-61.5	0	0	0	112.6	F563 V586 M587 A592 W593 E594 L604 L607 Q608 F611	F563-F590 AromaticContact CD1-CE2 3.98Å; F563-F590 HydrophobicContact CD1-CE2 3.98Å; F563-F590 AromaticContact CD1-CZ 3.65Å; F563-F590 HydrophobicContact CD1-CZ 3.65Å; F563-F590 HydrophobicContact CD2-CE1 4.29Å; F563-F590 AromaticContact CD2-CZ 3.84Å; F563-F590 HydrophobicContact CD2-CZ 3.84Å; F563-F590 HydrophobicContact CE1-CE1 4.15Å; F563-F590 AromaticContact CE1-CE2 3.57Å; F563-F590 HydrophobicContact CE1-CE2 3.57Å; F563-F590 AromaticContact CE1-CZ 3.33Å; F563-F590 HydrophobicContact CE1-CZ 3.33Å; F563-F590 AromaticContact CE2-CE1 3.67Å; F563-F590 HydrophobicContact CE2-CE1 3.67Å; F563-F590 AromaticContact CE2-CZ 3.52Å; F563-F590 HydrophobicContact CE2-CZ 3.52Å; F563-F590 AromaticContact CG-CZ 3.9Å; F563-F590 HydrophobicContact CG-CZ 3.9Å; F563-F590 HydrophobicContact CZ-CD1 4.47Å; F563-F590 AromaticContact CZ-CE1 3.6Å; F563-F590 HydrophobicContact CZ-CE1 3.6Å; F563-F590 AromaticContact CZ-CE2 3.88Å; F563-F590 HydrophobicContact CZ-CE2 3.88Å; F563-F590 AromaticContact CZ-CZ 3.26Å; F563-F590 HydrophobicContact CZ-CZ 3.26Å; V586-F590 HydrophobicContact CG1-CD2 4.44Å; V586-F590 HydrophobicContact CG1-CE2 4.08Å; V586-F590 PolarHBondContact O-N 3.45Å; M587-F590 PolarHBondContact O-N 2.77Å; M587-F590 HydrophobicContact SD-CD2 4.09Å; F590-A592 VanDerWaalsContact C-N 3.32Å; F590-A592 PolarHBondContact O-N 2.76Å; F590-W593 PolarHBondContact O-N 3.41Å; F590-W593 VanDerWaalsContact O-N 3.13Å; F590-E594 WeakPolarHBondContact O-CB 3.37Å; F590-E594 PolarHBondContact O-N 2.65Å; F590-L604 HydrophobicContact CD1-CD2 4.46Å; F590-L607 HydrophobicContact CE1-CB 3.56Å; F590-L607 HydrophobicContact CE1-CD1 4.37Å; F590-L607 HydrophobicContact CZ-CB 3.81Å; F590-Q608 HydrophobicContact CB-CG 4.15Å; F590-Q608 HydrophobicContact CD1-CG 3.81Å; F590-Q608 HydrophobicContact CD2-CG 3.51Å; F590-Q608 HydrophobicContact CE1-CG 4Å; F590-Q608 HydrophobicContact CE2-CB 4.47Å; F590-Q608 HydrophobicContact CE2-CG 3.7Å; F590-Q608 HydrophobicContact CG-CG 3.56Å; F590-Q608 HydrophobicContact CZ-CG 3.93Å; F590-F611 HydrophobicContact CE2-CB 4.24Å; F590-F611 HydrophobicContact CE2-CD1 4.43Å
591	R	96.2	Very high	95.6	Very high	137 Å²	137	57 Å²	57	52%	0.517	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-40.9	174.9	-67.3	-49.9	-168.9	-174.6	0.7	112.7	M587 C589 W593 E594 D595	M587-R591 PolarHBondContact O-N 2.79Å; C589-R591 PolarHBondContact O-N 2.87Å; R591-W593 VanDerWaalsContact C-N 3.35Å; R591-W593 PolarHBondContact O-N 3.45Å; R591-E594 WeakPolarHBondContact CD-OE2 3.29Å; R591-E594 IonicContact CZ-OE2 3.12Å; R591-E594 IonicContact NE-OE2 2.67Å; R591-E594 IonicContact NH1-OE1 2.67Å; R591-E594 PolarHBondContact NH1-OE1 3.02Å; R591-E594 IonicContact NH1-OE2 2.72Å; R591-E594 PolarHBondContact NH1-OE2 3.01Å; R591-E594 WeakPolarHBondContact O-CB 3.5Å; R591-E594 PolarHBondContact O-N 2.67Å; R591-D595 WeakPolarHBondContact O-CB 3.5Å; R591-D595 VanDerWaalsContact O-CG 3.24Å; R591-D595 PolarHBondContact O-N 3.08Å
592	A	95.6	Very high	95.6	Very high	18 Å²	18	58.5 Å²	58.5	15%	0.149	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-39.5	174.8	0	0	0	0	0	112.2	S588 C589 F590 D595 W596	S588-A592 PolarHBondContact O-N 2.72Å; C589-A592 WeakPolarHBondContact O-CB 3.28Å; C589-A592 PolarHBondContact O-N 2.67Å; F590-A592 VanDerWaalsContact C-N 3.32Å; F590-A592 PolarHBondContact O-N 2.76Å; A592-D595 PolarHBondContact O-N 3.11Å; A592-W596 HydrophobicContact CB-CD2 4.31Å; A592-W596 HydrophobicContact CB-CE3 4.31Å; A592-W596 HydrophobicContact CB-CH2 3.84Å; A592-W596 HydrophobicContact CB-CZ2 3.8Å; A592-W596 HydrophobicContact CB-CZ3 4.08Å; A592-W596 VanDerWaalsContact O-CB 3.3Å; A592-W596 WeakPolarHBondContact O-CB 3.43Å; A592-W596 PolarHBondContact O-N 3.24Å
593	W	95.8	Very high	95.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-74.4	-27.6	-178.6	-59.6	-2.6	0	0	0	113.3	L531 V534 S535 L538 L559 F563 C589 F590 R591 W596 A597 V598 L604	L531-W593 HydrophobicContact CD1-CH2 4.36Å; L531-W593 HydrophobicContact CD1-CZ2 4.44Å; V534-W593 HydrophobicContact CG1-CH2 4.13Å; V534-W593 HydrophobicContact CG1-CZ2 4.11Å; S535-W593 PolarHBondContact OG-NE1 3.32Å; L538-W593 HydrophobicContact CD1-CD2 4.28Å; L538-W593 HydrophobicContact CD1-CE3 4.44Å; L538-W593 HydrophobicContact CD1-CH2 3.94Å; L538-W593 HydrophobicContact CD1-CZ2 3.75Å; L538-W593 HydrophobicContact CD1-CZ3 4.27Å; L559-W593 HydrophobicContact CD1-CZ3 4.1Å; L559-W593 HydrophobicContact CD2-CH2 3.66Å; L559-W593 HydrophobicContact CD2-CZ3 3.79Å; F563-W593 HydrophobicContact CE2-CH2 4.09Å; F563-W593 AromaticContact CE2-CZ3 3.78Å; F563-W593 HydrophobicContact CE2-CZ3 3.78Å; F563-W593 AromaticContact CZ-CH2 3.87Å; F563-W593 HydrophobicContact CZ-CH2 3.87Å; F563-W593 AromaticContact CZ-CZ3 3.83Å; F563-W593 HydrophobicContact CZ-CZ3 3.83Å; C589-W593 HydrophobicContact CB-CZ2 4.43Å; C589-W593 VanDerWaalsContact O-CG 3.25Å; C589-W593 PolarHBondContact O-N 3.05Å; F590-W593 PolarHBondContact O-N 3.41Å; F590-W593 VanDerWaalsContact O-N 3.13Å; R591-W593 VanDerWaalsContact C-N 3.35Å; R591-W593 PolarHBondContact O-N 3.45Å; W593-W596 AromaticContact CD1-CE3 3.92Å; W593-W596 AromaticContact CD1-CZ3 3.83Å; W593-A597 PolarHBondContact O-N 3.44Å; W593-A597 VanDerWaalsContact O-N 3.14Å; W593-V598 HydrophobicContact CB-CB 4.19Å; W593-V598 HydrophobicContact CB-CG2 4.16Å; W593-V598 HydrophobicContact CG-CG2 4.41Å; W593-V598 PolarHBondContact O-N 3.04Å; W593-L604 HydrophobicContact CB-CD1 4.48Å; W593-L604 HydrophobicContact CB-CD2 4.15Å; W593-L604 HydrophobicContact CE3-CD2 4.14Å
594	E	95.1	Very high	95.6	Very high	80 Å²	80	57.8 Å²	57.8	37%	0.374	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-55.7	167.6	-175.9	-179.8	-163.3	0	0	110.1	F590 R591 W596 A597 L604	F590-E594 WeakPolarHBondContact O-CB 3.37Å; F590-E594 PolarHBondContact O-N 2.65Å; R591-E594 WeakPolarHBondContact CD-OE2 3.29Å; R591-E594 IonicContact CZ-OE2 3.12Å; R591-E594 IonicContact NE-OE2 2.67Å; R591-E594 IonicContact NH1-OE1 2.67Å; R591-E594 PolarHBondContact NH1-OE1 3.02Å; R591-E594 IonicContact NH1-OE2 2.72Å; R591-E594 PolarHBondContact NH1-OE2 3.01Å; R591-E594 WeakPolarHBondContact O-CB 3.5Å; R591-E594 PolarHBondContact O-N 2.67Å; E594-W596 PolarHBondContact O-N 3.05Å; E594-W596 VanDerWaalsContact O-N 3.14Å; E594-A597 PolarHBondContact O-N 3.15Å; E594-L604 HydrophobicContact CB-CD1 4.19Å
595	D	95.8	Very high	95.5	Very high	134 Å²	134	56.8 Å²	56.8	72%	0.717	30%	0.299	S	S	*	.	H	α-helix	trans	-55.1	-32.6	176	-74.1	-25	0	0	0	113.5	R591 A592	R591-D595 WeakPolarHBondContact O-CB 3.5Å; R591-D595 VanDerWaalsContact O-CG 3.24Å; R591-D595 PolarHBondContact O-N 3.08Å; A592-D595 PolarHBondContact O-N 3.11Å
596	W	94.6	Very high	95.5	Very high	101 Å²	101	55.2 Å²	55.2	38%	0.383	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.4	-179.4	-55.4	-19.6	0	0	0	114.1	S535 Y539 A592 W593 E594 V598	S535-W596 WeakPolarHBondContact OG-CZ3 3.41Å; Y539-W596 AromaticContact CD2-CD2 3.44Å; Y539-W596 HydrophobicContact CD2-CD2 3.44Å; Y539-W596 VanDerWaalsContact CD2-CD2 3.44Å; Y539-W596 AromaticContact CD2-CE2 3.62Å; Y539-W596 AromaticContact CD2-CE3 3.64Å; Y539-W596 HydrophobicContact CD2-CE3 3.64Å; Y539-W596 AromaticContact CD2-CG 3.9Å; Y539-W596 HydrophobicContact CD2-CG 3.9Å; Y539-W596 HydrophobicContact CD2-CH2 4.11Å; Y539-W596 AromaticContact CD2-CZ2 3.96Å; Y539-W596 HydrophobicContact CD2-CZ2 3.96Å; Y539-W596 AromaticContact CD2-CZ3 3.98Å; Y539-W596 HydrophobicContact CD2-CZ3 3.98Å; Y539-W596 AromaticContact CE2-CD2 3.99Å; Y539-W596 HydrophobicContact CE2-CD2 3.99Å; Y539-W596 AromaticContact CE2-CE2 3.87Å; Y539-W596 HydrophobicContact CE2-CG 4.1Å; Y539-W596 HydrophobicContact CE2-CZ2 4.36Å; Y539-W596 AromaticContact CE2-NE1 3.95Å; Y539-W596 HydrophobicContact CG-CD2 4.44Å; Y539-W596 HydrophobicContact CG-CE3 4.28Å; Y539-W596 HydrophobicContact CG-CH2 4.32Å; Y539-W596 HydrophobicContact CG-CZ2 4.5Å; Y539-W596 HydrophobicContact CG-CZ3 4.22Å; A592-W596 HydrophobicContact CB-CD2 4.31Å; A592-W596 HydrophobicContact CB-CE3 4.31Å; A592-W596 HydrophobicContact CB-CH2 3.84Å; A592-W596 HydrophobicContact CB-CZ2 3.8Å; A592-W596 HydrophobicContact CB-CZ3 4.08Å; A592-W596 VanDerWaalsContact O-CB 3.3Å; A592-W596 WeakPolarHBondContact O-CB 3.43Å; A592-W596 PolarHBondContact O-N 3.24Å; W593-W596 AromaticContact CD1-CE3 3.92Å; W593-W596 AromaticContact CD1-CZ3 3.83Å; E594-W596 PolarHBondContact O-N 3.05Å; E594-W596 VanDerWaalsContact O-N 3.14Å; W596-V598 VanDerWaalsContact C-N 3.32Å; W596-V598 HydrophobicContact CB-CG2 3.76Å; W596-V598 HydrophobicContact CE3-CG2 4.03Å; W596-V598 PolarHBondContact O-N 3.19Å
597	A	93.5	Very high	95.5	Very high	65 Å²	65	55.2 Å²	55.2	54%	0.537	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.6	-174.3	0	0	0	0	0	114.2	R552 W593 E594	R552-A597 PolarHBondContact NH2-O 2.94Å; W593-A597 PolarHBondContact O-N 3.44Å; W593-A597 VanDerWaalsContact O-N 3.14Å; E594-A597 PolarHBondContact O-N 3.15Å
598	V	91.8	Very high	95.4	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.042	29%	0.291	C	S	.	.			trans	-71.5	-30	-178.8	-170.9	0	0	0	0	111.8	L538 R552 W593 W596	L538-V598 HydrophobicContact CB-CG1 4.06Å; L538-V598 HydrophobicContact CD1-CG1 4.37Å; L538-V598 HydrophobicContact CD2-CG1 3.99Å; L538-V598 HydrophobicContact CG-CG1 4.38Å; R552-V598 PolarHBondContact NE-O 3.31Å; R552-V598 PolarHBondContact NH2-O 3.15Å; W593-V598 HydrophobicContact CB-CB 4.19Å; W593-V598 HydrophobicContact CB-CG2 4.16Å; W593-V598 HydrophobicContact CG-CG2 4.41Å; W593-V598 PolarHBondContact O-N 3.04Å; W596-V598 VanDerWaalsContact C-N 3.32Å; W596-V598 HydrophobicContact CB-CG2 3.76Å; W596-V598 HydrophobicContact CE3-CG2 4.03Å; W596-V598 PolarHBondContact O-N 3.19Å
599	Y	95.6	Very high	95.4	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.02	28%	0.281	C	S	.	.	S	Bend	trans	-144.9	159.3	171.5	-63.5	-76.5	0	0	0	110.2	L538 R552 E556 L559 F603 L604	L538-Y599 HydrophobicContact CD1-CE2 4.17Å; L538-Y599 HydrophobicContact CD2-CE2 4.13Å; L538-Y599 WeakPolarHBondContact CD2-OH 3.35Å; R552-Y599 HydrophobicContact CG-CE1 3.97Å; R552-Y599 PolarHBondContact O-OH 3.06Å; E556-Y599 HydrophobicContact CB-CE1 3.77Å; E556-Y599 HydrophobicContact CG-CD1 4.14Å; E556-Y599 HydrophobicContact CG-CE1 3.73Å; E556-Y599 PolarHBondContact N-OH 3.11Å; L559-Y599 HydrophobicContact CD1-CD2 4.28Å; L559-Y599 HydrophobicContact CD1-CE2 3.49Å; L559-Y599 VanDerWaalsContact CD1-CE2 3.49Å; Y599-F603 HydrophobicContact CD1-CD1 4.02Å; Y599-F603 AromaticContact CD1-CE1 3.91Å; Y599-F603 HydrophobicContact CD1-CE1 3.91Å; Y599-F603 HydrophobicContact CD2-CD1 4.27Å; Y599-F603 HydrophobicContact CD2-CE1 4.1Å; Y599-F603 HydrophobicContact CE1-CE1 4.32Å; Y599-F603 HydrophobicContact CE2-CE1 4.47Å; Y599-F603 AromaticContact CG-CD1 3.69Å; Y599-F603 HydrophobicContact CG-CD1 3.69Å; Y599-F603 AromaticContact CG-CE1 3.8Å; Y599-F603 HydrophobicContact CG-CE1 3.8Å; Y599-L604 HydrophobicContact CD2-CD2 4.23Å
600	P	95.8	Very high	95.4	Very high	84 Å²	84	53.6 Å²	53.6	55%	0.545	28%	0.28	S	S	.	.			trans	-60.8	142.9	175	-21.9	33.9	0	0	0	112.2	P602 F603 L604	P600-P602 VanDerWaalsContact C-CD 3.41Å; P600-P602 VanDerWaalsContact C-N 3.33Å; P600-F603 WeakPolarHBondContact O-CB 3.23Å; P600-F603 PolarHBondContact O-N 3.19Å; P600-L604 PolarHBondContact O-N 2.86Å; P600-L604 VanDerWaalsContact O-N 3.16Å
601	D	94.6	Very high	95.3	Very high	103 Å²	103	53.6 Å²	53.6	55%	0.551	28%	0.28	S	S	*	.	H	α-helix	trans	-50.6	-42.2	-177.4	-42.6	-16.1	0	0	0	113.7	F603 L604 I605	D601-F603 VanDerWaalsContact C-N 3.26Å; D601-F603 PolarHBondContact O-N 2.61Å; D601-L604 PolarHBondContact O-N 3.41Å; D601-I605 WeakPolarHBondContact O-CB 3.3Å; D601-I605 WeakPolarHBondContact O-CD1 3.46Å; D601-I605 VanDerWaalsContact O-CG1 3.23Å; D601-I605 WeakPolarHBondContact O-CG1 3.48Å; D601-I605 PolarHBondContact O-N 3.22Å
602	P	95.2	Very high	95.3	Very high	99 Å²	99	50.2 Å²	50.2	64%	0.643	27%	0.272	S	S	*	.	H	α-helix	trans	-59.3	-33.8	176.9	-25.4	36.1	0	0	0	113.9	P600 K606	P600-P602 VanDerWaalsContact C-CD 3.41Å; P600-P602 VanDerWaalsContact C-N 3.33Å; P602-K606 PolarHBondContact O-N 3.12Å
603	F	95.9	Very high	95.1	Very high	44 Å²	44	50.6 Å²	50.6	19%	0.193	28%	0.278	C	S	.	.	H	α-helix	trans	-73.4	-45.3	175.6	-179.4	-102.4	0	0	0	110.9	E556 L559 Y599 P600 D601 I605 K606 L607	E556-F603 HydrophobicContact CG-CE1 4.2Å; E556-F603 HydrophobicContact CG-CE2 4.2Å; E556-F603 HydrophobicContact CG-CZ 3.78Å; L559-F603 HydrophobicContact CD1-CE1 4.26Å; Y599-F603 HydrophobicContact CD1-CD1 4.02Å; Y599-F603 AromaticContact CD1-CE1 3.91Å; Y599-F603 HydrophobicContact CD1-CE1 3.91Å; Y599-F603 HydrophobicContact CD2-CD1 4.27Å; Y599-F603 HydrophobicContact CD2-CE1 4.1Å; Y599-F603 HydrophobicContact CE1-CE1 4.32Å; Y599-F603 HydrophobicContact CE2-CE1 4.47Å; Y599-F603 AromaticContact CG-CD1 3.69Å; Y599-F603 HydrophobicContact CG-CD1 3.69Å; Y599-F603 AromaticContact CG-CE1 3.8Å; Y599-F603 HydrophobicContact CG-CE1 3.8Å; P600-F603 WeakPolarHBondContact O-CB 3.23Å; P600-F603 PolarHBondContact O-N 3.19Å; D601-F603 VanDerWaalsContact C-N 3.26Å; D601-F603 PolarHBondContact O-N 2.61Å; F603-I605 PolarHBondContact O-N 2.98Å; F603-K606 PolarHBondContact O-N 2.92Å; F603-K606 VanDerWaalsContact O-N 3.15Å; F603-L607 HydrophobicContact CD1-CD1 3.86Å; F603-L607 HydrophobicContact CD1-CG 4.3Å; F603-L607 HydrophobicContact CE1-CD1 3.42Å; F603-L607 VanDerWaalsContact CE1-CD1 3.42Å; F603-L607 HydrophobicContact CE1-CG 4.08Å; F603-L607 HydrophobicContact CZ-CD1 3.9Å; F603-L607 HydrophobicContact CZ-CD2 4.27Å; F603-L607 HydrophobicContact CZ-CG 4.23Å; F603-L607 WeakPolarHBondContact O-CG 3.32Å; F603-L607 PolarHBondContact O-N 2.96Å
604	L	96.1	Very high	94.7	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-34.1	174.4	-64.4	179.4	0	0	0	112	F590 W593 E594 Y599 P600 D601 Q608	F590-L604 HydrophobicContact CD1-CD2 4.46Å; W593-L604 HydrophobicContact CB-CD1 4.48Å; W593-L604 HydrophobicContact CB-CD2 4.15Å; W593-L604 HydrophobicContact CE3-CD2 4.14Å; E594-L604 HydrophobicContact CB-CD1 4.19Å; Y599-L604 HydrophobicContact CD2-CD2 4.23Å; P600-L604 PolarHBondContact O-N 2.86Å; P600-L604 VanDerWaalsContact O-N 3.16Å; D601-L604 PolarHBondContact O-N 3.41Å; L604-Q608 WeakPolarHBondContact O-CB 3.33Å; L604-Q608 VanDerWaalsContact O-CG 3.31Å; L604-Q608 WeakPolarHBondContact O-CG 3.46Å; L604-Q608 PolarHBondContact O-N 2.85Å; L604-Q608 PolarHBondContact O-NE2 2.89Å
605	I	95.2	Very high	94.1	Very high	86 Å²	86	55.2 Å²	55.2	44%	0.441	31%	0.306	S	S	.	.	H	α-helix	trans	-70.4	-44.3	173.8	-67.8	163.1	0	0	0	111.3	D601 F603 L607 Q608 N609	D601-I605 WeakPolarHBondContact O-CB 3.3Å; D601-I605 WeakPolarHBondContact O-CD1 3.46Å; D601-I605 VanDerWaalsContact O-CG1 3.23Å; D601-I605 WeakPolarHBondContact O-CG1 3.48Å; D601-I605 PolarHBondContact O-N 3.22Å; F603-I605 PolarHBondContact O-N 2.98Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 2.85Å; I605-Q608 PolarHBondContact O-N 3.08Å; I605-N609 WeakPolarHBondContact O-CB 3.36Å; I605-N609 VanDerWaalsContact O-CG 3.3Å; I605-N609 PolarHBondContact O-N 2.86Å; I605-N609 PolarHBondContact O-ND2 3.03Å
606	K	95.6	Very high	93	Very high	68 Å²	68	53.6 Å²	53.6	30%	0.296	30%	0.297	S	S	.	.	H	α-helix	trans	-57.6	-43.8	173.3	-178.4	166.1	175.5	168.1	0	110.9	P602 F603 N609 I610 E620	P602-K606 PolarHBondContact O-N 3.12Å; F603-K606 PolarHBondContact O-N 2.92Å; F603-K606 VanDerWaalsContact O-N 3.15Å; K606-N609 PolarHBondContact O-N 2.74Å; K606-I610 HydrophobicContact CG-CD1 3.91Å; K606-I610 WeakPolarHBondContact O-CD1 3.48Å; K606-I610 VanDerWaalsContact O-CG1 3.29Å; K606-I610 WeakPolarHBondContact O-CG1 3.34Å; K606-I610 PolarHBondContact O-N 3.26Å; K606-E620 IonicContact NZ-OE1 3.16Å; K606-E620 PolarHBondContact NZ-OE1 3.49Å; K606-E620 IonicContact NZ-OE2 2.78Å; K606-E620 PolarHBondContact NZ-OE2 3.46Å
607	L	96.3	Very high	91.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-39.7	177.5	-65.3	-175.5	0	0	0	113.4	L559 F563 F590 F603 I605 I610 F611	L559-L607 HydrophobicContact CB-CD1 3.83Å; L559-L607 HydrophobicContact CB-CD2 4.15Å; L559-L607 HydrophobicContact CD1-CD1 4.17Å; F563-L607 HydrophobicContact CD2-CB 3.91Å; F563-L607 HydrophobicContact CD2-CD1 4.05Å; F563-L607 HydrophobicContact CD2-CD2 4.08Å; F563-L607 HydrophobicContact CD2-CG 4.24Å; F563-L607 HydrophobicContact CE2-CB 4.24Å; F563-L607 HydrophobicContact CE2-CD1 3.95Å; F590-L607 HydrophobicContact CE1-CB 3.56Å; F590-L607 HydrophobicContact CE1-CD1 4.37Å; F590-L607 HydrophobicContact CZ-CB 3.81Å; F603-L607 HydrophobicContact CD1-CD1 3.86Å; F603-L607 HydrophobicContact CD1-CG 4.3Å; F603-L607 HydrophobicContact CE1-CD1 3.42Å; F603-L607 VanDerWaalsContact CE1-CD1 3.42Å; F603-L607 HydrophobicContact CE1-CG 4.08Å; F603-L607 HydrophobicContact CZ-CD1 3.9Å; F603-L607 HydrophobicContact CZ-CD2 4.27Å; F603-L607 HydrophobicContact CZ-CG 4.23Å; F603-L607 WeakPolarHBondContact O-CG 3.32Å; F603-L607 PolarHBondContact O-N 2.96Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 2.85Å; L607-I610 HydrophobicContact CD2-CD1 4.42Å; L607-I610 PolarHBondContact O-N 3.08Å; L607-F611 PolarHBondContact O-N 2.93Å
608	Q	95.7	Very high	89.8	Confident	33 Å²	33	54 Å²	54	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-44	172.8	-78.8	173.8	69.7	0	0	111.6	M587 F590 L604 I605 I610 F611 L612	M587-Q608 HydrophobicContact CE-CG 4.14Å; M587-Q608 VanDerWaalsContact CE-OE1 3.3Å; F590-Q608 HydrophobicContact CB-CG 4.15Å; F590-Q608 HydrophobicContact CD1-CG 3.81Å; F590-Q608 HydrophobicContact CD2-CG 3.51Å; F590-Q608 HydrophobicContact CE1-CG 4Å; F590-Q608 HydrophobicContact CE2-CB 4.47Å; F590-Q608 HydrophobicContact CE2-CG 3.7Å; F590-Q608 HydrophobicContact CG-CG 3.56Å; F590-Q608 HydrophobicContact CZ-CG 3.93Å; L604-Q608 WeakPolarHBondContact O-CB 3.33Å; L604-Q608 VanDerWaalsContact O-CG 3.31Å; L604-Q608 WeakPolarHBondContact O-CG 3.46Å; L604-Q608 PolarHBondContact O-N 2.85Å; L604-Q608 PolarHBondContact O-NE2 2.89Å; I605-Q608 PolarHBondContact O-N 3.08Å; Q608-I610 PolarHBondContact O-N 2.79Å; Q608-F611 PolarHBondContact O-N 3.44Å; Q608-L612 WeakPolarHBondContact O-CB 3.45Å; Q608-L612 WeakPolarHBondContact O-CG 3.27Å; Q608-L612 PolarHBondContact O-N 3.22Å
609	N	95.7	Very high	87.5	Confident	52 Å²	52	58 Å²	58	28%	0.278	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-37.9	178.7	-70.4	-16.4	0	0	0	112.2	I605 K606 G613 L614 V615	I605-N609 WeakPolarHBondContact O-CB 3.36Å; I605-N609 VanDerWaalsContact O-CG 3.3Å; I605-N609 PolarHBondContact O-N 2.86Å; I605-N609 PolarHBondContact O-ND2 3.03Å; K606-N609 PolarHBondContact O-N 2.74Å; N609-G613 PolarHBondContact O-N 2.76Å; N609-L614 HydrophobicContact CB-CB 4.24Å; N609-L614 PolarHBondContact O-N 2.83Å; N609-V615 HydrophobicContact CB-CB 4.48Å; N609-V615 HydrophobicContact CB-CG2 3.88Å; N609-V615 PolarHBondContact O-N 3.01Å
610	I	95.8	Very high	85.1	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-48.5	170.4	-69.5	161.9	0	0	0	110.6	F563 A564 K606 L607 Q608 L612 G613 V615 L617	F563-I610 HydrophobicContact CB-CG2 4.1Å; A564-I610 HydrophobicContact CB-CG2 4.03Å; K606-I610 HydrophobicContact CG-CD1 3.91Å; K606-I610 WeakPolarHBondContact O-CD1 3.48Å; K606-I610 VanDerWaalsContact O-CG1 3.29Å; K606-I610 WeakPolarHBondContact O-CG1 3.34Å; K606-I610 PolarHBondContact O-N 3.26Å; L607-I610 HydrophobicContact CD2-CD1 4.42Å; L607-I610 PolarHBondContact O-N 3.08Å; Q608-I610 PolarHBondContact O-N 2.79Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.37Å; I610-G613 PolarHBondContact O-N 3.32Å; I610-V615 HydrophobicContact CG1-CB 4.17Å; I610-V615 HydrophobicContact CG1-CG1 4.13Å; I610-L617 HydrophobicContact CD1-CD1 4.09Å; I610-L617 HydrophobicContact CG1-CD1 4.17Å; I610-L617 HydrophobicContact CG2-CD1 3.81Å
611	F	96.3	Very high	82.4	Confident	1 Å²	1	68.6 Å²	68.6	0%	0.004	37%	0.374	C	S	.	.	H	α-helix	trans	-62.2	-36.3	179.5	174.4	-115.8	0	0	0	113.1	F563 L566 N567 F582 K583 V586 M587 F590 L607 Q608 G613	F563-F611 HydrophobicContact CB-CB 4.16Å; F563-F611 HydrophobicContact CD1-CB 3.91Å; F563-F611 HydrophobicContact CD1-CD2 4.32Å; F563-F611 HydrophobicContact CD1-CG 4.24Å; F563-F611 HydrophobicContact CG-CB 4.34Å; L566-F611 HydrophobicContact CB-CD2 3.88Å; L566-F611 HydrophobicContact CB-CE2 3.99Å; N567-F611 WeakPolarHBondContact CB-O 3.13Å; N567-F611 PolarHBondContact ND2-O 3.15Å; F582-F611 HydrophobicContact CE1-CE2 4.23Å; F582-F611 HydrophobicContact CE1-CZ 4.48Å; K583-F611 HydrophobicContact CB-CE1 4.45Å; K583-F611 HydrophobicContact CB-CZ 4.45Å; K583-F611 HydrophobicContact CG-CE1 4.17Å; V586-F611 HydrophobicContact CB-CD1 4.32Å; V586-F611 HydrophobicContact CB-CE1 3.71Å; V586-F611 HydrophobicContact CB-CE2 4.22Å; V586-F611 HydrophobicContact CB-CZ 3.67Å; V586-F611 HydrophobicContact CG1-CD1 3.66Å; V586-F611 HydrophobicContact CG1-CD2 3.96Å; V586-F611 HydrophobicContact CG1-CE1 3.57Å; V586-F611 HydrophobicContact CG1-CE2 3.9Å; V586-F611 HydrophobicContact CG1-CG 3.86Å; V586-F611 HydrophobicContact CG1-CZ 3.71Å; V586-F611 HydrophobicContact CG2-CE1 4.37Å; V586-F611 HydrophobicContact CG2-CE2 4.07Å; V586-F611 HydrophobicContact CG2-CZ 3.81Å; M587-F611 HydrophobicContact SD-CD1 4.15Å; M587-F611 HydrophobicContact SD-CE1 4.35Å; F590-F611 HydrophobicContact CE2-CB 4.24Å; F590-F611 HydrophobicContact CE2-CD1 4.43Å; L607-F611 PolarHBondContact O-N 2.93Å; Q608-F611 PolarHBondContact O-N 3.44Å; F611-G613 VanDerWaalsContact C-N 3.28Å
612	L	94.9	Very high	79.7	Confident	67 Å²	67	72.4 Å²	72.4	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-76.4	-15.4	174.9	-66.3	173.9	0	0	0	112.9	Q608 I610 L614	Q608-L612 WeakPolarHBondContact O-CB 3.45Å; Q608-L612 WeakPolarHBondContact O-CG 3.27Å; Q608-L612 PolarHBondContact O-N 3.22Å; I610-L612 VanDerWaalsContact C-N 3.31Å; I610-L612 PolarHBondContact O-N 3.37Å; L612-L614 HydrophobicContact CB-CD1 4.16Å; L612-L614 HydrophobicContact CB-CG 4.01Å; L612-L614 HydrophobicContact CD1-CD1 4.19Å
613	G	91.4	Very high	76.7	Confident	26 Å²	26	73.5 Å²	73.5	27%	0.268	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	23.3	-177.4	0	0	0	0	0	113.8	N567 N609 I610 F611	N567-G613 PolarHBondContact ND2-N 3.35Å; N609-G613 PolarHBondContact O-N 2.76Å; I610-G613 PolarHBondContact O-N 3.32Å; F611-G613 VanDerWaalsContact C-N 3.28Å
614	L	88.9	Confident	73.8	Confident	128 Å²	128	76.7 Å²	76.7	67%	0.67	42%	0.419	S	S	*	.	S	Bend	trans	-83	-16.6	174.2	-58.9	175.7	0	0	0	112.3	N609 L612	N609-L614 HydrophobicContact CB-CB 4.24Å; N609-L614 PolarHBondContact O-N 2.83Å; L612-L614 HydrophobicContact CB-CD1 4.16Å; L612-L614 HydrophobicContact CB-CG 4.01Å; L612-L614 HydrophobicContact CD1-CD1 4.19Å
615	V	82.6	Confident	70.8	Confident	48 Å²	48	84.2 Å²	84.2	29%	0.291	46%	0.458	S	S	.	.	S	Bend	trans	-129	126.8	175.4	171.4	0	0	0	0	108.6	N609 I610	N609-V615 HydrophobicContact CB-CB 4.48Å; N609-V615 HydrophobicContact CB-CG2 3.88Å; N609-V615 PolarHBondContact O-N 3.01Å; I610-V615 HydrophobicContact CG1-CB 4.17Å; I610-V615 HydrophobicContact CG1-CG1 4.13Å
616	N	72.6	Confident	67.7	Low	100 Å²	100	86.6 Å²	86.6	54%	0.535	48%	0.476	S	S	.	.			trans	-97.9	127.4	173.1	-69.6	-39.3	0	0	0	109.6	S618 S619	N616-S618 PolarHBondContact O-N 2.61Å; N616-S619 PolarHBondContact O-OG 3.36Å
617	L	68.1	Low	64.9	Low	63 Å²	63	89.2 Å²	89.2	33%	0.33	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-69.9	-13.4	172.8	-76.4	115.3	0	0	0	113.5	A564 I610 S619	A564-L617 HydrophobicContact CB-CD1 3.82Å; I610-L617 HydrophobicContact CD1-CD1 4.09Å; I610-L617 HydrophobicContact CG1-CD1 4.17Å; I610-L617 HydrophobicContact CG2-CD1 3.81Å; L617-S619 PolarHBondContact O-N 2.66Å
618	S	51.7	Low	61.8	Low	113 Å²	113	97.6 Å²	97.6	79%	0.79	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.6	-178.1	-49.7	0	0	0	0	114.4	N616	N616-S618 PolarHBondContact O-N 2.61Å
619	S	43	Very low	59.3	Low	90 Å²	90	100.6 Å²	100.6	63%	0.629	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-105.2	-0.5	-172.4	45.6	0	0	0	0	115	N616 L617 K621	N616-S619 PolarHBondContact O-OG 3.36Å; L617-S619 PolarHBondContact O-N 2.66Å; S619-K621 VanDerWaalsContact C-N 3.32Å
620	E	44.9	Very low	56.1	Low	119 Å²	119	105.4 Å²	105.4	56%	0.556	58%	0.58	S	S	*	*	S	Bend	trans	-89.5	12.5	177	-67.2	-171.8	150.9	0	0	113.1	K606	K606-E620 IonicContact NZ-OE1 3.16Å; K606-E620 PolarHBondContact NZ-OE1 3.49Å; K606-E620 IonicContact NZ-OE2 2.78Å; K606-E620 PolarHBondContact NZ-OE2 3.46Å
621	K	39.4	Very low	53.4	Low	193 Å²	193	111 Å²	111	84%	0.839	62%	0.616	S	S	*	*	S	Bend	trans	-115.2	-2.4	-171.8	-142	-178.1	-178.5	-175.6	0	116.9	S619	S619-K621 VanDerWaalsContact C-N 3.32Å
622	E	37.5	Very low	50.3	Low	182 Å²	182	114.8 Å²	114.8	85%	0.85	65%	0.648	S	S	*	*			trans	-129	98.4	170.5	-73.1	-173.5	168.9	0	0	110.1
623	V	32.3	Very low	47.2	Very low	123 Å²	123	120.9 Å²	120.9	75%	0.745	68%	0.675	S	S	*	*			trans	-138.4	100.1	163.9	-174.1	0	0	0	0	107.7
624	P	36.1	Very low	44.4	Very low	111 Å²	111	126.7 Å²	126.7	72%	0.721	70%	0.7	S	S	*	*			trans	-66.6	133.8	166.4	-16.4	31.2	0	0	0	109.6	V626	P624-V626 PolarHBondContact O-N 3.06Å
625	L	32.7	Very low	41.8	Very low	162 Å²	162	129 Å²	129	85%	0.848	71%	0.712	S	S	*	*			trans	-73.7	109.1	170.2	-83.4	164.5	0	0	0	109.3
626	V	31.1	Very low	39.3	Very low	136 Å²	136	134.9 Å²	134.9	82%	0.824	74%	0.741	S	S	*	*			trans	-88.3	127.4	166.9	179.9	0	0	0	0	108.1	P624	P624-V626 PolarHBondContact O-N 3.06Å
627	V	35.4	Very low	37.3	Very low	123 Å²	123	133.2 Å²	133.2	75%	0.745	75%	0.748	S	S	*	*			trans	-139.1	121.7	-179.6	177	0	0	0	0	108.4
628	E	30.8	Very low	35.7	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	77%	0.768	S	S	*	*			trans	-159.3	157.3	170.5	-89.7	-156.2	-167.7	0	0	109.7
629	P	43	Very low	35.5	Very low	95 Å²	95	134.5 Å²	134.5	62%	0.617	77%	0.765	S	S	*	*			cis	-141.6	-178.4	-31.6	39.5	-22.6	0	0	0	114.9
630	E	29.3	Very low	34.9	Very low	154 Å²	154	138.1 Å²	138.1	72%	0.72	78%	0.777	S	S	*	*			trans	73.9	152.2	159.3	-63.2	-41.5	95.9	0	0	122.5	A632	E630-A632 PolarHBondContact OE2-N 2.97Å
631	P	40.2	Very low	34.2	Very low	121 Å²	121	136 Å²	136	79%	0.786	79%	0.787	S	S	*	*			cis	-119.7	154.8	2.9	38.4	-25	0	0	0	117.9
632	A	31.4	Very low	33.9	Very low	81 Å²	81	134.6 Å²	134.6	67%	0.669	78%	0.783	S	S	*	*			trans	-11.3	144.1	162.8	0	0	0	0	0	122.7	E630	E630-A632 PolarHBondContact OE2-N 2.97Å
633	E	29.8	Very low	33.6	Very low	195 Å²	195	134.4 Å²	134.4	91%	0.911	78%	0.78	S	S	*	*				-148.6	152.9	123.9	-124.1	173.6	-141.4	0	0	110
634	D	32.4	Very low	33.7	Very low	148 Å²	148	134.6 Å²	134.6	79%	0.791	78%	0.781	S	S	*	*			trans	-81.6	154.9	-162.2	-65.6	-71.1	0	0	0	116.3
635	L	34.4	Very low	33.5	Very low	177 Å²	177	137.2 Å²	137.2	93%	0.927	79%	0.789	S	S	*	*				150.7	107.2	124.5	-79.4	165.2	0	0	0	113.1
636	D	28.8	Very low	33.5	Very low	170 Å²	170	132.9 Å²	132.9	91%	0.909	78%	0.783	S	S	*	*			trans	-127.5	147.4	153.6	-173.6	24.9	0	0	0	110.1
637	G	30.4	Very low	33.8	Very low	66 Å²	66	131 Å²	131	68%	0.68	78%	0.782	S	S	*	*			trans	-125.7	86.6	-168.1	0	0	0	0	0	113.4
638	A	35.1	Very low	34.3	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	78%	0.78	S	S	*	*			trans	-60.2	159.7	154.7	0	0	0	0	0	110.1
639	P	46.7	Very low	34.5	Very low	112 Å²	112	129 Å²	129	73%	0.727	78%	0.778	S	S	*	*			cis	-152.5	-169.2	33.4	39.6	-15.7	0	0	0	118.4
640	L	30.1	Very low	34	Very low	167 Å²	167	131.6 Å²	131.6	87%	0.874	78%	0.782	S	S	*	*			trans	102	106.4	150.1	-71.9	163.3	0	0	0	121.6
641	G	30.6	Very low	34.2	Very low	75 Å²	75	131 Å²	131	77%	0.773	78%	0.783	S	S	*	*			trans	92.3	151.3	132.8	0	0	0	0	0	118.6
642	E	33.1	Very low	34.2	Very low	162 Å²	162	131.3 Å²	131.3	76%	0.757	78%	0.783	S	S	*	*			cis	-166.7	-172.1	-19.5	-148.8	175	-175.9	0	0	108.6
643	F	32	Very low	34.3	Very low	179 Å²	179	135.2 Å²	135.2	79%	0.785	79%	0.793	S	S	*	*			trans	69.2	106.2	176.6	-53.7	-81.9	0	0	0	115.7
644	V	33.8	Very low	34.6	Very low	127 Å²	127	129 Å²	129	77%	0.77	78%	0.781	S	S	*	*			cis	66	102.9	48.2	-168.1	0	0	0	0	113.5
645	D	32.4	Very low	34.7	Very low	166 Å²	166	128.8 Å²	128.8	89%	0.888	78%	0.784	S	S	*	*				170.8	166.8	100.9	-157.3	1.5	0	0	0	112.1
646	G	32	Very low	35.6	Very low	70 Å²	70	125.1 Å²	125.1	72%	0.722	77%	0.771	S	S	*	*			trans	113	95.9	157.2	0	0	0	0	0	118.5
647	A	37.6	Very low	36	Very low	98 Å²	98	123.8 Å²	123.8	81%	0.81	76%	0.763	S	S	*	*			trans	-111.8	-156.9	165.4	0	0	0	0	0	109.4
648	P	45.9	Very low	36	Very low	106 Å²	106	127.5 Å²	127.5	69%	0.688	77%	0.767	S	S	*	*			cis	-140.2	176.3	-13.8	41.7	-23.7	0	0	0	116.5
649	L	35.2	Very low	35.9	Very low	149 Å²	149	126.6 Å²	126.6	78%	0.78	76%	0.76	S	S	*	*			trans	63.3	171.1	149	-71	161.1	0	0	0	118.8
650	E	33.3	Very low	35.2	Very low	151 Å²	151	127.2 Å²	127.2	71%	0.706	76%	0.761	S	S	*	*			cis	-149.7	-170.3	13.9	-150.9	141	-131.1	0	0	113.3
651	D	33.8	Very low	36	Very low	140 Å²	140	124.7 Å²	124.7	75%	0.749	76%	0.755	S	S	*	*			trans	65.7	124.2	172.6	-56.4	-26.8	0	0	0	118.5
652	V	39.1	Very low	36.2	Very low	128 Å²	128	127.9 Å²	127.9	78%	0.776	75%	0.752	S	S	*	*			cis	81.3	103.2	26.8	-172	0	0	0	0	115.1
653	D	34.4	Very low	36.3	Very low	164 Å²	164	128 Å²	128	88%	0.877	76%	0.758	S	S	*	*				-179.7	168.2	110.6	-140.7	-22	0	0	0	113.2
654	G	34.8	Very low	36.4	Very low	65 Å²	65	122.4 Å²	122.4	67%	0.67	75%	0.751	S	S	*	*			trans	96.8	105.3	148.2	0	0	0	0	0	121.4
655	V	36	Very low	36.6	Very low	142 Å²	142	121 Å²	121	86%	0.861	75%	0.753	S	S	*	*			trans	-127.7	-176.4	162	-123.9	0	0	0	0	107.7
656	P	52.6	Low	37.3	Very low	101 Å²	101	118.4 Å²	118.4	66%	0.656	75%	0.745	S	S	*	*			cis	-136.9	-144.6	-12.7	28.5	-1	0	0	0	112.8
657	I	36.7	Very low	37.5	Very low	141 Å²	141	122.5 Å²	122.5	72%	0.723	75%	0.749	S	S	*	*			trans	81.6	132.3	156.9	-67	160.4	0	0	0	116.3
658	D	31.9	Very low	37.5	Very low	144 Å²	144	125.7 Å²	125.7	77%	0.77	75%	0.752	S	S	*	*			cis	-165.7	173.1	-9.8	-103.4	-3.9	0	0	0	106.7
659	A	31.9	Very low	37	Very low	72 Å²	72	123.7 Å²	123.7	60%	0.595	75%	0.751	S	S	*	*			cis	169.7	130.8	-27.5	0	0	0	0	0	108.9
660	V	32.1	Very low	36.9	Very low	125 Å²	125	121.2 Å²	121.2	76%	0.758	75%	0.752	S	S	*	*			trans	65.9	162.1	146.6	177	0	0	0	0	117.7	I662	V660-I662 HydrophobicContact CG1-CD1 4.08Å
661	P	46.7	Very low	37.8	Very low	113 Å²	113	119.1 Å²	119.1	73%	0.734	75%	0.752	S	S	*	*			cis	-107.8	163.7	-6.3	10.2	15.6	0	0	0	114.8
662	I	35.2	Very low	37.8	Very low	142 Å²	142	119 Å²	119	73%	0.728	75%	0.75	S	S	*	*				79.4	106.1	57.3	-54.1	165.9	0	0	0	115.5	V660	V660-I662 HydrophobicContact CG1-CD1 4.08Å
663	D	35.8	Very low	37.5	Very low	165 Å²	165	118.7 Å²	118.7	88%	0.882	74%	0.744	S	S	*	*			trans	169.1	164.5	130.3	-105.9	-19.5	0	0	0	110.9
664	G	33.6	Very low	37.5	Very low	61 Å²	61	117.6 Å²	117.6	63%	0.629	74%	0.739	S	S	*	*			cis	179.5	21.5	2.7	0	0	0	0	0	118.3
665	A	37.5	Very low	37.7	Very low	99 Å²	99	122.1 Å²	122.1	82%	0.818	75%	0.747	S	S	*	*			trans	62.8	-171.9	175.7	0	0	0	0	0	115.5
666	P	46.8	Very low	37.7	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	74%	0.74	S	S	*	*			cis	-135.2	167.9	-9.8	42.8	-26.3	0	0	0	117.5
667	I	36.2	Very low	37.2	Very low	156 Å²	156	120.4 Å²	120.4	80%	0.8	74%	0.743	S	S	*	*			trans	17.7	120	140.5	-53.2	166	0	0	0	120.2
668	D	37.5	Very low	37.4	Very low	164 Å²	164	118.7 Å²	118.7	88%	0.877	74%	0.74	S	S	*	*				-171.5	170.3	112.2	-132.5	-11.5	0	0	0	107.9
669	G	35.1	Very low	38.1	Very low	65 Å²	65	117 Å²	117	67%	0.67	74%	0.737	S	S	*	*			cis	176.8	152.1	-1.7	0	0	0	0	0	108.1
670	A	33.9	Very low	38.4	Very low	97 Å²	97	120.2 Å²	120.2	80%	0.802	74%	0.742	S	S	*	*			trans	-130.6	-169.9	-176.8	0	0	0	0	0	110.3
671	P	51.7	Low	38.5	Very low	106 Å²	106	123.2 Å²	123.2	69%	0.688	75%	0.745	S	S	*	*			cis	-131.9	-152.8	-20.9	21.6	5.5	0	0	0	111.7
672	L	33.9	Very low	38	Very low	138 Å²	138	122.4 Å²	122.4	72%	0.723	74%	0.742	S	S	*	*			trans	91.5	114.5	149.8	-52.1	178	0	0	0	122.1
673	D	33.3	Very low	38	Very low	122 Å²	122	121.4 Å²	121.4	65%	0.652	74%	0.737	S	S	*	*				68	120.6	113.2	-53.7	3.8	0	0	0	124.1
674	D	34.6	Very low	38.1	Very low	141 Å²	141	121.1 Å²	121.1	75%	0.754	74%	0.735	S	S	*	*				76.3	170.1	124	-66.2	1.2	0	0	0	123.9
675	L	38.1	Very low	38.2	Very low	160 Å²	160	124.5 Å²	124.5	84%	0.838	74%	0.739	S	S	*	*			trans	78.9	134.4	164.4	-62.5	173.1	0	0	0	117.4
676	D	37.3	Very low	38.1	Very low	136 Å²	136	127 Å²	127	73%	0.727	74%	0.739	S	S	*	*			cis	-163.1	-178.4	-8.5	-165.1	-1.2	0	0	0	108.8
677	G	41.3	Very low	37.7	Very low	70 Å²	70	128.3 Å²	128.3	72%	0.722	74%	0.738	S	S	*	*			trans	159.2	27.2	160.9	0	0	0	0	0	121.3
678	V	42.1	Very low	37.6	Very low	106 Å²	106	128.1 Å²	128.1	64%	0.642	74%	0.739	S	S	*	*			trans	-41.7	169.8	165.3	-92.2	0	0	0	0	116.1	I680	V678-I680 HydrophobicContact CG1-CG1 4.36Å
679	P	46.2	Very low	37.4	Very low	109 Å²	109	122.9 Å²	122.9	71%	0.708	72%	0.723	S	S	*	*			cis	-145.9	144.1	27.5	32.2	-7.1	0	0	0	121.8
680	I	37.3	Very low	37.6	Very low	139 Å²	139	126.6 Å²	126.6	71%	0.713	73%	0.733	S	S	*	*				44.4	122.4	117	-44.1	161.4	0	0	0	120.1	V678	V678-I680 HydrophobicContact CG1-CG1 4.36Å
681	K	34.2	Very low	38.1	Very low	188 Å²	188	126.8 Å²	126.8	82%	0.817	73%	0.726	S	S	*	*				177.7	117.1	121.2	-98.7	-176.4	-179.4	-179.6	0	111.3
682	S	36.3	Very low	37	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	73%	0.733	S	S	*	*				85.8	137.9	74	76.8	0	0	0	0	112.2
683	I	36.2	Very low	36.9	Very low	122 Å²	122	128.2 Å²	128.2	63%	0.626	73%	0.727	S	S	*	*			cis	-167.8	164.3	-2.5	-179	156.3	0	0	0	107.4	D685	I683-D685 WeakPolarHBondContact CG1-OD2 3.18Å
684	D	36.3	Very low	36.7	Very low	158 Å²	158	130.1 Å²	130.1	85%	0.845	73%	0.732	S	S	*	*			trans	179.5	144.9	143	-87.2	-20.5	0	0	0	107.2
685	D	36.5	Very low	36.4	Very low	132 Å²	132	128.9 Å²	128.9	71%	0.706	74%	0.735	S	S	*	*			trans	-115.1	-163	-159.2	-50.2	-75.8	0	0	0	112.2	I683	I683-D685 WeakPolarHBondContact CG1-OD2 3.18Å
686	D	36.1	Very low	35.9	Very low	153 Å²	153	126.4 Å²	126.4	82%	0.818	74%	0.737	S	S	*	*			cis	-159.9	-175.1	18.8	-159.8	-0.2	0	0	0	112
687	I	37.3	Very low	35.4	Very low	138 Å²	138	123.7 Å²	123.7	71%	0.708	74%	0.742	S	S	*	*			trans	-94.6	173.2	-177.1	-151.7	156.8	0	0	0	111.3
688	D	34	Very low	34.8	Very low	152 Å²	152	124.8 Å²	124.8	81%	0.813	74%	0.744	S	S	*	*			cis	-147.3	-159.9	16.1	-156.3	-20	0	0	0	110.8
689	G	34.3	Very low	34	Very low	53 Å²	53	125.9 Å²	125.9	55%	0.546	75%	0.751	S	S	.	*			trans	-151.7	-172.6	-177.2	0	0	0	0	0	120
690	V	39.1	Very low	33.1	Very low	144 Å²	144	130.1 Å²	130.1	87%	0.873	76%	0.759	S	S	*	*			trans	73.6	149.2	166.2	-175.2	0	0	0	0	115.8
691	P	43.6	Very low	32.7	Very low	101 Å²	101	132.1 Å²	132.1	66%	0.656	76%	0.762	S	S	*	*			cis	-128	179.1	-15.3	36.1	-18.5	0	0	0	116.4
692	L	29.9	Very low	32.6	Very low	159 Å²	159	129.4 Å²	129.4	83%	0.832	76%	0.761	S	S	*	*			trans	63.7	156.1	153.6	-100.2	73.6	0	0	0	118.8
693	D	30.3	Very low	32.4	Very low	115 Å²	115	128.9 Å²	128.9	62%	0.615	76%	0.762	S	S	*	*			cis	-155.4	165.4	-13.8	-162.2	9.7	0	0	0	111.2
694	Q	30.3	Very low	32	Very low	161 Å²	161	129.3 Å²	129.3	75%	0.752	77%	0.773	S	S	*	*			trans	54	130.5	154.6	-84.6	173.6	75.7	0	0	123.9
695	S	28.5	Very low	31.8	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	77%	0.77	S	S	*	*			trans	102.6	123.1	140.9	79.7	0	0	0	0	122.2
696	A	27.7	Very low	31.6	Very low	108 Å²	108	129.2 Å²	129.2	89%	0.893	77%	0.773	S	S	*	*			trans	47.8	113.9	150.7	0	0	0	0	0	122.4
697	G	26.7	Very low	31.5	Very low	80 Å²	80	133.2 Å²	133.2	83%	0.825	78%	0.777	S	S	*	*			trans	179	101.2	163.3	0	0	0	0	0	117.2
698	A	28.3	Very low	31.5	Very low	92 Å²	92	135.2 Å²	135.2	76%	0.76	78%	0.783	S	S	*	*			trans	10.2	125.9	161.2	0	0	0	0	0	123
699	T	25.4	Very low	31.6	Very low	129 Å²	129	132.6 Å²	132.6	79%	0.791	78%	0.782	S	S	*	*			trans	20.8	133.7	136.7	58.1	0	0	0	0	120.3
700	F	27.1	Very low	31.7	Very low	199 Å²	199	135.8 Å²	135.8	87%	0.873	79%	0.791	S	S	*	*				-158.1	160.3	73.5	-154	-106.7	0	0	0	113.6
701	K	28.4	Very low	31.6	Very low	181 Å²	181	134.5 Å²	134.5	79%	0.787	78%	0.779	S	S	*	*			trans	-120.7	159.6	176.7	-64.6	-179.9	179.8	-179.5	0	109.7
702	V	32.6	Very low	31.5	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	78%	0.781	S	S	*	*				170.7	124.4	84.5	159.6	0	0	0	0	103.8
703	A	32.3	Very low	32.3	Very low	83 Å²	83	132.6 Å²	132.6	69%	0.686	77%	0.769	S	S	*	*				83.6	132.1	54.1	0	0	0	0	0	115.1
704	P	27.9	Very low	32.8	Very low	132 Å²	132	133.2 Å²	133.2	86%	0.857	77%	0.769	S	S	*	*			trans	-88.4	-176.1	173	36.1	-34.3	0	0	0	113.4
705	S	31.1	Very low	33.4	Very low	111 Å²	111	131.2 Å²	131.2	78%	0.776	76%	0.762	S	S	*	*			trans	-74.3	157.7	-156.7	-160.8	0	0	0	0	117.2
706	K	32	Very low	34.1	Very low	177 Å²	177	132.4 Å²	132.4	77%	0.77	76%	0.755	S	S	*	*			trans	-143.6	109	-178.1	-178.2	-169.7	-178.7	-169.5	0	109.8
707	W	35.5	Very low	34.8	Very low	237 Å²	237	131.2 Å²	131.2	90%	0.898	75%	0.745	S	S	*	*			trans	-145.8	34.2	-179.4	-86	108.4	0	0	0	114.3
708	E	36.2	Very low	35.2	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	74%	0.74	S	S	*	*			trans	-127.8	159.2	159.3	-86	-177.1	134.8	0	0	109.5
709	A	35.6	Very low	35.5	Very low	96 Å²	96	134 Å²	134	79%	0.793	74%	0.735	S	S	*	*			trans	64.8	97.1	-168.5	0	0	0	0	0	116
710	V	37.8	Very low	35.8	Very low	121 Å²	121	133 Å²	133	73%	0.733	73%	0.728	S	S	*	*			trans	-133.4	138.3	146.3	177.2	0	0	0	0	106.4
711	D	35.8	Very low	36	Very low	116 Å²	116	129.7 Å²	129.7	62%	0.62	73%	0.725	S	S	*	*			trans	-89.3	146.5	-172.6	-157.6	-28.5	0	0	0	111.9	A713	D711-A713 VanDerWaalsContact C-N 3.29Å; D711-A713 PolarHBondContact O-N 2.77Å
712	E	43.1	Very low	35.9	Very low	150 Å²	150	127.4 Å²	127.4	70%	0.701	73%	0.726	S	S	*	*	H	α-helix	trans	-77.5	-15.7	-172.1	-163.3	164.9	175.4	0	0	112.7
713	A	45.5	Very low	35.9	Very low	71 Å²	71	126.7 Å²	126.7	59%	0.587	73%	0.726	S	S	*	*	H	α-helix	trans	-71.9	-38	176.9	0	0	0	0	0	113.9	D711 L715	D711-A713 VanDerWaalsContact C-N 3.29Å; D711-A713 PolarHBondContact O-N 2.77Å; A713-L715 VanDerWaalsContact C-N 3.33Å; A713-L715 PolarHBondContact O-N 2.87Å
714	E	42.1	Very low	35.7	Very low	128 Å²	128	129 Å²	129	60%	0.598	72%	0.721	S	S	*	*	H	α-helix	trans	-70.4	-30.8	-179.9	-71.3	-162.7	120.6	0	0	112.4	Q716 A717	E714-Q716 PolarHBondContact O-N 3.26Å; E714-A717 PolarHBondContact O-N 2.7Å
715	L	42.2	Very low	35.9	Very low	118 Å²	118	134.7 Å²	134.7	62%	0.618	73%	0.726	S	S	*	*	H	α-helix	trans	-64.4	-30.4	-178.3	-138.8	80.9	0	0	0	112.6	A713	A713-L715 VanDerWaalsContact C-N 3.33Å; A713-L715 PolarHBondContact O-N 2.87Å
716	Q	41.8	Very low	35.7	Very low	141 Å²	141	135.7 Å²	135.7	66%	0.659	72%	0.718	S	S	*	*	H	α-helix	trans	-80.4	-24.4	-179.2	-59.4	-173	20	0	0	112.6	E714	E714-Q716 PolarHBondContact O-N 3.26Å
717	A	42.9	Very low	35.3	Very low	83 Å²	83	133.9 Å²	133.9	69%	0.686	72%	0.715	S	S	*	*	H	α-helix	trans	-75.3	-25.1	175.2	0	0	0	0	0	113.2	E714	E714-A717 PolarHBondContact O-N 2.7Å
718	Q	36.5	Very low	34.8	Very low	151 Å²	151	131.7 Å²	131.7	71%	0.706	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-0.6	-178.7	-63	-177	15.1	0	0	114
719	A	33.6	Very low	34.4	Very low	79 Å²	79	131.3 Å²	131.3	65%	0.653	71%	0.711	S	S	*	*	S	Bend	trans	-99.2	12.3	-170.4	0	0	0	0	0	115.2
720	V	32.4	Very low	33.9	Very low	109 Å²	109	135.6 Å²	135.6	66%	0.661	71%	0.714	S	S	*	*	S	Bend	trans	-135	123.7	179.6	-167	0	0	0	0	111.4
721	T	29.7	Very low	34	Very low	129 Å²	129	134.7 Å²	134.7	79%	0.791	71%	0.711	S	S	*	*			trans	66.7	152.3	-171.2	81.7	0	0	0	0	113.7
722	T	27.4	Very low	33.5	Very low	132 Å²	132	137 Å²	137	81%	0.81	72%	0.718	S	S	*	*			cis	-122.4	151	9.7	48.1	0	0	0	0	113.3
723	S	32.8	Very low	32.7	Very low	116 Å²	116	137.9 Å²	137.9	81%	0.811	72%	0.722	S	S	*	*			trans	-89.9	165.8	155.1	-175.1	0	0	0	0	109.3
724	K	28.2	Very low	31.8	Very low	131 Å²	131	139.7 Å²	139.7	57%	0.57	73%	0.73	S	S	*	*			trans	82.6	76.8	159	-149.1	175.6	-160.5	-156.1	0	118.7	E726	K724-E726 HydrophobicContact CD-CB 4.44Å; K724-E726 WeakPolarHBondContact CD-O 3.44Å; K724-E726 WeakPolarHBondContact CE-O 3.33Å; K724-E726 WeakPolarHBondContact CE-OE2 3.46Å; K724-E726 HydrophobicContact CG-CB 3.85Å; K724-E726 PolarHBondContact NZ-O 3.47Å; K724-E726 IonicContact NZ-OE2 3.59Å; K724-E726 PolarHBondContact NZ-OE2 3.07Å; K724-E726 PolarHBondContact O-N 3.47Å; K724-E726 VanDerWaalsContact O-N 3.12Å
725	W	31.2	Very low	31.1	Very low	252 Å²	252	143 Å²	143	96%	0.955	74%	0.743	S	S	*	*			trans	-73.3	75.4	138.1	-99.2	104.2	0	0	0	109.6
726	E	26.7	Very low	30.4	Very low	132 Å²	132	147.7 Å²	147.7	62%	0.617	76%	0.758	S	S	*	*			trans	-160.5	79.7	165.4	177.6	-159.1	-97.3	0	0	108.4	K724	K724-E726 HydrophobicContact CD-CB 4.44Å; K724-E726 WeakPolarHBondContact CD-O 3.44Å; K724-E726 WeakPolarHBondContact CE-O 3.33Å; K724-E726 WeakPolarHBondContact CE-OE2 3.46Å; K724-E726 HydrophobicContact CG-CB 3.85Å; K724-E726 PolarHBondContact NZ-O 3.47Å; K724-E726 IonicContact NZ-OE2 3.59Å; K724-E726 PolarHBondContact NZ-OE2 3.07Å; K724-E726 PolarHBondContact O-N 3.47Å; K724-E726 VanDerWaalsContact O-N 3.12Å
727	I	25	Very low	29.6	Very low	140 Å²	140	144.7 Å²	144.7	72%	0.718	77%	0.765	S	S	*	*			trans	-156.1	124	145	-96.9	146.6	0	0	0	106
728	F	23.7	Very low	28.7	Very low	190 Å²	190	150.6 Å²	150.6	83%	0.833	78%	0.779	S	S	*	*			trans	-109.9	169.9	154.9	-133.7	-99.5	0	0	0	106
729	E	28.9	Very low	28.4	Very low	173 Å²	173	148.2 Å²	148.2	81%	0.808	78%	0.784	S	S	*	*			trans	75.4	78.8	-179	-49.5	-167.7	149.8	0	0	115.8
730	Q	25.4	Very low	28	Very low	186 Å²	186	151.9 Å²	151.9	87%	0.869	79%	0.793	S	S	*	*				29.9	153.6	113.2	-83.3	-170.1	9.7	0	0	121.3
731	P	39.4	Very low	27.7	Very low	102 Å²	102	150.8 Å²	150.8	66%	0.662	79%	0.79	S	S	*	*				-140.3	-169.8	-60.4	34.5	-11.4	0	0	0	113.1
732	E	25.4	Very low	27.5	Very low	165 Å²	165	151.5 Å²	151.5	77%	0.771	79%	0.789	S	S	*	*			trans	88.2	135.3	156.6	-65.9	-53.4	151.9	0	0	124.4
733	E	26.5	Very low	27.6	Very low	168 Å²	168	152.3 Å²	152.3	79%	0.785	79%	0.789	S	S	*	*			trans	28.8	113.1	158.8	-83.9	-168.7	152.1	0	0	125.2
734	S	26.1	Very low	27.3	Very low	108 Å²	108	153.8 Å²	153.8	76%	0.755	79%	0.788	S	S	*	*				130.2	125.7	102.1	69.7	0	0	0	0	120.2
735	K	27.2	Very low	27.2	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	79%	0.79	S	S	*	*			trans	28.4	123	148.5	-66.3	172.7	-177.8	163.7	0	122.6
736	K	27.1	Very low	26.9	Very low	216 Å²	216	152.8 Å²	152.8	94%	0.939	79%	0.789	S	S	*	*			trans	53.5	118.7	136.8	-70	-167.9	171.6	-166.6	0	119.8
737	G	24.7	Very low	27.2	Very low	78 Å²	78	151 Å²	151	80%	0.804	79%	0.791	S	S	*	*			trans	-153.5	159.8	157.8	0	0	0	0	0	110.7
738	E	25.3	Very low	28.6	Very low	208 Å²	208	149.1 Å²	149.1	97%	0.972	79%	0.788	S	S	*	*			trans	-98.9	-176.1	178.4	-65.6	-177	128.2	0	0	111.7
739	A	29.8	Very low	28.7	Very low	100 Å²	100	146.1 Å²	146.1	83%	0.826	77%	0.771	S	S	*	*			trans	-77.3	154.5	-173.1	0	0	0	0	0	114.5
740	D	25.1	Very low	28.7	Very low	157 Å²	157	142 Å²	142	84%	0.84	76%	0.761	S	S	*	*			trans	-161.7	168.8	134.8	-143.7	-11.7	0	0	0	113.8
741	S	25.8	Very low	29	Very low	85 Å²	85	140.1 Å²	140.1	59%	0.594	75%	0.752	S	S	*	*			trans	51	118.8	150	72.8	0	0	0	0	123.5
742	D	26.2	Very low	28.4	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	76%	0.759	S	S	*	*				44.1	135.9	116.2	-52.7	-22.2	0	0	0	123.8
743	D	28.4	Very low	28.6	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	76%	0.758	S	S	*	*			trans	57.2	159.2	143.6	-67	-26.3	0	0	0	120.6
744	D	27.4	Very low	28.6	Very low	147 Å²	147	142.1 Å²	142.1	79%	0.786	76%	0.762	S	S	*	*			cis	-145.8	174.6	10.3	-153.1	-10.7	0	0	0	113.3
745	D	26	Very low	28.5	Very low	116 Å²	116	141.4 Å²	141.4	62%	0.62	76%	0.757	S	S	*	*			trans	-38.9	138.1	175	-179.3	32.6	0	0	0	117.3	S747	D745-S747 PolarHBondContact OD1-N 3.25Å; D745-S747 VanDerWaalsContact OD1-N 3.09Å
746	R	24.7	Very low	28.5	Very low	245 Å²	245	142.5 Å²	142.5	93%	0.925	76%	0.757	S	S	*	*				-157.8	113.5	123.2	-109.9	164.6	-157.6	-149.8	4.8	115.4
747	S	33.3	Very low	28.3	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	75%	0.748	S	S	*	*			trans	-127.2	-169.1	163	-134.7	0	0	0	0	109.1	D745	D745-S747 PolarHBondContact OD1-N 3.25Å; D745-S747 VanDerWaalsContact OD1-N 3.09Å
748	P	54.1	Low	28.9	Very low	99 Å²	99	141.2 Å²	141.2	64%	0.643	75%	0.751	S	S	*	*			cis	-132	-137.3	-13.1	28.5	-3.7	0	0	0	111.4
749	R	26.9	Very low	29.4	Very low	128 Å²	128	136.4 Å²	136.4	48%	0.483	74%	0.738	S	S	.	*			trans	84.4	122.9	160.8	-65.8	-178.6	176.7	-177.4	-2.1	113.3	S890 E891	R749-S890 PolarHBondContact NH2-O 3.22Å; R749-E891 IonicContact CZ-OE1 3.05Å; R749-E891 IonicContact NH1-OE1 2.76Å; R749-E891 PolarHBondContact NH1-OE1 2.76Å; R749-E891 IonicContact NH2-OE1 3.61Å; R749-E891 PolarHBondContact NH2-OE1 3.06Å
750	S	28.2	Very low	29.4	Very low	86 Å²	86	139.8 Å²	139.8	60%	0.601	74%	0.74	S	S	*	*			cis	-154.3	169.3	25.2	-14.7	0	0	0	0	110.9	R889	S750-R889 VanDerWaalsContact CA-NH2 3.27Å; S750-R889 VanDerWaalsContact CB-NH1 3.34Å; S750-R889 VanDerWaalsContact CB-NH2 3.32Å; S750-R889 VanDerWaalsContact OG-CZ 3.29Å; S750-R889 PolarHBondContact OG-NH1 3.46Å
751	E	32.1	Very low	30	Very low	147 Å²	147	142.4 Å²	142.4	69%	0.687	74%	0.738	S	S	*	*			cis	91.7	98.4	9.7	-57.6	174.6	92.7	0	0	119.8	R889	E751-R889 IonicContact OE2-CZ 3.4Å; E751-R889 IonicContact OE2-NE 3.79Å; E751-R889 IonicContact OE2-NH2 2.75Å; E751-R889 PolarHBondContact OE2-NH2 3.39Å
752	D	26.5	Very low	30.6	Very low	150 Å²	150	144.3 Å²	144.3	80%	0.802	74%	0.742	S	S	*	*			trans	-165.2	163.6	135.2	-138.7	-31.2	0	0	0	112.5
753	N	28.8	Very low	31.2	Very low	141 Å²	141	143.2 Å²	143.2	75%	0.754	74%	0.736	S	S	*	*			trans	-139.3	143.4	-161.1	-175.6	7.9	0	0	0	116.2
754	Q	27	Very low	32	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	73%	0.728	S	S	*	*			trans	-158	106.3	169.6	-132.6	161.6	89.2	0	0	118.4
755	S	24	Very low	32.6	Very low	93 Å²	93	138 Å²	138	65%	0.65	72%	0.715	S	S	*	*			trans	35.5	108.1	141	-64.5	0	0	0	0	124.8
756	Y	27.1	Very low	33.6	Very low	221 Å²	221	137.6 Å²	137.6	87%	0.867	71%	0.712	S	S	*	*				72.6	140.2	125.2	-76.2	-78.1	0	0	0	125.1
757	S	23.1	Very low	34.7	Very low	107 Å²	107	134 Å²	134	75%	0.748	70%	0.704	S	S	*	*			trans	97.5	93.3	147.2	72.8	0	0	0	0	121.1
758	N	37.1	Very low	35.4	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	70%	0.695	S	S	*	*			trans	39.6	153.9	131.6	-59.9	1.9	0	0	0	122.2
759	P	35.8	Very low	35.1	Very low	108 Å²	108	133 Å²	133	70%	0.701	69%	0.688	S	S	*	*			cis	-130.2	166.2	7.7	41.4	-26.4	0	0	0	115.7
760	I	30.4	Very low	36.2	Very low	170 Å²	170	132 Å²	132	87%	0.872	69%	0.69	S	S	*	*			trans	-84.7	140.5	161.1	-65	175.7	0	0	0	109.3
761	R	36.8	Very low	37.3	Very low	212 Å²	212	131.9 Å²	131.9	80%	0.8	69%	0.689	S	S	*	*			trans	-140.3	161	178.2	-102.3	-178.9	160	-177.2	-6.5	109.6	D763	R761-D763 PolarHBondContact O-N 3.32Å; R761-D763 VanDerWaalsContact O-N 3.16Å
762	D	37.9	Very low	38.3	Very low	126 Å²	126	131.3 Å²	131.3	67%	0.674	69%	0.686	S	S	*	*			trans	-54	111.1	-172.4	-59.2	-88.8	0	0	0	115.1	S764	D762-S764 VanDerWaalsContact C-N 3.34Å
763	D	39.2	Very low	39.7	Very low	121 Å²	121	127 Å²	127	65%	0.647	66%	0.662	S	S	*	*	H	α-helix	trans	-73.4	-25.1	170.7	-105.2	-57.2	0	0	0	113	R761 D765 L766 K767	R761-D763 PolarHBondContact O-N 3.32Å; R761-D763 VanDerWaalsContact O-N 3.16Å; D763-D765 VanDerWaalsContact C-N 3.31Å; D763-D765 PolarHBondContact O-N 2.94Å; D763-L766 PolarHBondContact O-N 3.37Å; D763-L766 VanDerWaalsContact O-N 3.13Å; D763-K767 PolarHBondContact O-N 3.05Å
764	S	45.3	Very low	41.4	Very low	92 Å²	92	123.8 Å²	123.8	64%	0.643	65%	0.645	S	S	*	*	H	α-helix	trans	-54.7	-46.3	-177.3	-48.9	0	0	0	0	112.5	D762 L766 K767 A768	D762-S764 VanDerWaalsContact C-N 3.34Å; S764-L766 VanDerWaalsContact C-N 3.34Å; S764-K767 PolarHBondContact O-N 2.63Å; S764-A768 PolarHBondContact O-N 3.27Å; S764-A768 VanDerWaalsContact O-N 3.14Å
765	D	40.4	Very low	43.9	Very low	94 Å²	94	118.9 Å²	118.9	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-72	-29.8	-177.6	-126.5	49	0	0	0	112	D763 K769	D763-D765 VanDerWaalsContact C-N 3.31Å; D763-D765 PolarHBondContact O-N 2.94Å; D765-K769 WeakPolarHBondContact O-CD 2.89Å; D765-K769 WeakPolarHBondContact O-CG 3.44Å; D765-K769 PolarHBondContact O-N 3.11Å; D765-K769 IonicContact OD2-NZ 2.77Å; D765-K769 PolarHBondContact OD2-NZ 3.1Å
766	L	46.8	Very low	46.4	Very low	109 Å²	109	119.8 Å²	119.8	57%	0.571	62%	0.616	S	S	*	*	H	α-helix	trans	-73.8	-40.6	175.1	-62.8	177.2	0	0	0	111.1	D763 S764 K769 M770	D763-L766 PolarHBondContact O-N 3.37Å; D763-L766 VanDerWaalsContact O-N 3.13Å; S764-L766 VanDerWaalsContact C-N 3.34Å; L766-K769 PolarHBondContact O-N 3.06Å; L766-M770 VanDerWaalsContact O-CB 3.27Å; L766-M770 WeakPolarHBondContact O-CB 3.2Å; L766-M770 PolarHBondContact O-N 2.89Å
767	K	47	Very low	48.9	Very low	170 Å²	170	112.2 Å²	112.2	74%	0.739	59%	0.588	S	S	*	*	H	α-helix	trans	-65.1	-39.5	177	-165.8	171.4	-176.8	176.9	0	112	D763 S764 S771	D763-K767 PolarHBondContact O-N 3.05Å; S764-K767 PolarHBondContact O-N 2.63Å; K767-S771 PolarHBondContact O-N 3.27Å
768	A	48.7	Very low	51.7	Low	58 Å²	58	114.5 Å²	114.5	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-60.2	-53.5	172.6	0	0	0	0	0	111.8	S764 M770 S771 E772	S764-A768 PolarHBondContact O-N 3.27Å; S764-A768 VanDerWaalsContact O-N 3.14Å; A768-M770 VanDerWaalsContact C-N 3.31Å; A768-M770 PolarHBondContact O-N 2.95Å; A768-S771 WeakPolarHBondContact O-CB 3.42Å; A768-S771 PolarHBondContact O-N 3.16Å; A768-E772 PolarHBondContact O-N 3.33Å
769	K	47.9	Very low	54	Low	116 Å²	116	110.1 Å²	110.1	50%	0.504	56%	0.559	S	S	.	*	H	α-helix	trans	-64.5	-31.8	179.6	-72.5	163.4	-177.2	148.2	0	113.2	D765 L766 M773	D765-K769 WeakPolarHBondContact O-CD 2.89Å; D765-K769 WeakPolarHBondContact O-CG 3.44Å; D765-K769 PolarHBondContact O-N 3.11Å; D765-K769 IonicContact OD2-NZ 2.77Å; D765-K769 PolarHBondContact OD2-NZ 3.1Å; L766-K769 PolarHBondContact O-N 3.06Å; K769-M773 WeakPolarHBondContact O-CB 3.4Å; K769-M773 PolarHBondContact O-N 3.1Å
770	M	49.7	Very low	56.4	Low	106 Å²	106	107.3 Å²	107.3	52%	0.522	54%	0.535	S	S	.	.	H	α-helix	trans	-66.3	-39.4	172.1	-170.8	76.4	80	0	0	111.6	L766 A768 M773 N774	L766-M770 VanDerWaalsContact O-CB 3.27Å; L766-M770 WeakPolarHBondContact O-CB 3.2Å; L766-M770 PolarHBondContact O-N 2.89Å; A768-M770 VanDerWaalsContact C-N 3.31Å; A768-M770 PolarHBondContact O-N 2.95Å; M770-M773 HydrophobicContact SD-CE 3.48Å; M770-M773 WeakPolarHBondContact SD-CE 3.5Å; M770-N774 WeakPolarHBondContact O-CB 3.44Å; M770-N774 PolarHBondContact O-N 3.37Å; M770-N774 VanDerWaalsContact O-N 3.11Å; M770-N774 PolarHBondContact O-ND2 2.83Å
771	S	52.6	Low	59.1	Low	83 Å²	83	103.3 Å²	103.3	58%	0.58	52%	0.515	S	S	*	.	H	α-helix	trans	-67.3	-45.8	176.5	-160.6	0	0	0	0	111.7	K767 A768 N774 E775	K767-S771 PolarHBondContact O-N 3.27Å; A768-S771 WeakPolarHBondContact O-CB 3.42Å; A768-S771 PolarHBondContact O-N 3.16Å; S771-N774 WeakPolarHBondContact O-CB 3.14Å; S771-N774 PolarHBondContact O-N 3.3Å; S771-N774 VanDerWaalsContact O-N 3.09Å; S771-E775 PolarHBondContact O-N 2.79Å; S771-E775 VanDerWaalsContact O-N 3.11Å
772	E	51.5	Low	61.7	Low	135 Å²	135	100.4 Å²	100.4	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-48.8	178.4	-162.2	165.4	-136.1	0	0	111.3	A768 N774 E775 E776	A768-E772 PolarHBondContact O-N 3.33Å; E772-N774 PolarHBondContact O-N 3.32Å; E772-E775 PolarHBondContact O-N 3.12Å; E772-E775 VanDerWaalsContact O-N 3.14Å; E772-E776 PolarHBondContact O-N 2.69Å
773	M	56.1	Low	64.3	Low	60 Å²	60	99.3 Å²	99.3	30%	0.296	50%	0.495	S	S	.	.	H	α-helix	trans	-59.2	-26.9	172.1	177.6	-178	47.7	0	0	113.2	K769 M770 K777	K769-M773 WeakPolarHBondContact O-CB 3.4Å; K769-M773 PolarHBondContact O-N 3.1Å; M770-M773 HydrophobicContact SD-CE 3.48Å; M770-M773 WeakPolarHBondContact SD-CE 3.5Å; M773-K777 HydrophobicContact CG-CD 4.49Å; M773-K777 WeakPolarHBondContact O-CD 3.12Å; M773-K777 VanDerWaalsContact O-CG 3.3Å; M773-K777 WeakPolarHBondContact O-CG 3.31Å; M773-K777 PolarHBondContact O-N 2.9Å; M773-K777 PolarHBondContact SD-NZ 3.08Å; M773-K777 VanDerWaalsContact SD-NZ 3.41Å
774	N	66.1	Low	66.9	Low	73 Å²	73	94 Å²	94	39%	0.39	47%	0.467	S	S	.	.	H	α-helix	trans	-79	-33.1	177	-78.9	-16	0	0	0	112.6	M770 S771 E772 K777 R778	M770-N774 WeakPolarHBondContact O-CB 3.44Å; M770-N774 PolarHBondContact O-N 3.37Å; M770-N774 VanDerWaalsContact O-N 3.11Å; M770-N774 PolarHBondContact O-ND2 2.83Å; S771-N774 WeakPolarHBondContact O-CB 3.14Å; S771-N774 PolarHBondContact O-N 3.3Å; S771-N774 VanDerWaalsContact O-N 3.09Å; E772-N774 PolarHBondContact O-N 3.32Å; N774-K777 PolarHBondContact O-N 3.5Å; N774-R778 WeakPolarHBondContact O-CG 3.4Å; N774-R778 PolarHBondContact O-N 3.49Å
775	E	78.3	Confident	69.2	Low	82 Å²	82	92.9 Å²	92.9	38%	0.383	45%	0.451	S	S	.	.	H	α-helix	trans	-75.1	-33.2	172.4	-165.3	57.8	-151.1	0	0	111.8	S771 E772 K777 R778 T779 R782	S771-E775 PolarHBondContact O-N 2.79Å; S771-E775 VanDerWaalsContact O-N 3.11Å; E772-E775 PolarHBondContact O-N 3.12Å; E772-E775 VanDerWaalsContact O-N 3.14Å; E775-K777 VanDerWaalsContact C-N 3.28Å; E775-K777 PolarHBondContact O-N 2.77Å; E775-R778 PolarHBondContact O-N 2.97Å; E775-R778 WeakPolarHBondContact OE2-CD 3.47Å; E775-T779 WeakPolarHBondContact O-CG2 3.42Å; E775-T779 PolarHBondContact O-N 2.85Å; E775-T779 PolarHBondContact O-OG1 2.88Å; E775-R782 IonicContact OE1-NH1 3.5Å; E775-R782 PolarHBondContact OE1-NH1 3.12Å
776	E	77.3	Confident	71.7	Confident	113 Å²	113	93 Å²	93	53%	0.528	46%	0.455	S	S	.	.	H	α-helix	trans	-57.8	-39.7	167.5	-72.3	-170.6	160	0	0	112.1	E772 T779 K780	E772-E776 PolarHBondContact O-N 2.69Å; E776-T779 WeakPolarHBondContact CA-OG1 3.32Å; E776-T779 PolarHBondContact O-OG1 3.28Å; E776-K780 WeakPolarHBondContact O-CB 3.49Å; E776-K780 WeakPolarHBondContact O-CG 3.48Å; E776-K780 PolarHBondContact O-N 2.87Å
777	K	79.6	Confident	73.9	Confident	62 Å²	62	91.3 Å²	91.3	27%	0.27	44%	0.443	S	S	.	.	H	α-helix	trans	-68.9	-39.8	174.4	-72.4	166.1	-169.5	163.4	0	112.2	M773 N774 E775 K780 L781 E827	M773-K777 HydrophobicContact CG-CD 4.49Å; M773-K777 WeakPolarHBondContact O-CD 3.12Å; M773-K777 VanDerWaalsContact O-CG 3.3Å; M773-K777 WeakPolarHBondContact O-CG 3.31Å; M773-K777 PolarHBondContact O-N 2.9Å; M773-K777 PolarHBondContact SD-NZ 3.08Å; M773-K777 VanDerWaalsContact SD-NZ 3.41Å; N774-K777 PolarHBondContact O-N 3.5Å; E775-K777 VanDerWaalsContact C-N 3.28Å; E775-K777 PolarHBondContact O-N 2.77Å; K777-K780 PolarHBondContact O-N 3.5Å; K777-L781 WeakPolarHBondContact O-CG 3.48Å; K777-L781 PolarHBondContact O-N 3.34Å; K777-E827 WeakPolarHBondContact CE-OE1 3.47Å; K777-E827 IonicContact NZ-OE1 2.7Å
778	R	80.5	Confident	76.2	Confident	155 Å²	155	83.7 Å²	83.7	59%	0.585	41%	0.411	S	S	*	.	H	α-helix	trans	-63.5	-42	176.4	-74.5	167.6	173.4	-120.7	-4.3	112.1	N774 E775 L781 R782	N774-R778 WeakPolarHBondContact O-CG 3.4Å; N774-R778 PolarHBondContact O-N 3.49Å; E775-R778 PolarHBondContact O-N 2.97Å; E775-R778 WeakPolarHBondContact OE2-CD 3.47Å; R778-L781 PolarHBondContact O-N 3.49Å; R778-R782 WeakPolarHBondContact O-CG 3.49Å; R778-R782 PolarHBondContact O-N 2.97Å
779	T	85.9	Confident	78.2	Confident	68 Å²	68	86.3 Å²	86.3	42%	0.417	42%	0.415	S	S	.	.	H	α-helix	trans	-68.5	-43.3	175.9	49.9	0	0	0	0	112.4	E775 E776 L781 R782 E783	E775-T779 WeakPolarHBondContact O-CG2 3.42Å; E775-T779 PolarHBondContact O-N 2.85Å; E775-T779 PolarHBondContact O-OG1 2.88Å; E776-T779 WeakPolarHBondContact CA-OG1 3.32Å; E776-T779 PolarHBondContact O-OG1 3.28Å; T779-L781 VanDerWaalsContact C-N 3.33Å; T779-L781 PolarHBondContact O-N 3.12Å; T779-R782 PolarHBondContact O-N 3.28Å; T779-E783 PolarHBondContact O-N 3.11Å
780	K	86.9	Confident	80.3	Confident	48 Å²	48	86.6 Å²	86.6	21%	0.209	42%	0.416	C	S	.	.	H	α-helix	trans	-56.9	-42	171.7	-75.2	172.4	176	-153.4	0	112.6	E776 K777 E783 I784 E823 E830	E776-K780 WeakPolarHBondContact O-CB 3.49Å; E776-K780 WeakPolarHBondContact O-CG 3.48Å; E776-K780 PolarHBondContact O-N 2.87Å; K777-K780 PolarHBondContact O-N 3.5Å; K780-E783 PolarHBondContact O-N 3.3Å; K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 2.94Å; K780-I784 VanDerWaalsContact O-N 3.11Å; K780-E823 HydrophobicContact CD-CG 4.21Å; K780-E823 VanDerWaalsContact CD-OE1 3.3Å; K780-E823 WeakPolarHBondContact CD-OE1 3.38Å; K780-E823 WeakPolarHBondContact CE-OE1 3.35Å; K780-E823 IonicContact NZ-OE1 3.2Å; K780-E823 PolarHBondContact NZ-OE1 3.01Å; K780-E830 IonicContact NZ-OE2 2.85Å
781	L	87.3	Confident	82.4	Confident	86 Å²	86	82.4 Å²	82.4	45%	0.45	40%	0.395	S	S	.	.	H	α-helix	trans	-65.1	-46	175.9	-73.6	169	0	0	0	112	K777 R778 T779 E783 I784 E785 L820	K777-L781 WeakPolarHBondContact O-CG 3.48Å; K777-L781 PolarHBondContact O-N 3.34Å; R778-L781 PolarHBondContact O-N 3.49Å; T779-L781 VanDerWaalsContact C-N 3.33Å; T779-L781 PolarHBondContact O-N 3.12Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 3.14Å; L781-I784 WeakPolarHBondContact O-CB 3.31Å; L781-I784 PolarHBondContact O-N 3.29Å; L781-E785 PolarHBondContact O-N 3.43Å; L781-L820 HydrophobicContact CD2-CD2 3.83Å
782	R	90.8	Very high	84.2	Confident	152 Å²	152	81.3 Å²	81.3	57%	0.574	38%	0.38	S	S	*	.	H	α-helix	trans	-56.1	-41.1	173.1	-71.3	171	178.3	143.3	-2	112	E775 R778 T779 I784 E785 V786	E775-R782 IonicContact OE1-NH1 3.5Å; E775-R782 PolarHBondContact OE1-NH1 3.12Å; R778-R782 WeakPolarHBondContact O-CG 3.49Å; R778-R782 PolarHBondContact O-N 2.97Å; T779-R782 PolarHBondContact O-N 3.28Å; R782-I784 VanDerWaalsContact C-N 3.29Å; R782-I784 PolarHBondContact O-N 2.94Å; R782-E785 PolarHBondContact O-N 3.45Å; R782-V786 WeakPolarHBondContact O-CG2 3.41Å; R782-V786 PolarHBondContact O-N 2.92Å
783	E	93.1	Very high	86.1	Confident	102 Å²	102	78.4 Å²	78.4	48%	0.477	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-28.1	177.5	-153.1	-147.8	161.5	0	0	112.9	T779 K780 L781 K787	T779-E783 PolarHBondContact O-N 3.11Å; K780-E783 PolarHBondContact O-N 3.3Å; L781-E783 VanDerWaalsContact C-N 3.27Å; L781-E783 PolarHBondContact O-N 3.14Å; E783-K787 VanDerWaalsContact O-CD 3.24Å; E783-K787 WeakPolarHBondContact O-CD 3.35Å; E783-K787 WeakPolarHBondContact O-CE 3.07Å; E783-K787 VanDerWaalsContact O-CG 3.25Å; E783-K787 WeakPolarHBondContact O-CG 3.46Å; E783-K787 PolarHBondContact O-N 3.39Å; E783-K787 WeakPolarHBondContact OE1-CE 3.43Å; E783-K787 IonicContact OE1-NZ 2.99Å; E783-K787 PolarHBondContact OE1-NZ 3.41Å; E783-K787 IonicContact OE2-NZ 3.85Å; E783-K787 PolarHBondContact OE2-NZ 3.02Å; E783-K787 VanDerWaalsContact OE2-NZ 3.08Å
784	I	92.9	Very high	87.7	Confident	10 Å²	10	77.6 Å²	77.6	5%	0.051	37%	0.365	C	S	.	.	H	α-helix	trans	-72.7	-49	172.6	-70.6	171.8	0	0	0	110.2	K780 L781 R782 V786 K787 V788 L819 L820 E823	K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 2.94Å; K780-I784 VanDerWaalsContact O-N 3.11Å; L781-I784 WeakPolarHBondContact O-CB 3.31Å; L781-I784 PolarHBondContact O-N 3.29Å; R782-I784 VanDerWaalsContact C-N 3.29Å; R782-I784 PolarHBondContact O-N 2.94Å; I784-V786 VanDerWaalsContact C-N 3.33Å; I784-V786 PolarHBondContact O-N 3.26Å; I784-K787 WeakPolarHBondContact O-CA 2.82Å; I784-K787 WeakPolarHBondContact O-CB 3.07Å; I784-K787 PolarHBondContact O-N 3.08Å; I784-V788 HydrophobicContact CG2-CG2 4.3Å; I784-V788 WeakPolarHBondContact O-CG2 3.49Å; I784-V788 PolarHBondContact O-N 3.31Å; I784-L819 HydrophobicContact CG1-CB 4.32Å; I784-L819 HydrophobicContact CG2-CB 3.87Å; I784-L819 HydrophobicContact CG2-CD1 4.18Å; I784-L820 HydrophobicContact CD1-CD2 3.93Å; I784-L820 HydrophobicContact CG2-CD2 4.34Å; I784-L820 HydrophobicContact CG2-CG 4.37Å; I784-E823 HydrophobicContact CD1-CB 4.18Å
785	E	92.9	Very high	88.9	Confident	69 Å²	69	74.7 Å²	74.7	32%	0.322	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-39.7	179.8	-59.3	-53.6	156.7	0	0	112.3	L781 R782 K787 V788 M789 R816	L781-E785 PolarHBondContact O-N 3.43Å; R782-E785 PolarHBondContact O-N 3.45Å; E785-K787 VanDerWaalsContact C-N 3.27Å; E785-K787 PolarHBondContact O-N 3.15Å; E785-V788 PolarHBondContact O-N 3.04Å; E785-V788 VanDerWaalsContact O-N 3.12Å; E785-M789 WeakPolarHBondContact O-CB 3.47Å; E785-M789 PolarHBondContact O-N 2.92Å; E785-R816 VanDerWaalsContact CD-NH2 3.27Å; E785-R816 IonicContact OE1-CZ 3.98Å; E785-R816 VanDerWaalsContact OE1-CZ 3.31Å; E785-R816 IonicContact OE1-NE 3.21Å; E785-R816 PolarHBondContact OE1-NE 3.15Å; E785-R816 IonicContact OE1-NH2 3.64Å; E785-R816 PolarHBondContact OE1-NH2 3.19Å; E785-R816 IonicContact OE2-CZ 2.84Å; E785-R816 IonicContact OE2-NE 3.02Å; E785-R816 PolarHBondContact OE2-NE 3.38Å; E785-R816 VanDerWaalsContact OE2-NE 3.08Å; E785-R816 IonicContact OE2-NH2 2.83Å; E785-R816 PolarHBondContact OE2-NH2 3.23Å
786	V	93.9	Very high	89.3	Confident	95 Å²	95	76.3 Å²	76.3	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-61.3	-34.4	174	170.4	0	0	0	0	112.3	R782 I784 K790	R782-V786 WeakPolarHBondContact O-CG2 3.41Å; R782-V786 PolarHBondContact O-N 2.92Å; I784-V786 VanDerWaalsContact C-N 3.33Å; I784-V786 PolarHBondContact O-N 3.26Å; V786-K790 WeakPolarHBondContact O-CB 3.5Å; V786-K790 PolarHBondContact O-N 3.4Å; V786-K790 VanDerWaalsContact O-N 3.12Å
787	K	92.6	Very high	89.8	Confident	74 Å²	74	73.8 Å²	73.8	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-73.5	-34.7	174.8	-69.4	162.2	-169.3	162.3	0	112	E783 I784 E785 F791 Y815 L819	E783-K787 VanDerWaalsContact O-CD 3.24Å; E783-K787 WeakPolarHBondContact O-CD 3.35Å; E783-K787 WeakPolarHBondContact O-CE 3.07Å; E783-K787 VanDerWaalsContact O-CG 3.25Å; E783-K787 WeakPolarHBondContact O-CG 3.46Å; E783-K787 PolarHBondContact O-N 3.39Å; E783-K787 WeakPolarHBondContact OE1-CE 3.43Å; E783-K787 IonicContact OE1-NZ 2.99Å; E783-K787 PolarHBondContact OE1-NZ 3.41Å; E783-K787 IonicContact OE2-NZ 3.85Å; E783-K787 PolarHBondContact OE2-NZ 3.02Å; E783-K787 VanDerWaalsContact OE2-NZ 3.08Å; I784-K787 WeakPolarHBondContact O-CA 2.82Å; I784-K787 WeakPolarHBondContact O-CB 3.07Å; I784-K787 PolarHBondContact O-N 3.08Å; E785-K787 VanDerWaalsContact C-N 3.27Å; E785-K787 PolarHBondContact O-N 3.15Å; K787-F791 VanDerWaalsContact O-CB 3.29Å; K787-F791 WeakPolarHBondContact O-CB 3.49Å; K787-F791 PolarHBondContact O-N 3.46Å; K787-Y815 HydrophobicContact CB-CE1 4.5Å; K787-Y815 WeakPolarHBondContact O-CE1 3.34Å; K787-L819 HydrophobicContact CB-CD1 3.67Å; K787-L819 HydrophobicContact CD-CD1 4.27Å
788	V	95.1	Very high	90	Very high	10 Å²	10	73.7 Å²	73.7	6%	0.061	37%	0.369	C	S	.	.	H	α-helix	trans	-67.4	-49.9	176.3	174.2	0	0	0	0	110.2	I784 E785 K790 F791 Q792 V812 Y815 R816 L819	I784-V788 HydrophobicContact CG2-CG2 4.3Å; I784-V788 WeakPolarHBondContact O-CG2 3.49Å; I784-V788 PolarHBondContact O-N 3.31Å; E785-V788 PolarHBondContact O-N 3.04Å; E785-V788 VanDerWaalsContact O-N 3.12Å; V788-K790 PolarHBondContact O-N 3.18Å; V788-F791 WeakPolarHBondContact O-CB 3.43Å; V788-F791 PolarHBondContact O-N 2.94Å; V788-Q792 PolarHBondContact O-N 3.37Å; V788-V812 HydrophobicContact CG1-CG1 3.52Å; V788-Y815 HydrophobicContact CG2-CD1 4.4Å; V788-R816 HydrophobicContact CG1-CB 4.21Å; V788-R816 HydrophobicContact CG2-CB 3.61Å; V788-R816 HydrophobicContact CG2-CG 3.81Å; V788-L819 HydrophobicContact CG2-CD1 4.14Å
789	M	91.3	Very high	90.2	Very high	114 Å²	114	74.1 Å²	74.1	56%	0.562	38%	0.375	S	S	*	.	H	α-helix	trans	-55.9	-50	175.3	-165.4	-173.6	94	0	0	111.1	E785 F791 Q792 D793	E785-M789 WeakPolarHBondContact O-CB 3.47Å; E785-M789 PolarHBondContact O-N 2.92Å; M789-F791 VanDerWaalsContact C-N 3.26Å; M789-F791 PolarHBondContact O-N 3.38Å; M789-Q792 WeakPolarHBondContact O-CA 3.49Å; M789-Q792 WeakPolarHBondContact O-CB 3.25Å; M789-Q792 PolarHBondContact O-N 3.04Å; M789-Q792 VanDerWaalsContact O-N 3.08Å; M789-D793 VanDerWaalsContact O-CG 3.26Å; M789-D793 PolarHBondContact O-N 3.35Å
790	K	92	Very high	90.1	Very high	122 Å²	122	75.5 Å²	75.5	53%	0.53	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-31.6	176	179.3	167.2	176.8	168.5	0	113.7	V786 V788 E794	V786-K790 WeakPolarHBondContact O-CB 3.5Å; V786-K790 PolarHBondContact O-N 3.4Å; V786-K790 VanDerWaalsContact O-N 3.12Å; V788-K790 PolarHBondContact O-N 3.18Å; K790-E794 WeakPolarHBondContact CE-OE1 3.44Å; K790-E794 IonicContact NZ-OE1 3.26Å; K790-E794 WeakPolarHBondContact O-CB 3.41Å; K790-E794 VanDerWaalsContact O-CG 3.28Å; K790-E794 WeakPolarHBondContact O-CG 3.45Å; K790-E794 PolarHBondContact O-N 3.33Å
791	F	93.1	Very high	89.9	Confident	17 Å²	17	78.7 Å²	78.7	8%	0.075	40%	0.398	C	S	.	.	H	α-helix	trans	-74.8	-32.6	176.1	178.1	-94.7	0	0	0	112.1	K787 V788 M789 L795 Q811 V812 Y815	K787-F791 VanDerWaalsContact O-CB 3.29Å; K787-F791 WeakPolarHBondContact O-CB 3.49Å; K787-F791 PolarHBondContact O-N 3.46Å; V788-F791 WeakPolarHBondContact O-CB 3.43Å; V788-F791 PolarHBondContact O-N 2.94Å; M789-F791 VanDerWaalsContact C-N 3.26Å; M789-F791 PolarHBondContact O-N 3.38Å; F791-L795 HydrophobicContact CD1-CD1 3.9Å; F791-L795 HydrophobicContact CE1-CD1 3.42Å; F791-L795 VanDerWaalsContact CE1-CD1 3.42Å; F791-L795 HydrophobicContact CE1-CG 4.34Å; F791-L795 HydrophobicContact CZ-CD1 3.92Å; F791-L795 WeakPolarHBondContact O-CG 3.44Å; F791-L795 PolarHBondContact O-N 2.95Å; F791-L795 VanDerWaalsContact O-N 3.15Å; F791-Q811 HydrophobicContact CE1-CG 4.26Å; F791-Q811 WeakPolarHBondContact CE1-O 3.46Å; F791-Q811 HydrophobicContact CZ-CG 4.26Å; F791-V812 HydrophobicContact CD1-CG2 4.14Å; F791-V812 HydrophobicContact CE1-CG2 4.41Å; F791-Y815 HydrophobicContact CB-CD1 3.54Å; F791-Y815 HydrophobicContact CB-CE1 3.45Å; F791-Y815 VanDerWaalsContact CB-CE1 3.45Å; F791-Y815 HydrophobicContact CB-CG 4.31Å; F791-Y815 AromaticContact CD1-CD1 3.59Å; F791-Y815 HydrophobicContact CD1-CD1 3.59Å; F791-Y815 HydrophobicContact CD1-CD2 4.36Å; F791-Y815 HydrophobicContact CD1-CE1 4.31Å; F791-Y815 AromaticContact CD1-CG 3.62Å; F791-Y815 HydrophobicContact CD1-CG 3.62Å; F791-Y815 AromaticContact CD2-CD1 4Å; F791-Y815 HydrophobicContact CD2-CD1 4Å; F791-Y815 AromaticContact CD2-CD2 3.95Å; F791-Y815 HydrophobicContact CD2-CD2 3.95Å; F791-Y815 HydrophobicContact CD2-CE1 4.02Å; F791-Y815 AromaticContact CD2-CE2 3.98Å; F791-Y815 HydrophobicContact CD2-CE2 3.98Å; F791-Y815 AromaticContact CD2-CG 3.96Å; F791-Y815 HydrophobicContact CD2-CG 3.96Å; F791-Y815 HydrophobicContact CE1-CD1 4.25Å; F791-Y815 HydrophobicContact CE1-CD2 4.33Å; F791-Y815 AromaticContact CE1-CG 3.8Å; F791-Y815 HydrophobicContact CE1-CG 3.8Å; F791-Y815 AromaticContact CE2-CD2 3.9Å; F791-Y815 HydrophobicContact CE2-CD2 3.9Å; F791-Y815 HydrophobicContact CE2-CE2 4.21Å; F791-Y815 HydrophobicContact CE2-CG 4.12Å; F791-Y815 AromaticContact CG-CD1 3.43Å; F791-Y815 HydrophobicContact CG-CD1 3.43Å; F791-Y815 VanDerWaalsContact CG-CD1 3.43Å; F791-Y815 HydrophobicContact CG-CD2 4.18Å; F791-Y815 AromaticContact CG-CE1 3.68Å; F791-Y815 HydrophobicContact CG-CE1 3.68Å; F791-Y815 HydrophobicContact CG-CE2 4.4Å; F791-Y815 AromaticContact CG-CG 3.7Å; F791-Y815 HydrophobicContact CG-CG 3.7Å; F791-Y815 HydrophobicContact CZ-CD2 4.1Å; F791-Y815 HydrophobicContact CZ-CG 4.04Å
792	Q	91.2	Very high	89.7	Confident	60 Å²	60	80.6 Å²	80.6	28%	0.28	40%	0.402	S	S	.	.	H	α-helix	trans	-64.5	-51.7	168.1	-178.8	174.3	-6.6	0	0	110.7	V788 M789 E794 L795 E796 V812	V788-Q792 PolarHBondContact O-N 3.37Å; M789-Q792 WeakPolarHBondContact O-CA 3.49Å; M789-Q792 WeakPolarHBondContact O-CB 3.25Å; M789-Q792 PolarHBondContact O-N 3.04Å; M789-Q792 VanDerWaalsContact O-N 3.08Å; Q792-E794 PolarHBondContact O-N 2.87Å; Q792-L795 WeakPolarHBondContact O-CA 3.4Å; Q792-L795 PolarHBondContact O-N 3.25Å; Q792-E796 HydrophobicContact CG-CG 4.3Å; Q792-E796 WeakPolarHBondContact CG-OE1 3.46Å; Q792-E796 PolarHBondContact NE2-OE1 2.98Å; Q792-E796 PolarHBondContact O-N 3Å; Q792-V812 HydrophobicContact CB-CG1 4.26Å; Q792-V812 HydrophobicContact CB-CG2 3.8Å; Q792-V812 HydrophobicContact CG-CG2 4.15Å
793	D	90.6	Very high	89.5	Confident	75 Å²	75	77.7 Å²	77.7	40%	0.401	39%	0.394	S	S	.	.	H	α-helix	trans	-51.8	-42.6	174.6	-60.1	-25.6	0	0	0	111.8	M789 L795 S797	M789-D793 VanDerWaalsContact O-CG 3.26Å; M789-D793 PolarHBondContact O-N 3.35Å; D793-L795 VanDerWaalsContact C-N 3.34Å; D793-S797 VanDerWaalsContact O-CB 3.23Å; D793-S797 WeakPolarHBondContact O-CB 3.37Å; D793-S797 PolarHBondContact O-N 3.45Å; D793-S797 PolarHBondContact O-OG 3.43Å
794	E	91.2	Very high	88.6	Confident	42 Å²	42	79 Å²	79	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-74.7	-18.9	-179.9	-75.3	176.6	-169.1	0	0	113.8	K790 Q792 K799 R800	K790-E794 WeakPolarHBondContact CE-OE1 3.44Å; K790-E794 IonicContact NZ-OE1 3.26Å; K790-E794 WeakPolarHBondContact O-CB 3.41Å; K790-E794 VanDerWaalsContact O-CG 3.28Å; K790-E794 WeakPolarHBondContact O-CG 3.45Å; K790-E794 PolarHBondContact O-N 3.33Å; Q792-E794 PolarHBondContact O-N 2.87Å; E794-K799 CarbonylContact O-C 3.5Å; E794-K799 PolarHBondContact O-N 2.92Å; E794-K799 VanDerWaalsContact O-N 3.15Å; E794-R800 HydrophobicContact CB-CG 4.1Å; E794-R800 PolarHBondContact O-N 3.5Å; E794-R800 IonicContact OE2-CZ 2.7Å; E794-R800 IonicContact OE2-NE 3.23Å; E794-R800 PolarHBondContact OE2-NE 3.28Å; E794-R800 IonicContact OE2-NH2 2.63Å; E794-R800 PolarHBondContact OE2-NH2 3.03Å
795	L	90.4	Very high	88	Confident	13 Å²	13	82.6 Å²	82.6	7%	0.068	45%	0.451	C	S	.	.	H	α-helix	trans	-84.9	-46	169.4	-76.6	168.6	0	0	0	111.8	F791 Q792 D793 G798 R800 I808 Q811 V812	F791-L795 HydrophobicContact CD1-CD1 3.9Å; F791-L795 HydrophobicContact CE1-CD1 3.42Å; F791-L795 VanDerWaalsContact CE1-CD1 3.42Å; F791-L795 HydrophobicContact CE1-CG 4.34Å; F791-L795 HydrophobicContact CZ-CD1 3.92Å; F791-L795 WeakPolarHBondContact O-CG 3.44Å; F791-L795 PolarHBondContact O-N 2.95Å; F791-L795 VanDerWaalsContact O-N 3.15Å; Q792-L795 WeakPolarHBondContact O-CA 3.4Å; Q792-L795 PolarHBondContact O-N 3.25Å; D793-L795 VanDerWaalsContact C-N 3.34Å; L795-G798 PolarHBondContact O-N 3.01Å; L795-G798 VanDerWaalsContact O-N 3.11Å; L795-R800 HydrophobicContact CD2-CB 3.74Å; L795-R800 HydrophobicContact CG-CB 4.32Å; L795-I808 HydrophobicContact CB-CG2 4.31Å; L795-I808 HydrophobicContact CD1-CG2 4.48Å; L795-Q811 HydrophobicContact CD1-CB 4.28Å; L795-Q811 HydrophobicContact CD1-CG 4.01Å; L795-V812 HydrophobicContact CD1-CG2 3.93Å
796	E	87.8	Confident	87.4	Confident	115 Å²	115	82 Å²	82	54%	0.537	45%	0.448	S	S	.	.	H	α-helix	trans	-68.5	-37.6	-178.6	-68.6	179.1	-169.2	0	0	111.8	Q792 G798 I808	Q792-E796 HydrophobicContact CG-CG 4.3Å; Q792-E796 WeakPolarHBondContact CG-OE1 3.46Å; Q792-E796 PolarHBondContact NE2-OE1 2.98Å; Q792-E796 PolarHBondContact O-N 3Å; E796-G798 PolarHBondContact O-N 3.28Å; E796-I808 HydrophobicContact CG-CG2 4.33Å
797	S	87	Confident	87.2	Confident	60 Å²	60	79.4 Å²	79.4	42%	0.42	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	10.9	171.5	66.3	0	0	0	0	114.7	D793 K799	D793-S797 VanDerWaalsContact O-CB 3.23Å; D793-S797 WeakPolarHBondContact O-CB 3.37Å; D793-S797 PolarHBondContact O-N 3.45Å; D793-S797 PolarHBondContact O-OG 3.43Å; S797-K799 PolarHBondContact O-N 3.09Å; S797-K799 WeakPolarHBondContact OG-CD 3.27Å; S797-K799 WeakPolarHBondContact OG-CE 3.42Å; S797-K799 PolarHBondContact OG-NZ 3.11Å
798	G	82.9	Confident	86.9	Confident	61 Å²	61	78.7 Å²	78.7	63%	0.629	43%	0.433	S	S	*	.	S	Bend	trans	68.1	3.2	175.2	0	0	0	0	0	115.9	L795 E796 R800	L795-G798 PolarHBondContact O-N 3.01Å; L795-G798 VanDerWaalsContact O-N 3.11Å; E796-G798 PolarHBondContact O-N 3.28Å; G798-R800 PolarHBondContact O-N 3.49Å
799	K	84.8	Confident	86.5	Confident	163 Å²	163	82.9 Å²	82.9	71%	0.709	45%	0.452	S	S	*	.	S	Bend	trans	-69.9	-18.6	-178.5	-66.3	170.6	-170.5	147.9	0	113	E794 S797	E794-K799 CarbonylContact O-C 3.5Å; E794-K799 PolarHBondContact O-N 2.92Å; E794-K799 VanDerWaalsContact O-N 3.15Å; S797-K799 PolarHBondContact O-N 3.09Å; S797-K799 WeakPolarHBondContact OG-CD 3.27Å; S797-K799 WeakPolarHBondContact OG-CE 3.42Å; S797-K799 PolarHBondContact OG-NZ 3.11Å
800	R	85.3	Confident	86.4	Confident	97 Å²	97	81.6 Å²	81.6	37%	0.366	45%	0.445	S	S	.	.	S	Bend	trans	-120.5	137.3	171.8	-68.9	178.1	-176.1	-111.9	2.8	110	E794 L795 G798 K802	E794-R800 HydrophobicContact CB-CG 4.1Å; E794-R800 PolarHBondContact O-N 3.5Å; E794-R800 IonicContact OE2-CZ 2.7Å; E794-R800 IonicContact OE2-NE 3.23Å; E794-R800 PolarHBondContact OE2-NE 3.28Å; E794-R800 IonicContact OE2-NH2 2.63Å; E794-R800 PolarHBondContact OE2-NH2 3.03Å; L795-R800 HydrophobicContact CD2-CB 3.74Å; L795-R800 HydrophobicContact CG-CB 4.32Å; G798-R800 PolarHBondContact O-N 3.49Å; R800-K802 PolarHBondContact O-N 3.05Å
801	P	81.1	Confident	86.2	Confident	115 Å²	115	76.7 Å²	76.7	75%	0.747	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-67.1	129.6	173.8	27.8	-33.5	0	0	0	110.8
802	K	83.7	Confident	86.1	Confident	126 Å²	126	76.1 Å²	76.1	55%	0.548	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-63.1	136.7	164.7	-176.4	179.4	176.4	-178.4	0	109.2	R800 Q806 I808	R800-K802 PolarHBondContact O-N 3.05Å; K802-Q806 WeakPolarHBondContact CE-O 3.37Å; K802-I808 HydrophobicContact CD-CG1 4.17Å
803	K	86	Confident	86	Confident	91 Å²	91	77.6 Å²	77.6	40%	0.396	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-71.8	141.3	174	-72.3	171.1	173.2	-179.3	0	110.8	G805 Q806	K803-G805 PolarHBondContact O-N 3.12Å; K803-Q806 HydrophobicContact CB-CG 4.41Å; K803-Q806 VanDerWaalsContact NZ-OE1 3.07Å
804	P	74.6	Confident	86	Confident	130 Å²	130	78.7 Å²	78.7	84%	0.844	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	132.2	171.5	27.8	-33.8	0	0	0	109.9
805	G	79.9	Confident	86.1	Confident	86 Å²	86	79.7 Å²	79.7	89%	0.887	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	8.5	175.9	0	0	0	0	0	117	K803	K803-G805 PolarHBondContact O-N 3.12Å
806	Q	81.8	Confident	86.2	Confident	57 Å²	57	84 Å²	84	27%	0.266	45%	0.449	S	S	.	.			trans	-119.8	147.6	169.9	-53.9	-157.4	-84.9	0	0	111	K802 K803 E810	K802-Q806 WeakPolarHBondContact CE-O 3.37Å; K803-Q806 HydrophobicContact CB-CG 4.41Å; K803-Q806 VanDerWaalsContact NZ-OE1 3.07Å; Q806-E810 VanDerWaalsContact CA-OE2 3.25Å; Q806-E810 WeakPolarHBondContact CA-OE2 3.47Å; Q806-E810 HydrophobicContact CB-CB 4.48Å
807	S	90.1	Very high	86.4	Confident	40 Å²	40	83.4 Å²	83.4	28%	0.28	45%	0.449	S	S	.	.			trans	-72.2	165.7	167	73.3	0	0	0	0	111.7	Q809 E810 Q811	S807-Q809 VanDerWaalsContact C-N 3.3Å; S807-E810 WeakPolarHBondContact CB-OE1 3.5Å; S807-E810 VanDerWaalsContact N-CD 3.29Å; S807-E810 PolarHBondContact N-OE1 3.14Å; S807-E810 PolarHBondContact N-OE2 2.99Å; S807-E810 VanDerWaalsContact OG-CG 3.29Å; S807-E810 WeakPolarHBondContact OG-CG 3.48Å; S807-E810 PolarHBondContact OG-N 3.5Å; S807-E810 VanDerWaalsContact OG-N 3.09Å; S807-E810 PolarHBondContact OG-OE1 3.35Å; S807-Q811 WeakPolarHBondContact O-CB 3.4Å; S807-Q811 PolarHBondContact O-N 3.47Å; S807-Q811 VanDerWaalsContact O-N 3.16Å
808	I	85.1	Confident	86.7	Confident	59 Å²	59	87.3 Å²	87.3	30%	0.303	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-43	174.6	-63.5	175.2	0	0	0	109.1	L795 E796 K802 Q811 V812	L795-I808 HydrophobicContact CB-CG2 4.31Å; L795-I808 HydrophobicContact CD1-CG2 4.48Å; E796-I808 HydrophobicContact CG-CG2 4.33Å; K802-I808 HydrophobicContact CD-CG1 4.17Å; I808-Q811 PolarHBondContact O-N 3.48Å; I808-Q811 VanDerWaalsContact O-N 3.16Å; I808-V812 HydrophobicContact CG2-CG2 4.35Å; I808-V812 VanDerWaalsContact O-CG2 3.31Å; I808-V812 WeakPolarHBondContact O-CG2 3.41Å; I808-V812 PolarHBondContact O-N 2.89Å
809	Q	86.8	Confident	87.2	Confident	98 Å²	98	85.9 Å²	85.9	46%	0.458	44%	0.437	S	S	.	.	H	α-helix	trans	-57.9	-51.9	177.7	-169.2	64.4	18.7	0	0	112.2	S807 Q811 V812 E813	S807-Q809 VanDerWaalsContact C-N 3.3Å; Q809-Q811 VanDerWaalsContact C-N 3.26Å; Q809-Q811 PolarHBondContact O-N 3.17Å; Q809-V812 PolarHBondContact O-N 3.14Å; Q809-V812 VanDerWaalsContact O-N 3.1Å; Q809-E813 WeakPolarHBondContact CG-OE1 3.46Å; Q809-E813 PolarHBondContact NE2-OE1 3.02Å; Q809-E813 WeakPolarHBondContact O-CB 3.28Å; Q809-E813 WeakPolarHBondContact O-CG 3.2Å; Q809-E813 PolarHBondContact O-N 3.36Å
810	E	89	Confident	87.4	Confident	87 Å²	87	80.2 Å²	80.2	41%	0.407	41%	0.414	S	S	.	.	H	α-helix	trans	-57.1	-38.9	175.2	-72.3	148.4	-124.5	0	0	112.6	Q806 S807 V812 H814	Q806-E810 VanDerWaalsContact CA-OE2 3.25Å; Q806-E810 WeakPolarHBondContact CA-OE2 3.47Å; Q806-E810 HydrophobicContact CB-CB 4.48Å; S807-E810 WeakPolarHBondContact CB-OE1 3.5Å; S807-E810 VanDerWaalsContact N-CD 3.29Å; S807-E810 PolarHBondContact N-OE1 3.14Å; S807-E810 PolarHBondContact N-OE2 2.99Å; S807-E810 VanDerWaalsContact OG-CG 3.29Å; S807-E810 WeakPolarHBondContact OG-CG 3.48Å; S807-E810 PolarHBondContact OG-N 3.5Å; S807-E810 VanDerWaalsContact OG-N 3.09Å; S807-E810 PolarHBondContact OG-OE1 3.35Å; E810-V812 VanDerWaalsContact C-N 3.35Å; E810-H814 WeakPolarHBondContact O-CB 3.25Å; E810-H814 PolarHBondContact O-N 3.09Å
811	Q	87.5	Confident	87.7	Confident	18 Å²	18	81.3 Å²	81.3	8%	0.084	42%	0.423	C	S	.	.	H	α-helix	trans	-70.1	-33.6	-179.9	-170.1	168.5	-32.1	0	0	111.6	F791 L795 S807 I808 Q809 Y815	F791-Q811 HydrophobicContact CE1-CG 4.26Å; F791-Q811 WeakPolarHBondContact CE1-O 3.46Å; F791-Q811 HydrophobicContact CZ-CG 4.26Å; L795-Q811 HydrophobicContact CD1-CB 4.28Å; L795-Q811 HydrophobicContact CD1-CG 4.01Å; S807-Q811 WeakPolarHBondContact O-CB 3.4Å; S807-Q811 PolarHBondContact O-N 3.47Å; S807-Q811 VanDerWaalsContact O-N 3.16Å; I808-Q811 PolarHBondContact O-N 3.48Å; I808-Q811 VanDerWaalsContact O-N 3.16Å; Q809-Q811 VanDerWaalsContact C-N 3.26Å; Q809-Q811 PolarHBondContact O-N 3.17Å; Q811-Y815 WeakPolarHBondContact O-CB 3.29Å; Q811-Y815 PolarHBondContact O-N 3.48Å
812	V	91.8	Very high	88.2	Confident	5 Å²	5	82.9 Å²	82.9	3%	0.03	42%	0.418	C	S	.	.	H	α-helix	trans	-73.1	-43.4	173.8	172.6	0	0	0	0	111.4	V788 F791 Q792 L795 I808 Q809 E810 Y815 R816	V788-V812 HydrophobicContact CG1-CG1 3.52Å; F791-V812 HydrophobicContact CD1-CG2 4.14Å; F791-V812 HydrophobicContact CE1-CG2 4.41Å; Q792-V812 HydrophobicContact CB-CG1 4.26Å; Q792-V812 HydrophobicContact CB-CG2 3.8Å; Q792-V812 HydrophobicContact CG-CG2 4.15Å; L795-V812 HydrophobicContact CD1-CG2 3.93Å; I808-V812 HydrophobicContact CG2-CG2 4.35Å; I808-V812 VanDerWaalsContact O-CG2 3.31Å; I808-V812 WeakPolarHBondContact O-CG2 3.41Å; I808-V812 PolarHBondContact O-N 2.89Å; Q809-V812 PolarHBondContact O-N 3.14Å; Q809-V812 VanDerWaalsContact O-N 3.1Å; E810-V812 VanDerWaalsContact C-N 3.35Å; V812-Y815 CarbonylContact O-C 3.6Å; V812-Y815 WeakPolarHBondContact O-CA 3.33Å; V812-Y815 WeakPolarHBondContact O-CB 3.06Å; V812-Y815 PolarHBondContact O-N 3.35Å; V812-Y815 VanDerWaalsContact O-N 3.1Å; V812-R816 PolarHBondContact O-N 3.3Å
813	E	89.1	Confident	88.6	Confident	91 Å²	91	78.7 Å²	78.7	43%	0.425	40%	0.4	S	S	.	.	H	α-helix	trans	-66.4	-45.7	178.2	-73.5	173	-178.7	0	0	111.9	Q809 Y815 R816 D817	Q809-E813 WeakPolarHBondContact CG-OE1 3.46Å; Q809-E813 PolarHBondContact NE2-OE1 3.02Å; Q809-E813 WeakPolarHBondContact O-CB 3.28Å; Q809-E813 WeakPolarHBondContact O-CG 3.2Å; Q809-E813 PolarHBondContact O-N 3.36Å; E813-Y815 PolarHBondContact O-N 3.09Å; E813-R816 WeakPolarHBondContact O-CB 2.87Å; E813-R816 PolarHBondContact O-N 3.08Å; E813-D817 PolarHBondContact O-N 2.91Å
814	H	90.9	Very high	88.6	Confident	98 Å²	98	81.2 Å²	81.2	45%	0.454	41%	0.412	S	S	.	.	H	α-helix	trans	-58.3	-30.7	171.1	-175.9	-27.7	0	0	0	111.6	E810 K818	E810-H814 WeakPolarHBondContact O-CB 3.25Å; E810-H814 PolarHBondContact O-N 3.09Å; H814-K818 VanDerWaalsContact O-CB 3.28Å; H814-K818 WeakPolarHBondContact O-CB 3.44Å; H814-K818 PolarHBondContact O-N 3.17Å
815	Y	93	Very high	89.3	Confident	63 Å²	63	80.6 Å²	80.6	25%	0.247	40%	0.398	C	S	.	.	H	α-helix	trans	-73.7	-41.4	174.2	-176.2	-105.1	0	0	0	112.3	K787 V788 F791 Q811 V812 E813 K818 L819	K787-Y815 HydrophobicContact CB-CE1 4.5Å; K787-Y815 WeakPolarHBondContact O-CE1 3.34Å; V788-Y815 HydrophobicContact CG2-CD1 4.4Å; F791-Y815 HydrophobicContact CB-CD1 3.54Å; F791-Y815 HydrophobicContact CB-CE1 3.45Å; F791-Y815 VanDerWaalsContact CB-CE1 3.45Å; F791-Y815 HydrophobicContact CB-CG 4.31Å; F791-Y815 AromaticContact CD1-CD1 3.59Å; F791-Y815 HydrophobicContact CD1-CD1 3.59Å; F791-Y815 HydrophobicContact CD1-CD2 4.36Å; F791-Y815 HydrophobicContact CD1-CE1 4.31Å; F791-Y815 AromaticContact CD1-CG 3.62Å; F791-Y815 HydrophobicContact CD1-CG 3.62Å; F791-Y815 AromaticContact CD2-CD1 4Å; F791-Y815 HydrophobicContact CD2-CD1 4Å; F791-Y815 AromaticContact CD2-CD2 3.95Å; F791-Y815 HydrophobicContact CD2-CD2 3.95Å; F791-Y815 HydrophobicContact CD2-CE1 4.02Å; F791-Y815 AromaticContact CD2-CE2 3.98Å; F791-Y815 HydrophobicContact CD2-CE2 3.98Å; F791-Y815 AromaticContact CD2-CG 3.96Å; F791-Y815 HydrophobicContact CD2-CG 3.96Å; F791-Y815 HydrophobicContact CE1-CD1 4.25Å; F791-Y815 HydrophobicContact CE1-CD2 4.33Å; F791-Y815 AromaticContact CE1-CG 3.8Å; F791-Y815 HydrophobicContact CE1-CG 3.8Å; F791-Y815 AromaticContact CE2-CD2 3.9Å; F791-Y815 HydrophobicContact CE2-CD2 3.9Å; F791-Y815 HydrophobicContact CE2-CE2 4.21Å; F791-Y815 HydrophobicContact CE2-CG 4.12Å; F791-Y815 AromaticContact CG-CD1 3.43Å; F791-Y815 HydrophobicContact CG-CD1 3.43Å; F791-Y815 VanDerWaalsContact CG-CD1 3.43Å; F791-Y815 HydrophobicContact CG-CD2 4.18Å; F791-Y815 AromaticContact CG-CE1 3.68Å; F791-Y815 HydrophobicContact CG-CE1 3.68Å; F791-Y815 HydrophobicContact CG-CE2 4.4Å; F791-Y815 AromaticContact CG-CG 3.7Å; F791-Y815 HydrophobicContact CG-CG 3.7Å; F791-Y815 HydrophobicContact CZ-CD2 4.1Å; F791-Y815 HydrophobicContact CZ-CG 4.04Å; Q811-Y815 WeakPolarHBondContact O-CB 3.29Å; Q811-Y815 PolarHBondContact O-N 3.48Å; V812-Y815 CarbonylContact O-C 3.6Å; V812-Y815 WeakPolarHBondContact O-CA 3.33Å; V812-Y815 WeakPolarHBondContact O-CB 3.06Å; V812-Y815 PolarHBondContact O-N 3.35Å; V812-Y815 VanDerWaalsContact O-N 3.1Å; E813-Y815 PolarHBondContact O-N 3.09Å; Y815-K818 PolarHBondContact O-N 3.1Å; Y815-L819 HydrophobicContact CD1-CD1 4.05Å; Y815-L819 HydrophobicContact CE1-CD1 3.55Å; Y815-L819 HydrophobicContact CE1-CG 4.22Å; Y815-L819 WeakPolarHBondContact O-CG 3.43Å; Y815-L819 PolarHBondContact O-N 2.98Å
816	R	93	Very high	89.8	Confident	103 Å²	103	80.7 Å²	80.7	39%	0.389	37%	0.373	S	S	.	.	H	α-helix	trans	-58	-50.9	173.7	-174.5	171.9	-167	-154	4.6	112	E785 V788 V812 E813 K818 L819 L820	E785-R816 VanDerWaalsContact CD-NH2 3.27Å; E785-R816 IonicContact OE1-CZ 3.98Å; E785-R816 VanDerWaalsContact OE1-CZ 3.31Å; E785-R816 IonicContact OE1-NE 3.21Å; E785-R816 PolarHBondContact OE1-NE 3.15Å; E785-R816 IonicContact OE1-NH2 3.64Å; E785-R816 PolarHBondContact OE1-NH2 3.19Å; E785-R816 IonicContact OE2-CZ 2.84Å; E785-R816 IonicContact OE2-NE 3.02Å; E785-R816 PolarHBondContact OE2-NE 3.38Å; E785-R816 VanDerWaalsContact OE2-NE 3.08Å; E785-R816 IonicContact OE2-NH2 2.83Å; E785-R816 PolarHBondContact OE2-NH2 3.23Å; V788-R816 HydrophobicContact CG1-CB 4.21Å; V788-R816 HydrophobicContact CG2-CB 3.61Å; V788-R816 HydrophobicContact CG2-CG 3.81Å; V812-R816 PolarHBondContact O-N 3.3Å; E813-R816 WeakPolarHBondContact O-CB 2.87Å; E813-R816 PolarHBondContact O-N 3.08Å; R816-K818 VanDerWaalsContact C-N 3.31Å; R816-K818 PolarHBondContact O-N 3.33Å; R816-L819 WeakPolarHBondContact O-CB 3.21Å; R816-L819 PolarHBondContact O-N 2.84Å; R816-L819 VanDerWaalsContact O-N 3.11Å; R816-L820 HydrophobicContact CG-CD1 4.13Å; R816-L820 WeakPolarHBondContact O-CG 3.43Å; R816-L820 PolarHBondContact O-N 2.98Å
817	D	91.6	Very high	90	Very high	103 Å²	103	80.5 Å²	80.5	55%	0.551	37%	0.373	S	S	*	.	H	α-helix	trans	-60.9	-40	177.4	-78.7	-21.1	0	0	0	112.4	E813 L819 L820 Q821	E813-D817 PolarHBondContact O-N 2.91Å; D817-L819 VanDerWaalsContact C-N 3.29Å; D817-L819 PolarHBondContact O-N 3.29Å; D817-L820 PolarHBondContact O-N 3.09Å; D817-Q821 WeakPolarHBondContact O-CB 3.34Å; D817-Q821 PolarHBondContact O-N 2.6Å
818	K	93.5	Very high	89.9	Confident	143 Å²	143	85.7 Å²	85.7	62%	0.622	39%	0.39	S	S	*	.	H	α-helix	trans	-65.3	-31.2	176.8	-170.9	171.2	-175.8	171	0	112.8	H814 Y815 R816 K822	H814-K818 VanDerWaalsContact O-CB 3.28Å; H814-K818 WeakPolarHBondContact O-CB 3.44Å; H814-K818 PolarHBondContact O-N 3.17Å; Y815-K818 PolarHBondContact O-N 3.1Å; R816-K818 VanDerWaalsContact C-N 3.31Å; R816-K818 PolarHBondContact O-N 3.33Å; K818-K822 WeakPolarHBondContact O-CB 3.44Å; K818-K822 PolarHBondContact O-N 3.26Å
819	L	92.4	Very high	90	Very high	31 Å²	31	86.9 Å²	86.9	16%	0.162	40%	0.397	C	S	.	.	H	α-helix	trans	-73.9	-45.1	171.8	-70.3	177.8	0	0	0	111.7	I784 K787 V788 Y815 R816 D817 Q821 K822 E823	I784-L819 HydrophobicContact CG1-CB 4.32Å; I784-L819 HydrophobicContact CG2-CB 3.87Å; I784-L819 HydrophobicContact CG2-CD1 4.18Å; K787-L819 HydrophobicContact CB-CD1 3.67Å; K787-L819 HydrophobicContact CD-CD1 4.27Å; V788-L819 HydrophobicContact CG2-CD1 4.14Å; Y815-L819 HydrophobicContact CD1-CD1 4.05Å; Y815-L819 HydrophobicContact CE1-CD1 3.55Å; Y815-L819 HydrophobicContact CE1-CG 4.22Å; Y815-L819 WeakPolarHBondContact O-CG 3.43Å; Y815-L819 PolarHBondContact O-N 2.98Å; R816-L819 WeakPolarHBondContact O-CB 3.21Å; R816-L819 PolarHBondContact O-N 2.84Å; R816-L819 VanDerWaalsContact O-N 3.11Å; D817-L819 VanDerWaalsContact C-N 3.29Å; D817-L819 PolarHBondContact O-N 3.29Å; L819-Q821 PolarHBondContact O-N 2.93Å; L819-K822 PolarHBondContact O-N 3.16Å; L819-E823 PolarHBondContact O-N 2.76Å
820	L	90.1	Very high	89.8	Confident	43 Å²	43	86.4 Å²	86.4	23%	0.225	39%	0.394	C	S	.	.	H	α-helix	trans	-60.3	-42.9	177.6	-71.1	168.1	0	0	0	112.1	L781 I784 R816 D817 E823 K824	L781-L820 HydrophobicContact CD2-CD2 3.83Å; I784-L820 HydrophobicContact CD1-CD2 3.93Å; I784-L820 HydrophobicContact CG2-CD2 4.34Å; I784-L820 HydrophobicContact CG2-CG 4.37Å; R816-L820 HydrophobicContact CG-CD1 4.13Å; R816-L820 WeakPolarHBondContact O-CG 3.43Å; R816-L820 PolarHBondContact O-N 2.98Å; D817-L820 PolarHBondContact O-N 3.09Å; L820-E823 PolarHBondContact O-N 3.23Å; L820-K824 WeakPolarHBondContact O-CG 3.47Å; L820-K824 PolarHBondContact O-N 2.98Å; L820-K824 VanDerWaalsContact O-N 3.08Å
821	Q	89.7	Confident	89.6	Confident	120 Å²	120	88.2 Å²	88.2	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-66.4	-39.2	176.9	-175.3	164.5	-16.4	0	0	112	D817 L819 E823 K824 E825	D817-Q821 WeakPolarHBondContact O-CB 3.34Å; D817-Q821 PolarHBondContact O-N 2.6Å; L819-Q821 PolarHBondContact O-N 2.93Å; Q821-E823 PolarHBondContact O-N 2.89Å; Q821-K824 PolarHBondContact O-N 3.46Å; Q821-E825 WeakPolarHBondContact O-CG 3.36Å; Q821-E825 PolarHBondContact O-N 2.96Å
822	K	91.8	Very high	89.5	Confident	148 Å²	148	92.4 Å²	92.4	64%	0.643	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-38.4	177	-172.9	178.1	179.7	-176.8	0	112.8	K818 L819 K826	K818-K822 WeakPolarHBondContact O-CB 3.44Å; K818-K822 PolarHBondContact O-N 3.26Å; L819-K822 PolarHBondContact O-N 3.16Å; K822-K826 PolarHBondContact O-N 3.46Å; K822-K826 VanDerWaalsContact O-N 3.1Å
823	E	92.4	Very high	89.3	Confident	38 Å²	38	97.8 Å²	97.8	18%	0.178	44%	0.44	C	S	.	.	H	α-helix	trans	-74.4	-32.7	176.4	-166.3	60.9	-153.2	0	0	111.9	K780 I784 L819 L820 Q821 K826 E827	K780-E823 HydrophobicContact CD-CG 4.21Å; K780-E823 VanDerWaalsContact CD-OE1 3.3Å; K780-E823 WeakPolarHBondContact CD-OE1 3.38Å; K780-E823 WeakPolarHBondContact CE-OE1 3.35Å; K780-E823 IonicContact NZ-OE1 3.2Å; K780-E823 PolarHBondContact NZ-OE1 3.01Å; I784-E823 HydrophobicContact CD1-CB 4.18Å; L819-E823 PolarHBondContact O-N 2.76Å; L820-E823 PolarHBondContact O-N 3.23Å; Q821-E823 PolarHBondContact O-N 2.89Å; E823-K826 VanDerWaalsContact CD-NZ 3.29Å; E823-K826 PolarHBondContact O-N 3.44Å; E823-K826 IonicContact OE1-NZ 3.89Å; E823-K826 PolarHBondContact OE1-NZ 2.89Å; E823-K826 WeakPolarHBondContact OE2-CD 3.41Å; E823-K826 IonicContact OE2-NZ 3.7Å; E823-K826 PolarHBondContact OE2-NZ 3.16Å; E823-E827 PolarHBondContact O-N 3.17Å
824	K	87.1	Confident	89.1	Confident	145 Å²	145	98.2 Å²	98.2	63%	0.63	44%	0.442	S	S	*	.	H	α-helix	trans	-60.8	-42.5	169.8	-73.8	169.6	-179.4	173.6	0	112.2	L820 Q821 K826 K828	L820-K824 WeakPolarHBondContact O-CG 3.47Å; L820-K824 PolarHBondContact O-N 2.98Å; L820-K824 VanDerWaalsContact O-N 3.08Å; Q821-K824 PolarHBondContact O-N 3.46Å; K824-K826 VanDerWaalsContact C-N 3.34Å; K824-K828 WeakPolarHBondContact O-CB 3.47Å; K824-K828 PolarHBondContact O-N 3.45Å; K824-K828 VanDerWaalsContact O-N 3.09Å
825	E	89.6	Confident	88.8	Confident	117 Å²	117	102.2 Å²	102.2	55%	0.547	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-38.8	174.6	-74.4	173.8	-177	0	0	112.1	Q821 K828 L829	Q821-E825 WeakPolarHBondContact O-CG 3.36Å; Q821-E825 PolarHBondContact O-N 2.96Å; E825-K828 PolarHBondContact O-N 2.7Å; E825-L829 PolarHBondContact O-N 2.8Å; E825-L829 VanDerWaalsContact O-N 3.09Å
826	K	89.1	Confident	88.6	Confident	87 Å²	87	105.2 Å²	105.2	38%	0.378	47%	0.469	S	S	.	.	H	α-helix	trans	-67.4	-46.2	176	178.8	174	149.5	-128	0	112.7	K822 E823 K824 K828 L829 E830	K822-K826 PolarHBondContact O-N 3.46Å; K822-K826 VanDerWaalsContact O-N 3.1Å; E823-K826 VanDerWaalsContact CD-NZ 3.29Å; E823-K826 PolarHBondContact O-N 3.44Å; E823-K826 IonicContact OE1-NZ 3.89Å; E823-K826 PolarHBondContact OE1-NZ 2.89Å; E823-K826 WeakPolarHBondContact OE2-CD 3.41Å; E823-K826 IonicContact OE2-NZ 3.7Å; E823-K826 PolarHBondContact OE2-NZ 3.16Å; K824-K826 VanDerWaalsContact C-N 3.34Å; K826-K828 VanDerWaalsContact C-N 3.26Å; K826-K828 PolarHBondContact O-N 3.18Å; K826-L829 PolarHBondContact O-N 3.28Å; K826-L829 VanDerWaalsContact O-N 3.14Å; K826-E830 WeakPolarHBondContact CE-OE1 3.47Å; K826-E830 HydrophobicContact CG-CG 4.49Å; K826-E830 WeakPolarHBondContact CG-OE1 3.49Å; K826-E830 WeakPolarHBondContact O-CG 3.44Å; K826-E830 PolarHBondContact O-N 2.99Å
827	E	87.4	Confident	88.2	Confident	54 Å²	54	106.3 Å²	106.3	25%	0.252	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-38	175.5	-172.7	-175.2	-168.4	0	0	111.2	K777 E823 E830 R831	K777-E827 WeakPolarHBondContact CE-OE1 3.47Å; K777-E827 IonicContact NZ-OE1 2.7Å; E823-E827 PolarHBondContact O-N 3.17Å; E827-E830 PolarHBondContact O-N 2.84Å; E827-R831 WeakPolarHBondContact O-CB 3.44Å; E827-R831 WeakPolarHBondContact O-CG 3.38Å; E827-R831 PolarHBondContact O-N 3.39Å; E827-R831 IonicContact OE1-CZ 2.74Å; E827-R831 VanDerWaalsContact OE1-CZ 3.23Å; E827-R831 IonicContact OE1-NE 3.88Å; E827-R831 IonicContact OE1-NH1 2.66Å; E827-R831 IonicContact OE1-NH2 3.63Å; E827-R831 PolarHBondContact OE1-NH2 3.09Å
828	K	86.5	Confident	87.9	Confident	149 Å²	149	106.4 Å²	106.4	65%	0.648	47%	0.473	S	S	*	.	H	α-helix	trans	-60.7	-48.2	173.6	-173.8	-173.4	175.1	-169.8	0	111.6	K824 E825 K826 R831 E832	K824-K828 WeakPolarHBondContact O-CB 3.47Å; K824-K828 PolarHBondContact O-N 3.45Å; K824-K828 VanDerWaalsContact O-N 3.09Å; E825-K828 PolarHBondContact O-N 2.7Å; K826-K828 VanDerWaalsContact C-N 3.26Å; K826-K828 PolarHBondContact O-N 3.18Å; K828-R831 PolarHBondContact O-N 2.64Å; K828-E832 WeakPolarHBondContact O-CB 3.48Å; K828-E832 PolarHBondContact O-N 3.04Å
829	L	87.1	Confident	87.6	Confident	84 Å²	84	106.6 Å²	106.6	44%	0.44	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-34.1	179.7	-174.2	67.6	0	0	0	112.9	E825 K826 E832 K833	E825-L829 PolarHBondContact O-N 2.8Å; E825-L829 VanDerWaalsContact O-N 3.09Å; K826-L829 PolarHBondContact O-N 3.28Å; K826-L829 VanDerWaalsContact O-N 3.14Å; L829-E832 PolarHBondContact O-N 3.11Å; L829-K833 WeakPolarHBondContact O-CG 3.26Å; L829-K833 PolarHBondContact O-N 3.26Å
830	E	84.1	Confident	87.4	Confident	88 Å²	88	112.6 Å²	112.6	41%	0.411	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-44.6	174.1	-74.6	168.9	174.4	0	0	110.8	K780 K826 E827 E832 K833 E834	K780-E830 IonicContact NZ-OE2 2.85Å; K826-E830 WeakPolarHBondContact CE-OE1 3.47Å; K826-E830 HydrophobicContact CG-CG 4.49Å; K826-E830 WeakPolarHBondContact CG-OE1 3.49Å; K826-E830 WeakPolarHBondContact O-CG 3.44Å; K826-E830 PolarHBondContact O-N 2.99Å; E827-E830 PolarHBondContact O-N 2.84Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E830-E832 PolarHBondContact O-N 3.41Å; E830-K833 PolarHBondContact O-N 3.42Å; E830-E834 PolarHBondContact O-N 3Å
831	R	83	Confident	87.1	Confident	125 Å²	125	115.6 Å²	115.6	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-64.4	-34.7	174.3	-73.1	174.2	176.2	177.4	2.6	113.7	E827 K828 E834 R835	E827-R831 WeakPolarHBondContact O-CB 3.44Å; E827-R831 WeakPolarHBondContact O-CG 3.38Å; E827-R831 PolarHBondContact O-N 3.39Å; E827-R831 IonicContact OE1-CZ 2.74Å; E827-R831 VanDerWaalsContact OE1-CZ 3.23Å; E827-R831 IonicContact OE1-NE 3.88Å; E827-R831 IonicContact OE1-NH1 2.66Å; E827-R831 IonicContact OE1-NH2 3.63Å; E827-R831 PolarHBondContact OE1-NH2 3.09Å; K828-R831 PolarHBondContact O-N 2.64Å; R831-E834 PolarHBondContact O-N 3.03Å; R831-R835 WeakPolarHBondContact O-CG 3.45Å; R831-R835 PolarHBondContact O-N 3.43Å; R831-R835 VanDerWaalsContact O-N 3.14Å
832	E	87.2	Confident	87	Confident	105 Å²	105	116.6 Å²	116.6	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-49.4	178.1	-167.8	157.4	-140.3	0	0	110.8	K828 L829 E830 E834 R835 E836	K828-E832 WeakPolarHBondContact O-CB 3.48Å; K828-E832 PolarHBondContact O-N 3.04Å; L829-E832 PolarHBondContact O-N 3.11Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E830-E832 PolarHBondContact O-N 3.41Å; E832-E834 VanDerWaalsContact C-N 3.31Å; E832-E834 PolarHBondContact O-N 3.26Å; E832-R835 WeakPolarHBondContact O-CB 3.48Å; E832-R835 PolarHBondContact O-N 3.43Å; E832-R835 VanDerWaalsContact O-N 3.12Å; E832-E836 PolarHBondContact O-N 2.94Å
833	K	86.4	Confident	86.6	Confident	119 Å²	119	112.4 Å²	112.4	52%	0.517	51%	0.509	S	S	.	.	H	α-helix	trans	-60.5	-36.5	173.8	-69.8	168	-178.9	173.1	0	113.3	L829 E830 R835 E836 K837	L829-K833 WeakPolarHBondContact O-CG 3.26Å; L829-K833 PolarHBondContact O-N 3.26Å; E830-K833 PolarHBondContact O-N 3.42Å; K833-R835 VanDerWaalsContact C-N 3.32Å; K833-E836 PolarHBondContact O-N 2.94Å; K833-K837 WeakPolarHBondContact O-CB 3.42Å; K833-K837 PolarHBondContact O-N 3.41Å
834	E	84.5	Confident	86.3	Confident	99 Å²	99	115.3 Å²	115.3	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-67.9	-33.2	177.4	-152.9	-141.5	-176.2	0	0	112.1	E830 R831 E832 K838	E830-E834 PolarHBondContact O-N 3Å; R831-E834 PolarHBondContact O-N 3.03Å; E832-E834 VanDerWaalsContact C-N 3.31Å; E832-E834 PolarHBondContact O-N 3.26Å; E834-K838 VanDerWaalsContact CD-CE 3.43Å; E834-K838 VanDerWaalsContact O-CG 3.31Å; E834-K838 WeakPolarHBondContact O-CG 3.25Å; E834-K838 PolarHBondContact O-N 3.23Å; E834-K838 VanDerWaalsContact O-N 3.11Å; E834-K838 WeakPolarHBondContact OE1-CE 3.28Å; E834-K838 IonicContact OE1-NZ 2.9Å; E834-K838 PolarHBondContact OE1-NZ 2.89Å; E834-K838 IonicContact OE2-NZ 2.67Å; E834-K838 PolarHBondContact OE2-NZ 2.97Å
835	R	85.3	Confident	86	Confident	182 Å²	182	110.7 Å²	110.7	69%	0.687	51%	0.511	S	S	*	.	H	α-helix	trans	-68	-50	172.2	-71.9	171.4	175.6	-157.7	-2.9	111.6	R831 E832 K833 K837 K838 E839	R831-R835 WeakPolarHBondContact O-CG 3.45Å; R831-R835 PolarHBondContact O-N 3.43Å; R831-R835 VanDerWaalsContact O-N 3.14Å; E832-R835 WeakPolarHBondContact O-CB 3.48Å; E832-R835 PolarHBondContact O-N 3.43Å; E832-R835 VanDerWaalsContact O-N 3.12Å; K833-R835 VanDerWaalsContact C-N 3.32Å; R835-K837 VanDerWaalsContact C-N 3.26Å; R835-K837 PolarHBondContact O-N 3.47Å; R835-K838 PolarHBondContact O-N 2.96Å; R835-K838 VanDerWaalsContact O-N 3.09Å; R835-E839 PolarHBondContact O-N 3.45Å
836	E	87.8	Confident	85.8	Confident	126 Å²	126	112.9 Å²	112.9	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-54.4	-43	176	-68.1	-176.7	141.2	0	0	111.8	E832 K833 E839 K840	E832-E836 PolarHBondContact O-N 2.94Å; K833-E836 PolarHBondContact O-N 2.94Å; E836-E839 PolarHBondContact O-N 3.16Å; E836-K840 WeakPolarHBondContact O-CB 3.41Å; E836-K840 PolarHBondContact O-N 2.86Å
837	K	86.7	Confident	85.5	Confident	126 Å²	126	114.7 Å²	114.7	55%	0.548	53%	0.528	S	S	.	.	H	α-helix	trans	-60.9	-48.4	175.7	-177.7	-179.3	168.5	-174.4	0	111.9	K833 R835 E839 K840 E841	K833-K837 WeakPolarHBondContact O-CB 3.42Å; K833-K837 PolarHBondContact O-N 3.41Å; R835-K837 VanDerWaalsContact C-N 3.26Å; R835-K837 PolarHBondContact O-N 3.47Å; K837-E839 VanDerWaalsContact C-N 3.34Å; K837-E839 PolarHBondContact O-N 3.03Å; K837-K840 PolarHBondContact O-N 3.45Å; K837-E841 WeakPolarHBondContact CE-OE1 3.42Å; K837-E841 IonicContact NZ-OE1 2.69Å; K837-E841 WeakPolarHBondContact O-CG 3.34Å; K837-E841 PolarHBondContact O-N 3.14Å
838	K	84.8	Confident	85	Confident	106 Å²	106	118.2 Å²	118.2	46%	0.461	54%	0.542	S	S	.	.	H	α-helix	trans	-63.8	-36.4	179.2	-74.9	168.6	-178.6	170.3	0	112.5	E834 R835 K842	E834-K838 VanDerWaalsContact CD-CE 3.43Å; E834-K838 VanDerWaalsContact O-CG 3.31Å; E834-K838 WeakPolarHBondContact O-CG 3.25Å; E834-K838 PolarHBondContact O-N 3.23Å; E834-K838 VanDerWaalsContact O-N 3.11Å; E834-K838 WeakPolarHBondContact OE1-CE 3.28Å; E834-K838 IonicContact OE1-NZ 2.9Å; E834-K838 PolarHBondContact OE1-NZ 2.89Å; E834-K838 IonicContact OE2-NZ 2.67Å; E834-K838 PolarHBondContact OE2-NZ 2.97Å; R835-K838 PolarHBondContact O-N 2.96Å; R835-K838 VanDerWaalsContact O-N 3.09Å; K838-K842 VanDerWaalsContact O-CB 3.27Å; K838-K842 WeakPolarHBondContact O-CB 3.41Å; K838-K842 PolarHBondContact O-N 2.76Å
839	E	87.1	Confident	84.6	Confident	146 Å²	146	117.2 Å²	117.2	68%	0.682	54%	0.54	S	S	*	.	H	α-helix	trans	-68.1	-41.3	174	-69.3	-164.5	145.6	0	0	112.1	R835 E836 K837 K842 A843	R835-E839 PolarHBondContact O-N 3.45Å; E836-E839 PolarHBondContact O-N 3.16Å; K837-E839 VanDerWaalsContact C-N 3.34Å; K837-E839 PolarHBondContact O-N 3.03Å; E839-K842 PolarHBondContact O-N 3.03Å; E839-A843 WeakPolarHBondContact O-CB 3.42Å; E839-A843 PolarHBondContact O-N 3.05Å
840	K	86.8	Confident	84.1	Confident	157 Å²	157	118.6 Å²	118.6	68%	0.683	55%	0.547	S	S	*	.	H	α-helix	trans	-62.5	-44.6	175.6	-170.9	172.5	-177.5	174.4	0	112.4	E836 K837 K842 A843 E844	E836-K840 WeakPolarHBondContact O-CB 3.41Å; E836-K840 PolarHBondContact O-N 2.86Å; K837-K840 PolarHBondContact O-N 3.45Å; K840-K842 VanDerWaalsContact C-N 3.35Å; K840-K842 PolarHBondContact O-N 2.75Å; K840-A843 PolarHBondContact O-N 3.04Å; K840-E844 PolarHBondContact O-N 3.19Å
841	E	84.9	Confident	83.6	Confident	106 Å²	106	121.4 Å²	121.4	50%	0.495	56%	0.558	S	S	.	*	H	α-helix	trans	-62.4	-40.6	174.5	-73.1	173.6	178.8	0	0	111.7	K837 E844 A845	K837-E841 WeakPolarHBondContact CE-OE1 3.42Å; K837-E841 IonicContact NZ-OE1 2.69Å; K837-E841 WeakPolarHBondContact O-CG 3.34Å; K837-E841 PolarHBondContact O-N 3.14Å; E841-E844 PolarHBondContact O-N 2.93Å; E841-A845 WeakPolarHBondContact O-CB 3.42Å; E841-A845 PolarHBondContact O-N 3.06Å
842	K	87.3	Confident	83	Confident	141 Å²	141	122.2 Å²	122.2	61%	0.613	57%	0.565	S	S	*	*	H	α-helix	trans	-68	-34.1	176.7	-171	175.6	-177.9	179.9	0	112.9	K838 E839 K840 R846	K838-K842 VanDerWaalsContact O-CB 3.27Å; K838-K842 WeakPolarHBondContact O-CB 3.41Å; K838-K842 PolarHBondContact O-N 2.76Å; E839-K842 PolarHBondContact O-N 3.03Å; K840-K842 VanDerWaalsContact C-N 3.35Å; K840-K842 PolarHBondContact O-N 2.75Å; K842-R846 PolarHBondContact O-N 3.48Å
843	A	84.6	Confident	82	Confident	60 Å²	60	123.4 Å²	123.4	50%	0.496	57%	0.57	S	S	.	*	H	α-helix	trans	-68.2	-44.1	172.7	0	0	0	0	0	111.6	E839 K840 A845 R846 L847	E839-A843 WeakPolarHBondContact O-CB 3.42Å; E839-A843 PolarHBondContact O-N 3.05Å; K840-A843 PolarHBondContact O-N 3.04Å; A843-A845 VanDerWaalsContact C-N 3.33Å; A843-A845 PolarHBondContact O-N 3.46Å; A843-R846 PolarHBondContact O-N 3.49Å; A843-L847 PolarHBondContact O-N 2.94Å
844	E	84.3	Confident	80.8	Confident	99 Å²	99	126.2 Å²	126.2	46%	0.463	58%	0.583	S	S	.	*	H	α-helix	trans	-65.3	-35.9	176.8	-160.8	-171	135.1	0	0	112.1	K840 E841 L847 K848	K840-E844 PolarHBondContact O-N 3.19Å; E841-E844 PolarHBondContact O-N 2.93Å; E844-L847 PolarHBondContact O-N 3.37Å; E844-K848 WeakPolarHBondContact O-CG 3.41Å; E844-K848 PolarHBondContact O-N 3.33Å; E844-K848 VanDerWaalsContact O-N 3.15Å; E844-K848 WeakPolarHBondContact OE1-CE 3.49Å; E844-K848 IonicContact OE1-NZ 3.6Å; E844-K848 PolarHBondContact OE1-NZ 3.13Å
845	A	82	Confident	79.4	Confident	49 Å²	49	128.5 Å²	128.5	41%	0.405	59%	0.593	S	S	.	*	H	α-helix	trans	-61.8	-48.9	173.2	0	0	0	0	0	112.1	E841 A843 L847 K848 E849	E841-A845 WeakPolarHBondContact O-CB 3.42Å; E841-A845 PolarHBondContact O-N 3.06Å; A843-A845 VanDerWaalsContact C-N 3.33Å; A843-A845 PolarHBondContact O-N 3.46Å; A845-L847 VanDerWaalsContact C-N 3.3Å; A845-L847 PolarHBondContact O-N 3.15Å; A845-K848 WeakPolarHBondContact O-CB 3.27Å; A845-K848 PolarHBondContact O-N 3.45Å; A845-K848 VanDerWaalsContact O-N 3.08Å; A845-E849 PolarHBondContact O-N 3Å
846	R	84.3	Confident	77.7	Confident	163 Å²	163	127.4 Å²	127.4	62%	0.615	59%	0.594	S	S	*	*	H	α-helix	trans	-59.4	-39.1	175.6	-79.7	178.9	161.7	-175.8	-7.4	112.7	K842 A843 K848 E849 L850	K842-R846 PolarHBondContact O-N 3.48Å; A843-R846 PolarHBondContact O-N 3.49Å; R846-K848 VanDerWaalsContact C-N 3.27Å; R846-K848 PolarHBondContact O-N 2.88Å; R846-E849 PolarHBondContact O-N 3.41Å; R846-L850 WeakPolarHBondContact O-CG 3.45Å; R846-L850 PolarHBondContact O-N 2.91Å
847	L	83.6	Confident	75.6	Confident	125 Å²	125	128.9 Å²	128.9	65%	0.654	61%	0.605	S	S	*	*	H	α-helix	trans	-63.5	-34.1	176.5	-161.4	75.3	0	0	0	112.1	A843 E844 A845 K851	A843-L847 PolarHBondContact O-N 2.94Å; E844-L847 PolarHBondContact O-N 3.37Å; A845-L847 VanDerWaalsContact C-N 3.3Å; A845-L847 PolarHBondContact O-N 3.15Å; L847-K851 WeakPolarHBondContact O-CB 3.42Å; L847-K851 PolarHBondContact O-N 3.25Å
848	K	77.6	Confident	73.5	Confident	128 Å²	128	129.8 Å²	129.8	56%	0.557	62%	0.616	S	S	*	*	H	α-helix	trans	-74	-36	175.6	-70.7	167.4	-174.8	167.3	0	112.7	E844 A845 R846 K852	E844-K848 WeakPolarHBondContact O-CG 3.41Å; E844-K848 PolarHBondContact O-N 3.33Å; E844-K848 VanDerWaalsContact O-N 3.15Å; E844-K848 WeakPolarHBondContact OE1-CE 3.49Å; E844-K848 IonicContact OE1-NZ 3.6Å; E844-K848 PolarHBondContact OE1-NZ 3.13Å; A845-K848 WeakPolarHBondContact O-CB 3.27Å; A845-K848 PolarHBondContact O-N 3.45Å; A845-K848 VanDerWaalsContact O-N 3.08Å; R846-K848 VanDerWaalsContact C-N 3.27Å; R846-K848 PolarHBondContact O-N 2.88Å; K848-K852 WeakPolarHBondContact O-CB 3.41Å; K848-K852 PolarHBondContact O-N 3.44Å; K848-K852 VanDerWaalsContact O-N 3.15Å
849	E	77.7	Confident	71	Confident	127 Å²	127	130.8 Å²	130.8	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-66.2	-50.4	174.1	-71.3	-174.4	129.5	0	0	111.6	A845 R846 K851 K852 E853	A845-E849 PolarHBondContact O-N 3Å; R846-E849 PolarHBondContact O-N 3.41Å; E849-K851 PolarHBondContact O-N 3.01Å; E849-K852 WeakPolarHBondContact O-CA 3.32Å; E849-K852 WeakPolarHBondContact O-CB 3.49Å; E849-K852 PolarHBondContact O-N 3.22Å; E849-E853 PolarHBondContact O-N 3.05Å
850	L	76.4	Confident	69	Low	113 Å²	113	129.8 Å²	129.8	59%	0.592	64%	0.638	S	S	*	*	H	α-helix	trans	-56.6	-36	177.3	-72.5	167.4	0	0	0	112.8	R846 K854	R846-L850 WeakPolarHBondContact O-CG 3.45Å; R846-L850 PolarHBondContact O-N 2.91Å; L850-K854 WeakPolarHBondContact O-CB 3.46Å; L850-K854 PolarHBondContact O-N 3.42Å
851	K	74.5	Confident	66.6	Low	147 Å²	147	129.4 Å²	129.4	64%	0.639	65%	0.649	S	S	*	*	H	α-helix	trans	-71.2	-32.7	175.4	-165.6	171.2	-176.4	178.3	0	112.9	L847 E849 E855	L847-K851 WeakPolarHBondContact O-CB 3.42Å; L847-K851 PolarHBondContact O-N 3.25Å; E849-K851 PolarHBondContact O-N 3.01Å; K851-E855 PolarHBondContact O-N 3.34Å
852	K	69.2	Low	64.1	Low	143 Å²	143	134.8 Å²	134.8	62%	0.622	66%	0.664	S	S	*	*	H	α-helix	trans	-79.9	-27.4	-179.3	-173.9	-177.2	179.5	-172.5	0	113.4	K848 E849	K848-K852 WeakPolarHBondContact O-CB 3.41Å; K848-K852 PolarHBondContact O-N 3.44Å; K848-K852 VanDerWaalsContact O-N 3.15Å; E849-K852 WeakPolarHBondContact O-CA 3.32Å; E849-K852 WeakPolarHBondContact O-CB 3.49Å; E849-K852 PolarHBondContact O-N 3.22Å
853	E	67.3	Low	61.5	Low	129 Å²	129	135.9 Å²	135.9	60%	0.603	67%	0.669	S	S	*	*	H	α-helix	trans	-72.7	-42.2	169.1	-67.7	-173.3	140.1	0	0	110.8	E849 E855 K856	E849-E853 PolarHBondContact O-N 3.05Å; E853-E855 PolarHBondContact O-N 2.96Å; E853-E855 VanDerWaalsContact O-N 3.14Å; E853-K856 WeakPolarHBondContact O-CB 3.48Å; E853-K856 PolarHBondContact O-N 3.49Å
854	K	61.1	Low	59.1	Low	179 Å²	179	140.7 Å²	140.7	78%	0.778	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-13.6	178.8	-157.2	169.6	-174.1	178.7	0	114.6	L850	L850-K854 WeakPolarHBondContact O-CB 3.46Å; L850-K854 PolarHBondContact O-N 3.42Å
855	E	53.5	Low	56.6	Low	147 Å²	147	147.9 Å²	147.9	69%	0.687	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-0.9	170.9	-76	177.2	174.4	0	0	113.6	K851 E853	K851-E855 PolarHBondContact O-N 3.34Å; E853-E855 PolarHBondContact O-N 2.96Å; E853-E855 VanDerWaalsContact O-N 3.14Å
856	K	50.8	Low	54.3	Low	159 Å²	159	154.2 Å²	154.2	69%	0.691	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	-25.5	-173.9	-84	-174.9	165.3	-166.4	0	116.8	E853	E853-K856 WeakPolarHBondContact O-CB 3.48Å; E853-K856 PolarHBondContact O-N 3.49Å
857	D	43.1	Very low	51.9	Low	156 Å²	156	155.6 Å²	155.6	83%	0.834	73%	0.728	S	S	*	*	S	Bend	trans	-78.1	-19	-176.1	-81.4	-31	0	0	0	113.6	T859	D857-T859 PolarHBondContact O-N 3.23Å
858	D	42.3	Very low	49.4	Very low	146 Å²	146	158.9 Å²	158.9	78%	0.781	74%	0.739	S	S	*	*	S	Bend	trans	-92.3	69.9	-178.1	-87.6	-49.8	0	0	0	113.5
859	T	32.8	Very low	47.5	Very low	127 Å²	127	160.3 Å²	160.3	78%	0.779	75%	0.748	S	S	*	*			trans	-167.5	128.6	146	4.2	0	0	0	0	114.5	D857	D857-T859 PolarHBondContact O-N 3.23Å
860	P	45.1	Very low	45.4	Very low	125 Å²	125	160.1 Å²	160.1	81%	0.812	76%	0.76	S	S	*	*			trans	-94.3	145.3	176.2	35.9	-33.8	0	0	0	113.3
861	T	36.3	Very low	43.2	Very low	149 Å²	149	158.2 Å²	158.2	91%	0.914	77%	0.768	S	S	*	*			trans	-128.7	157.8	168.4	54.8	0	0	0	0	112.3
862	R	31.5	Very low	41.3	Very low	219 Å²	219	156.8 Å²	156.8	83%	0.826	78%	0.777	S	S	*	*			trans	-148.5	153.6	-159.1	-179.8	-171.2	166.5	-172.9	-0.7	111.6
863	K	34.4	Very low	40.1	Very low	164 Å²	164	155.7 Å²	155.7	71%	0.713	78%	0.784	S	S	*	*			trans	87.9	112.1	179.2	-57.6	-178.1	-179.1	176.3	0	112.5
864	E	33.6	Very low	38.3	Very low	161 Å²	161	154.7 Å²	154.7	75%	0.752	79%	0.792	S	S	*	*				78.5	108.6	63.8	-76.3	-171.1	100.1	0	0	114.6
865	R	31.5	Very low	37.6	Very low	250 Å²	250	151.4 Å²	151.4	94%	0.943	79%	0.789	S	S	*	*				-156.8	157.4	117.4	-109.8	169.8	-177.2	-161.6	-1.4	113.2
866	K	34.1	Very low	36.5	Very low	181 Å²	181	152.1 Å²	152.1	79%	0.787	80%	0.796	S	S	*	*			trans	-73.2	169.3	-174.2	-60.6	168.4	-176.5	175.2	0	111.6
867	R	33.5	Very low	35.6	Very low	192 Å²	192	156 Å²	156	73%	0.725	81%	0.807	S	S	*	*			cis	-179.3	149.4	-21.8	-100.4	-175.4	178.8	-176.8	-2	104.9
868	H	32	Very low	35	Very low	194 Å²	194	153.4 Å²	153.4	90%	0.898	80%	0.8	S	S	*	*			trans	-151.8	161.7	137.6	-94.9	-76	0	0	0	109.2
869	H	36.3	Very low	34.4	Very low	159 Å²	159	150.3 Å²	150.3	74%	0.736	80%	0.803	S	S	*	*			trans	-113.1	172.9	177.1	-69.7	-19.3	0	0	0	108.4
870	S	34.9	Very low	34.3	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	80%	0.798	S	S	*	*			cis	-161.2	155.8	27.1	48.9	0	0	0	0	113.1
871	G	29.1	Very low	33.8	Very low	74 Å²	74	153.7 Å²	153.7	76%	0.763	80%	0.8	S	S	*	*			trans	163.8	112.2	168	0	0	0	0	0	112.9
872	S	34.4	Very low	33.5	Very low	117 Å²	117	158.6 Å²	158.6	82%	0.818	80%	0.802	S	S	*	*			trans	-150.5	170.1	-176.6	-50.3	0	0	0	0	109.2
873	P	44.3	Very low	33.4	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	80%	0.799	S	S	*	*			cis	-132.2	-178.3	-11.4	26.6	-2.6	0	0	0	115.4
874	S	30.3	Very low	33.1	Very low	109 Å²	109	155.5 Å²	155.5	76%	0.762	81%	0.809	S	S	*	*			trans	-22	164.5	153.2	-49.7	0	0	0	0	118.7
875	P	46.8	Very low	32.9	Very low	110 Å²	110	153 Å²	153	71%	0.714	81%	0.809	S	S	*	*			cis	-158.7	164.8	40.9	43.7	-20.8	0	0	0	123.4
876	L	30.1	Very low	32.7	Very low	161 Å²	161	146.4 Å²	146.4	84%	0.843	80%	0.802	S	S	*	*			trans	51.1	124.4	139.9	-66.1	167.9	0	0	0	123.8
877	R	32.1	Very low	32.4	Very low	241 Å²	241	141.9 Å²	141.9	91%	0.909	79%	0.792	S	S	*	*				161.5	170.8	124.4	-90.7	-178.1	175.1	-165.1	-1	111.4
878	S	29.6	Very low	32.6	Very low	101 Å²	101	138 Å²	138	71%	0.706	79%	0.792	S	S	*	*				-175.4	111.7	-64.6	53.3	0	0	0	0	111.3
879	G	30.2	Very low	32.5	Very low	82 Å²	82	133.8 Å²	133.8	85%	0.845	77%	0.768	S	S	*	*			trans	75.1	179.8	171.9	0	0	0	0	0	116.1
880	S	30.8	Very low	32.5	Very low	96 Å²	96	128.9 Å²	128.9	67%	0.671	75%	0.752	S	S	*	*			cis	-172.7	140.7	-13.9	-175.7	0	0	0	0	111.1
881	R	34	Very low	32.1	Very low	227 Å²	227	130.4 Å²	130.4	86%	0.857	75%	0.745	S	S	*	*			trans	67	125.8	164.9	-68.7	163.3	-169.8	-163.5	1.7	115.9
882	R	30.4	Very low	32.3	Very low	252 Å²	252	138 Å²	138	95%	0.951	75%	0.751	S	S	*	*				80.8	114.9	68.4	-78.8	-172.1	177	-175.4	-0.2	114.5
883	G	29.9	Very low	32.4	Very low	74 Å²	74	136.9 Å²	136.9	76%	0.763	74%	0.744	S	S	*	*			trans	142.1	94.6	170.6	0	0	0	0	0	109.3
884	R	27.8	Very low	31.6	Very low	244 Å²	244	140.5 Å²	140.5	92%	0.921	75%	0.75	S	S	*	*				75.9	128.7	75.3	-89.1	-164.3	170	-171.7	-2.9	115.2
885	S	28.2	Very low	31.6	Very low	108 Å²	108	145 Å²	145	76%	0.755	75%	0.75	S	S	*	*			trans	75.4	135.3	155.8	31.3	0	0	0	0	121.9
886	S	27	Very low	30.9	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	75%	0.753	S	S	*	*			trans	63.1	105.2	147.2	53.5	0	0	0	0	121.6
887	S	29.7	Very low	30.9	Very low	85 Å²	85	142.3 Å²	142.3	59%	0.594	74%	0.736	S	S	*	*			trans	-49.5	159.2	138.7	-31.8	0	0	0	0	111
888	P	36.3	Very low	30.7	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	73%	0.73	S	S	*	*			cis	-146.6	160.1	46.2	42.6	-23	0	0	0	118.8
889	R	30.3	Very low	30.6	Very low	107 Å²	107	141.4 Å²	141.4	40%	0.404	73%	0.734	S	S	.	*				32.6	150.6	124.8	-50.6	176.6	69.4	-149	17.3	121.5	S750 E751	S750-R889 VanDerWaalsContact CA-NH2 3.27Å; S750-R889 VanDerWaalsContact CB-NH1 3.34Å; S750-R889 VanDerWaalsContact CB-NH2 3.32Å; S750-R889 VanDerWaalsContact OG-CZ 3.29Å; S750-R889 PolarHBondContact OG-NH1 3.46Å; E751-R889 IonicContact OE2-CZ 3.4Å; E751-R889 IonicContact OE2-NE 3.79Å; E751-R889 IonicContact OE2-NH2 2.75Å; E751-R889 PolarHBondContact OE2-NH2 3.39Å
890	S	35.7	Very low	30.5	Very low	55 Å²	55	143.3 Å²	143.3	39%	0.385	73%	0.725	S	S	.	*			cis	176.5	138.5	-14.9	54.8	0	0	0	0	111	R749	R749-S890 PolarHBondContact NH2-O 3.22Å
891	E	27.9	Very low	30.4	Very low	154 Å²	154	148.5 Å²	148.5	72%	0.72	73%	0.73	S	S	*	*			trans	-156.1	146.8	163.3	-118.8	104.9	-110.4	0	0	108.2	R749	R749-E891 IonicContact CZ-OE1 3.05Å; R749-E891 IonicContact NH1-OE1 2.76Å; R749-E891 PolarHBondContact NH1-OE1 2.76Å; R749-E891 IonicContact NH2-OE1 3.61Å; R749-E891 PolarHBondContact NH2-OE1 3.06Å
892	R	33.3	Very low	30.3	Very low	233 Å²	233	142.8 Å²	142.8	88%	0.879	73%	0.725	S	S	*	*				61.9	134	54.1	-116.9	-157	179.2	178.6	1.2	112.6
893	S	35.4	Very low	30.2	Very low	95 Å²	95	141.3 Å²	141.3	66%	0.664	72%	0.721	S	S	*	*			cis	-142.3	179.5	-2.2	45.3	0	0	0	0	110.3
894	E	28.4	Very low	30.1	Very low	194 Å²	194	141.7 Å²	141.7	91%	0.907	71%	0.712	S	S	*	*				-168.2	-175.9	84.3	-93.2	-170.8	174.5	0	0	114.3
895	R	30.3	Very low	30.2	Very low	205 Å²	205	138.2 Å²	138.2	77%	0.774	70%	0.704	S	S	*	*			trans	-145.5	138.7	-159.6	160.3	-171.6	167.7	-170.1	-0.8	113.9	E897	R895-E897 IonicContact CZ-OE1 2.76Å; R895-E897 IonicContact NE-OE1 2.8Å; R895-E897 PolarHBondContact NE-OE1 3.18Å; R895-E897 IonicContact NH2-OE1 2.7Å; R895-E897 PolarHBondContact NH2-OE1 2.89Å
896	S	31.3	Very low	30.2	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	70%	0.696	S	S	*	*			trans	-176.3	143.2	146.8	16.5	0	0	0	0	108.4
897	E	29.4	Very low	30.3	Very low	102 Å²	102	138.8 Å²	138.8	48%	0.477	69%	0.694	S	S	.	*			cis	76.4	135.9	41.6	-65.8	-168.8	-133.8	0	0	113.5	R895	R895-E897 IonicContact CZ-OE1 2.76Å; R895-E897 IonicContact NE-OE1 2.8Å; R895-E897 PolarHBondContact NE-OE1 3.18Å; R895-E897 IonicContact NH2-OE1 2.7Å; R895-E897 PolarHBondContact NH2-OE1 2.89Å
898	R	29.1	Very low	30.3	Very low	210 Å²	210	139.5 Å²	139.5	79%	0.792	70%	0.699	S	S	*	*			cis	-166.2	-171.4	1.4	-126.5	176.8	177.3	155.2	-14.7	111.4
899	S	28.1	Very low	30.1	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	70%	0.697	S	S	*	*			trans	83	148.7	156.5	88	0	0	0	0	118.1
900	D	27.6	Very low	30.1	Very low	123 Å²	123	144.9 Å²	144.9	66%	0.658	72%	0.72	S	S	*	*			cis	-161.4	168.6	-20.6	-143.2	-10	0	0	0	114.1
901	R	28.9	Very low	29.8	Very low	204 Å²	204	147.1 Å²	147.1	77%	0.77	74%	0.735	S	S	*	*			trans	55.8	106.9	146.7	-78.1	163.7	-157.1	-140.7	-3.8	125.7
902	S	30.3	Very low	30	Very low	107 Å²	107	144.4 Å²	144.4	75%	0.748	73%	0.733	S	S	*	*				72.9	121.9	108	79.1	0	0	0	0	126.6
903	Y	29.1	Very low	30	Very low	222 Å²	222	140.8 Å²	140.8	87%	0.871	73%	0.726	S	S	*	*				91.8	136.4	125.6	-141.1	-115.1	0	0	0	125
904	S	28.2	Very low	29.8	Very low	82 Å²	82	143.8 Å²	143.8	57%	0.573	73%	0.727	S	S	*	*			trans	91.9	119.1	145.4	-115.8	0	0	0	0	126
905	K	29.5	Very low	29.7	Very low	171 Å²	171	139.8 Å²	139.8	74%	0.743	71%	0.712	S	S	*	*				66.8	125.7	122.6	-89.9	-178.5	164.1	-91.1	0	126.3
906	D	28.7	Very low	29.8	Very low	111 Å²	111	134.9 Å²	134.9	59%	0.594	71%	0.709	S	S	*	*				83.1	139.1	123.4	-81.8	-30.5	0	0	0	127
907	T	29.4	Very low	31.3	Very low	120 Å²	120	135.1 Å²	135.1	74%	0.736	71%	0.708	S	S	*	*			trans	80.6	109.2	140.8	49.6	0	0	0	0	125.2
908	S	28.5	Very low	31.3	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	73%	0.729	S	S	*	*				96.3	111.9	113.4	76.4	0	0	0	0	125.1
909	S	31.8	Very low	31.4	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	72%	0.72	S	S	*	*				82	154.9	120	82.3	0	0	0	0	124.3
910	R	30.3	Very low	31.7	Very low	234 Å²	234	135.7 Å²	135.7	88%	0.883	72%	0.719	S	S	*	*			trans	70.3	158.1	159.5	-72.6	172.4	172.2	168.2	-2.8	116.9
911	S	30.4	Very low	31.7	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	72%	0.721	S	S	*	*			cis	-177.5	159.8	-14.7	49.5	0	0	0	0	109
912	S	32.2	Very low	31.8	Very low	97 Å²	97	135.5 Å²	135.5	68%	0.678	72%	0.724	S	S	*	*			cis	179.6	169.1	-15.5	53.9	0	0	0	0	110.1
913	H	32.3	Very low	31.8	Very low	158 Å²	158	139.4 Å²	139.4	73%	0.731	73%	0.727	S	S	*	*			trans	73.1	124.4	161	-84.7	-1.2	0	0	0	118.3
914	K	31.9	Very low	32	Very low	158 Å²	158	134.3 Å²	134.3	69%	0.687	72%	0.724	S	S	*	*				108.4	162	88	-88.5	-179	162.2	-146.1	0	111.5
915	D	26.5	Very low	32.1	Very low	109 Å²	109	135.1 Å²	135.1	58%	0.583	73%	0.73	S	S	*	*			cis	-150.6	153.5	1.6	-137.3	-44.2	0	0	0	113.8
916	S	33.2	Very low	32.2	Very low	103 Å²	103	136.2 Å²	136.2	72%	0.72	74%	0.735	S	S	*	*			trans	60.4	160.6	144.6	-75.2	0	0	0	0	126
917	P	61.7	Low	32.3	Very low	116 Å²	116	142.5 Å²	142.5	75%	0.753	75%	0.75	S	S	*	*			trans	-132.9	179.1	-164.2	44	-26.9	0	0	0	116.7
918	R	30.6	Very low	32.5	Very low	240 Å²	240	142.1 Å²	142.1	91%	0.906	75%	0.752	S	S	*	*			trans	163.4	160.4	151.9	-95.2	175	168.3	174.8	-3	110.1
919	S	31.3	Very low	33.8	Very low	88 Å²	88	143 Å²	143	62%	0.615	76%	0.755	S	S	*	*			cis	-171.4	169.4	-21.1	51.8	0	0	0	0	112
920	S	32.5	Very low	33.7	Very low	108 Å²	108	143.9 Å²	143.9	76%	0.755	76%	0.762	S	S	*	*			trans	67.7	152.7	144.2	54.7	0	0	0	0	121.2
921	N	29.2	Very low	33.9	Very low	134 Å²	134	138.4 Å²	138.4	72%	0.717	76%	0.759	S	S	*	*			cis	-173.2	172.2	-24.8	-167.6	1.7	0	0	0	108.9
922	K	30.7	Very low	35.2	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.826	76%	0.761	S	S	*	*			trans	78.3	130.3	174.2	-51.6	174.3	-178.2	176.5	0	114.4
923	K	30.6	Very low	35.1	Very low	188 Å²	188	146.1 Å²	146.1	82%	0.817	77%	0.773	S	S	*	*			cis	104.8	140.8	17	-76.6	-167.8	171.4	-178.1	0	115.3
924	S	32.8	Very low	35.5	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	78%	0.776	S	S	*	*			trans	74.6	144.9	154.1	55.3	0	0	0	0	120.3
925	S	30.5	Very low	36.7	Very low	98 Å²	98	142 Å²	142	69%	0.685	77%	0.774	S	S	*	*			cis	-173.2	143.2	-20.8	52.1	0	0	0	0	114.6
926	K	32.1	Very low	37.1	Very low	194 Å²	194	146.2 Å²	146.2	84%	0.843	79%	0.787	S	S	*	*			trans	45.3	124	139.4	-58.2	173.1	178.9	-176.8	0	120.5
927	R	29.2	Very low	37.1	Very low	244 Å²	244	152.6 Å²	152.6	92%	0.921	80%	0.796	S	S	*	*				178.2	148.4	101.2	-100.7	178.9	169.8	164.9	-3.3	114.5
928	S	34.7	Very low	35.7	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	79%	0.79	S	S	*	*			trans	-125.8	-167.6	163.8	-30.7	0	0	0	0	107.1
929	P	56.4	Low	35.9	Very low	118 Å²	118	151.3 Å²	151.3	77%	0.766	79%	0.79	S	S	*	*			cis	-131	-169.3	-20.5	41.3	-24.7	0	0	0	112
930	S	29.2	Very low	35.9	Very low	116 Å²	116	157.5 Å²	157.5	81%	0.811	80%	0.8	S	S	*	*			trans	163.1	156.8	132.2	52.4	0	0	0	0	116.3
931	S	34.9	Very low	35.9	Very low	118 Å²	118	156.2 Å²	156.2	83%	0.825	79%	0.791	S	S	*	*			trans	-148.6	-174.1	167.6	-54.1	0	0	0	0	107
932	P	56.3	Low	36.1	Very low	117 Å²	117	160.7 Å²	160.7	76%	0.76	80%	0.798	S	S	*	*			cis	-130.9	-178.5	-17.2	42.3	-27.5	0	0	0	113.7
933	R	30.6	Very low	36.3	Very low	245 Å²	245	156.9 Å²	156.9	93%	0.925	80%	0.795	S	S	*	*			trans	-175.5	162.5	145.6	-108.6	167.7	-178	-162.1	-0.4	115.7
934	T	41	Very low	36.3	Very low	130 Å²	130	159.7 Å²	159.7	80%	0.798	80%	0.8	S	S	*	*			trans	-140.5	-169.7	175.4	58.4	0	0	0	0	108
935	P	55.9	Low	36.4	Very low	100 Å²	100	160.3 Å²	160.3	65%	0.649	80%	0.799	S	S	*	*			cis	-151.9	-174.9	9.7	46.2	-25	0	0	0	120.4
936	K	36.6	Very low	37.7	Very low	197 Å²	197	160.4 Å²	160.4	86%	0.857	80%	0.798	S	S	*	*			trans	69.1	121.5	144.5	-80.3	164.5	-177.3	172.9	0	123.6
937	R	32.1	Very low	37.9	Very low	236 Å²	236	159.9 Å²	159.9	89%	0.891	80%	0.796	S	S	*	*				-171.1	127.3	114.3	-116.7	-172.5	177.4	-168	0.4	116.7
938	S	32.7	Very low	38.2	Very low	91 Å²	91	157.5 Å²	157.5	64%	0.636	79%	0.792	S	S	*	*			trans	37.4	148.7	135.8	60.8	0	0	0	0	123.6
939	R	33.8	Very low	38.2	Very low	238 Å²	238	156.7 Å²	156.7	90%	0.898	79%	0.786	S	S	*	*			cis	-166.7	162.8	8.4	-120.8	167.1	-176.6	169.6	-1.6	113.1
940	R	31.5	Very low	37.1	Very low	218 Å²	218	156.7 Å²	156.7	82%	0.823	78%	0.784	S	S	*	*			trans	-18.3	165.6	158.3	-83.8	-174.3	175.6	169.6	-1.7	120.6
941	S	34.1	Very low	37.4	Very low	82 Å²	82	160.4 Å²	160.4	57%	0.573	79%	0.786	S	S	*	*			cis	165.2	162.5	-22.3	61.7	0	0	0	0	112.4
942	R	32.8	Very low	37.2	Very low	228 Å²	228	163.9 Å²	163.9	86%	0.86	79%	0.786	S	S	*	*			trans	97.9	168.1	158.3	-65.4	173.5	171.9	170.3	-4.5	119.5
943	S	34.4	Very low	36.1	Very low	109 Å²	109	163.1 Å²	163.1	76%	0.762	78%	0.783	S	S	*	*			trans	-141.2	169.5	-152.5	55.7	0	0	0	0	114.6
944	R	31.2	Very low	36.2	Very low	247 Å²	247	162.5 Å²	162.5	93%	0.932	78%	0.781	S	S	*	*			trans	-176.5	173	152.3	-105.3	158.9	-176.6	-168.1	-0.7	115.2
945	T	33.5	Very low	35.8	Very low	130 Å²	130	160.9 Å²	160.9	80%	0.798	78%	0.775	S	S	*	*			trans	-133.6	-156.6	-173.3	55.1	0	0	0	0	110.4
946	P	59.1	Low	34.8	Very low	100 Å²	100	167.5 Å²	167.5	65%	0.649	79%	0.787	S	S	*	*				-126.4	-171.9	-63.2	34.3	-15.9	0	0	0	113.7
947	K	35.7	Very low	34.7	Very low	183 Å²	183	162.5 Å²	162.5	80%	0.796	78%	0.777	S	S	*	*			trans	162.1	138.3	132.1	-89.2	157.4	-174.4	171.6	0	118.8
948	K	36.7	Very low	34.8	Very low	193 Å²	193	162.8 Å²	162.8	84%	0.839	78%	0.778	S	S	*	*			trans	67.7	155.8	140	-76.1	-174.8	177.9	-174.4	0	120.9
949	S	33.7	Very low	34.8	Very low	95 Å²	95	163.9 Å²	163.9	66%	0.664	79%	0.785	S	S	*	*			cis	-167.3	160.5	-0.8	37.7	0	0	0	0	118
950	T	33.2	Very low	35.7	Very low	118 Å²	118	158.3 Å²	158.3	72%	0.724	78%	0.78	S	S	*	*			trans	81.9	107	140.7	39.3	0	0	0	0	127.6
951	K	35.4	Very low	36	Very low	194 Å²	194	156.6 Å²	156.6	84%	0.843	78%	0.781	S	S	*	*				68.9	140.6	118	-74.9	-176.3	178.2	176.7	0	126.4
952	K	32	Very low	36	Very low	191 Å²	191	164.3 Å²	164.3	83%	0.83	80%	0.798	S	S	*	*			trans	99.9	86.4	139.6	-90.2	-173.7	173.8	-176.5	0	124.6
953	S	33	Very low	36.2	Very low	100 Å²	100	157.5 Å²	157.5	70%	0.699	79%	0.785	S	S	*	*				38.1	136.3	117	70.6	0	0	0	0	126.5
954	R	31.9	Very low	36.4	Very low	232 Å²	232	159.8 Å²	159.8	88%	0.875	78%	0.783	S	S	*	*			trans	130.4	98.9	131.3	-83.9	-176.1	171.4	160.1	-2.5	121
955	S	33.1	Very low	36.6	Very low	96 Å²	96	156.4 Å²	156.4	67%	0.671	78%	0.775	S	S	*	*				55.3	139.3	120.7	68.7	0	0	0	0	126.8
956	R	34.6	Very low	36.8	Very low	240 Å²	240	159.1 Å²	159.1	91%	0.906	78%	0.776	S	S	*	*			trans	74.8	153.4	151.8	-73.7	179.5	172.4	-179.8	-3.1	118.8
957	S	34.4	Very low	35.8	Very low	91 Å²	91	158.3 Å²	158.3	64%	0.636	77%	0.773	S	S	*	*			cis	-175.8	158.5	-20.5	57.2	0	0	0	0	114.9
958	R	33.2	Very low	36.2	Very low	243 Å²	243	159.4 Å²	159.4	92%	0.917	78%	0.777	S	S	*	*			trans	83.5	159.1	152.7	-76.8	174.6	172.6	174.1	-3.3	121.7
959	S	33.8	Very low	36.2	Very low	113 Å²	113	159.9 Å²	159.9	79%	0.79	78%	0.779	S	S	*	*			trans	-101.2	-176	-166.5	-29.1	0	0	0	0	113.2
960	P	53.4	Low	36.5	Very low	121 Å²	121	159.9 Å²	159.9	79%	0.786	78%	0.779	S	S	*	*				-154.8	-165.6	61.3	42.7	-18.9	0	0	0	118.8
961	H	36.4	Very low	37.3	Very low	183 Å²	183	163.5 Å²	163.5	85%	0.847	79%	0.785	S	S	*	*			trans	-47.4	168.5	-180	-62	-75.6	0	0	0	118.6
962	R	33.7	Very low	37.5	Very low	244 Å²	244	166 Å²	166	92%	0.921	80%	0.799	S	S	*	*				-166.9	-173.8	62.5	-139.5	175.7	-177.4	-178.8	1.1	115.8
963	S	36.9	Very low	37.8	Very low	84 Å²	84	164.8 Å²	164.8	59%	0.587	80%	0.798	S	S	*	*			trans	-81.5	-172.5	-163.6	55	0	0	0	0	116.1
964	H	38.9	Very low	38.1	Very low	157 Å²	157	168.2 Å²	168.2	73%	0.727	80%	0.803	S	S	*	*			cis	-179	167.9	36.2	-133.5	-17.2	0	0	0	115.9
965	K	36.1	Very low	38.4	Very low	177 Å²	177	164.7 Å²	164.7	77%	0.77	80%	0.799	S	S	*	*			trans	70.8	162.5	156.8	-65.2	172.1	-178.9	175	0	118.3
966	K	36.6	Very low	38.7	Very low	186 Å²	186	168.7 Å²	168.7	81%	0.809	81%	0.807	S	S	*	*			cis	-170.7	176.2	-27.1	-105.2	-163.4	168.3	-171.5	0	108.4
967	S	39.5	Very low	39	Very low	84 Å²	84	164.3 Å²	164.3	59%	0.587	80%	0.8	S	S	*	*				-175.9	128	-56.4	60.4	0	0	0	0	114
968	K	43.8	Very low	39.3	Very low	205 Å²	205	169.1 Å²	169.1	89%	0.891	81%	0.811	S	S	*	*			trans	65.6	126.8	159	-64.3	-176.7	174.5	-176.9	0	122.5
969	K	37.4	Very low	39.7	Very low	203 Å²	203	163.9 Å²	163.9	88%	0.883	80%	0.804	S	S	*	*				164.6	157.5	129.5	-95.5	-166.1	176.4	-178	0	109.5
970	S	39.8	Very low	40.2	Very low	95 Å²	95	167.8 Å²	167.8	66%	0.664	81%	0.805	S	S	*	*			cis	-168.4	152.2	-23.9	46.6	0	0	0	0	110.7
971	K	48.8	Very low	39.1	Very low	194 Å²	194	171.7 Å²	171.7	84%	0.843	81%	0.806	S	S	*	*			trans	21.6	128.1	151.5	-74.6	-170.1	175.1	-169.6	0	119
972	H	41.1	Very low	39.3	Very low	248 Å²	248	170.6 Å²	170.6	100%	1.148	80%	0.803	S	S	*	*				-137.2	0	86.1	-142.9	-52.6	0	0	0	111.8

Retrieved 972 of 972 residues in 669.3 ms (Link to these results)

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