A0A096NDL7_PAPAN Loading...

DNA replication licensing factor MCM4

Acts as a component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. Core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity. Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A096NDL7, Species PAPAN (Papio anubis, Olive baboon), Gene MCM4, Length 863 aa.

						>A0A096NDL7_PAPAN|A0A096NDL7|MCM4
MSSPASTPSRRGSRRGRTTPAQTPRSEDARSSPSQRPRGEDSTSTGELQPMPTSPGGDLQSPVAQDVLFSSPPQMHSSAIPLDFDVSSPLTYGTPSSRVEGTPRSGVRGTPVRQRPDLGSAQKGLQVDLQSDGAAAEDIVASEQSLGQKLVIWGTDVNVATCKENFQRFLQRFIDPLAKEEENVGIDITEPLYMQRLGEINVIGEPFLNVNCEHIKSFDKNLYRQLISYPQEVIPTFDMAVNEIFFDRYPDSILEHQIQVRPFNALKTKNMRNLNPEDIDQLITISGMVIRTSQLIPEMQEAFFQCQVCAHTTRVEMDRGRIAEPSVCGRCHTTHSMALIHNRSLFSDKQMIKLQESPEDMPAGQTPHTVILFAHNDLVDKVQPGDRVNVTGIYRAVPIRINPRVSNVKSVYKTHIDVIHYRKTDAKRLHGLDEEAEQKLFSEKRVELLKELSRKPDIYERLASALAPSIYEHEDIKKGILLQLFGGTRKDFSHTGRGKFRAEINILLCGDPGTSKSQLLQYVYNLVPRGQYTSGKGSSAVGLTAYVMKDPETRQLVLQTGALVLSDNGICCIDEFDKMNESTRSVLHEVMEQQTLSIAKAGIICQLNARTSVLAAANPIESQWNPKKTTIENIQLPHTLLSRFDLIFLMLDPQDEAYDRRLAHHLVSLYYQSEEQAEEELLDMAVLKDYIAYAHSTIMPRLSEEASQALIEAYVDMRKIGSSRGMVSAYPRQLESLIRLAEAHAKVRLSNKVEAIDVEEAKRLHREALKQSATDPRTGIVDISILTTGMSATSRKRKEELAEALKKLILSKGKTPALKYQQLFEDIRGQSDIAITKDMFEEALRALADDDFLTVTGKTVRLL
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	35.1	Very low	251 Å²	251	152.6 Å²	152.6	100%	1.236	86%	0.862	S	S	*	*				0	167.4	0	-74.5	-177.8	169.5	0	0	109
2	S	30.7	Very low	34.2	Very low	118 Å²	118	146.3 Å²	146.3	83%	0.825	86%	0.856	S	S	*	*			trans	-87.7	135	-157.2	48.1	0	0	0	0	116
3	S	36.6	Very low	33.5	Very low	108 Å²	108	143 Å²	143	76%	0.755	85%	0.846	S	S	*	*			trans	-61.2	161.9	153.2	58	0	0	0	0	111.5
4	P	53.3	Low	33	Very low	131 Å²	131	148.5 Å²	148.5	85%	0.851	85%	0.845	S	S	*	*				-147.1	-176	83.3	40.3	-22.8	0	0	0	114.8
5	A	36	Very low	32.7	Very low	91 Å²	91	154.3 Å²	154.3	75%	0.752	85%	0.848	S	S	*	*			trans	-118.1	-164.1	177.2	0	0	0	0	0	111.8
6	S	31.3	Very low	32.3	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	84%	0.842	S	S	*	*			trans	92.5	123.1	164	78.6	0	0	0	0	119.8
7	T	33.5	Very low	32.2	Very low	129 Å²	129	154.6 Å²	154.6	79%	0.791	85%	0.846	S	S	*	*			trans	2.5	152.3	144.7	59.3	0	0	0	0	120.3
8	P	39.8	Very low	31.9	Very low	131 Å²	131	152.5 Å²	152.5	85%	0.851	84%	0.839	S	S	*	*				-137.6	155	104.1	38.5	-30	0	0	0	115.4
9	S	30.4	Very low	31.8	Very low	111 Å²	111	151.2 Å²	151.2	78%	0.776	84%	0.836	S	S	*	*			trans	-108.8	137.4	164.1	62.6	0	0	0	0	110.5
10	R	27.3	Very low	32.6	Very low	253 Å²	253	149.2 Å²	149.2	96%	0.955	83%	0.83	S	S	*	*			trans	-161.1	145.3	154.8	-118.7	171.8	-174.4	-162.7	0.9	115.7
11	R	26.6	Very low	32.5	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	82%	0.824	S	S	*	*			trans	-54.2	153.9	-179.5	-56	163.8	171.1	175.7	-5.5	114.8
12	G	24.2	Very low	31.9	Very low	76 Å²	76	143 Å²	143	78%	0.784	81%	0.806	S	S	*	*			trans	-178.2	77.7	162.1	0	0	0	0	0	121.8
13	S	25.4	Very low	31.7	Very low	104 Å²	104	143.3 Å²	143.3	73%	0.727	80%	0.804	S	S	*	*				70.8	109	129.3	-161.5	0	0	0	0	124.3
14	R	27	Very low	32.1	Very low	220 Å²	220	143.3 Å²	143.3	83%	0.83	80%	0.801	S	S	*	*				79.9	145.4	126.1	-77.3	-179.6	164.5	168.9	-4.6	124.6
15	R	27.6	Very low	31	Very low	236 Å²	236	148.6 Å²	148.6	89%	0.891	80%	0.804	S	S	*	*			trans	73.2	132.6	160.1	-67.7	164.6	177.1	-178.7	-1.8	117.1
16	G	27	Very low	30.7	Very low	74 Å²	74	148.4 Å²	148.4	76%	0.763	80%	0.797	S	S	*	*			cis	120.1	110.3	-19.1	0	0	0	0	0	117.2
17	R	29.6	Very low	30.6	Very low	240 Å²	240	152 Å²	152	91%	0.906	80%	0.801	S	S	*	*			trans	172.2	152.2	165.9	-108.9	-172.2	159.9	168.2	-5.8	108.7
18	T	28.1	Very low	30.4	Very low	116 Å²	116	152.1 Å²	152.1	71%	0.712	80%	0.798	S	S	*	*			cis	-155.8	160.3	-16.6	-10.6	0	0	0	0	110.2
19	T	29.7	Very low	29.9	Very low	127 Å²	127	149.5 Å²	149.5	78%	0.779	79%	0.787	S	S	*	*			trans	-96.9	-166.2	168.4	52.5	0	0	0	0	109.9
20	P	47.2	Very low	29.8	Very low	111 Å²	111	154.8 Å²	154.8	72%	0.721	79%	0.79	S	S	*	*			cis	-145.1	-176.9	3	45.1	-25.8	0	0	0	118.5
21	A	30.1	Very low	29.8	Very low	86 Å²	86	147.3 Å²	147.3	71%	0.711	78%	0.776	S	S	*	*			trans	66.6	155	145.8	0	0	0	0	0	120.2
22	Q	28.2	Very low	30	Very low	185 Å²	185	140.9 Å²	140.9	86%	0.864	77%	0.769	S	S	*	*			cis	-157.2	174.1	-12.4	-118.1	171.4	-0.1	0	0	111.9
23	T	27.8	Very low	31.4	Very low	125 Å²	125	142.9 Å²	142.9	77%	0.767	77%	0.768	S	S	*	*			trans	-65.3	169.7	174.5	46	0	0	0	0	114.7
24	P	44.4	Very low	31.5	Very low	107 Å²	107	142.3 Å²	142.3	70%	0.695	76%	0.764	S	S	*	*			cis	-157.1	170.9	38.2	44.6	-22.7	0	0	0	122.4
25	R	29.4	Very low	31.5	Very low	243 Å²	243	140.4 Å²	140.4	92%	0.917	77%	0.765	S	S	*	*			trans	58.8	152	146.5	-77.4	-179.6	-178.2	-174.5	-0.6	120.8
26	S	29.7	Very low	31.4	Very low	86 Å²	86	140.4 Å²	140.4	60%	0.601	77%	0.765	S	S	*	*			cis	-166.3	153.8	-5.7	39.8	0	0	0	0	112.5
27	E	30.1	Very low	31.9	Very low	183 Å²	183	142.5 Å²	142.5	86%	0.855	77%	0.765	S	S	*	*			trans	62.4	138.5	155.6	-75.2	152.8	-139	0	0	119.1
28	D	28.7	Very low	31.6	Very low	133 Å²	133	143 Å²	143	71%	0.711	77%	0.767	S	S	*	*			cis	-143.4	-169.6	-8	-156.8	33.1	0	0	0	106.3
29	A	29.3	Very low	31.4	Very low	76 Å²	76	141.2 Å²	141.2	63%	0.628	77%	0.772	S	S	*	*			cis	-156.3	162.8	15.8	0	0	0	0	0	115.7
30	R	27.9	Very low	31.2	Very low	222 Å²	222	144 Å²	144	84%	0.838	78%	0.776	S	S	*	*			trans	18.7	139.9	145.3	-58.8	177.9	-169	-153.1	-0.4	119.9
31	S	27.5	Very low	30.1	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	78%	0.779	S	S	*	*			cis	-175.9	104.8	-9.9	45.7	0	0	0	0	106.7
32	S	30.8	Very low	30	Very low	113 Å²	113	146.4 Å²	146.4	79%	0.79	78%	0.779	S	S	*	*				85.4	143.2	83.2	68.5	0	0	0	0	114.8
33	P	53.2	Low	29.9	Very low	118 Å²	118	144 Å²	144	77%	0.766	78%	0.777	S	S	*	*			trans	-123.1	-165.6	-156.8	42.7	-27.7	0	0	0	114
34	S	27.7	Very low	29.8	Very low	92 Å²	92	142.9 Å²	142.9	64%	0.643	77%	0.774	S	S	*	*				156.8	170.3	117.6	63.2	0	0	0	0	116.5
35	Q	28.3	Very low	29	Very low	181 Å²	181	144.5 Å²	144.5	85%	0.846	78%	0.782	S	S	*	*			trans	93	154.3	150.9	-75.5	171.1	81	0	0	122.5
36	R	25.2	Very low	29	Very low	236 Å²	236	136.6 Å²	136.6	89%	0.891	78%	0.777	S	S	*	*			trans	-110	-171.9	177.1	-60.9	176.1	171.1	173.2	-4.7	107
37	P	36.5	Very low	28.9	Very low	118 Å²	118	141.3 Å²	141.3	77%	0.766	79%	0.789	S	S	*	*			cis	-145.5	-149.2	10.9	45.8	-22.9	0	0	0	115.3
38	R	24.7	Very low	28.9	Very low	250 Å²	250	141 Å²	141	94%	0.943	79%	0.792	S	S	*	*			trans	-26	149.1	169.3	-60.1	172.2	172.8	172	-5.9	117.9
39	G	23.9	Very low	29.1	Very low	79 Å²	79	143.4 Å²	143.4	81%	0.814	80%	0.799	S	S	*	*			trans	-174.2	154.8	159.7	0	0	0	0	0	111.8
40	E	24.9	Very low	29.5	Very low	186 Å²	186	145.6 Å²	145.6	87%	0.869	81%	0.807	S	S	*	*			trans	-111.4	163	-175	-72.3	161.6	138.2	0	0	112.9
41	D	24.6	Very low	29.7	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	81%	0.809	S	S	*	*			trans	63.6	122	150.1	-71.7	0.3	0	0	0	125.5
42	S	26.5	Very low	30.2	Very low	100 Å²	100	144.2 Å²	144.2	70%	0.699	81%	0.811	S	S	*	*				95.2	122	127.5	73.7	0	0	0	0	122.1
43	T	26.3	Very low	30.1	Very low	133 Å²	133	145.5 Å²	145.5	82%	0.816	82%	0.815	S	S	*	*			trans	53.9	126.1	150.3	55.8	0	0	0	0	119.3
44	S	26.8	Very low	29.2	Very low	103 Å²	103	145.2 Å²	145.2	72%	0.72	82%	0.816	S	S	*	*				-173	156.5	67	45.6	0	0	0	0	113.9
45	T	27.7	Very low	29.6	Very low	140 Å²	140	146.9 Å²	146.9	86%	0.859	82%	0.824	S	S	*	*			trans	34.2	123.4	149.9	56.8	0	0	0	0	121.2
46	G	27.8	Very low	29.6	Very low	78 Å²	78	142.1 Å²	142.1	80%	0.804	82%	0.824	S	S	*	*			trans	-179.3	107	164.3	0	0	0	0	0	113.5
47	E	29.3	Very low	29.9	Very low	184 Å²	184	134.7 Å²	134.7	86%	0.86	82%	0.82	S	S	*	*			trans	-72.2	153.9	179.8	-58.6	169.4	126.3	0	0	112.5
48	L	30	Very low	29.4	Very low	177 Å²	177	136.1 Å²	136.1	93%	0.927	82%	0.822	S	S	*	*			trans	-126.2	121.3	169	-77	171.5	0	0	0	110.1
49	Q	33	Very low	29.6	Very low	183 Å²	183	130.7 Å²	130.7	86%	0.855	81%	0.811	S	S	*	*			trans	-97.1	151.6	176.6	-72.4	-172.1	-6.4	0	0	112.4
50	P	37.4	Very low	29.7	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	81%	0.812	S	S	*	*			trans	-96.9	161.7	-176.6	38.4	-36	0	0	0	114.1
51	M	31.1	Very low	30	Very low	177 Å²	177	132 Å²	132	87%	0.872	81%	0.808	S	S	*	*			trans	-149.7	149.9	172.7	-85.6	-73.8	-82	0	0	109.6
52	P	39	Very low	30.6	Very low	110 Å²	110	130.4 Å²	130.4	71%	0.714	81%	0.806	S	S	*	*				-131.4	161.5	-55.3	35.4	-20.1	0	0	0	112.8
53	T	29.2	Very low	30.5	Very low	141 Å²	141	132.7 Å²	132.7	87%	0.865	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-100.2	145	172.8	47.1	0	0	0	0	112.5
54	S	32.5	Very low	30.6	Very low	112 Å²	112	130.3 Å²	130.3	78%	0.783	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.2	146.2	177.7	51.8	0	0	0	0	113.5
55	P	36.7	Very low	30.6	Very low	127 Å²	127	134.3 Å²	134.3	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-79.4	160.4	-179.8	33.6	-36.4	0	0	0	113.6
56	G	29.3	Very low	30.5	Very low	81 Å²	81	134.1 Å²	134.1	84%	0.835	81%	0.81	S	S	*	*			trans	-83.2	178.3	169.3	0	0	0	0	0	113.4
57	G	30.6	Very low	30.4	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	82%	0.815	S	S	*	*			trans	-122.5	-171.5	172	0	0	0	0	0	111.4
58	D	26	Very low	30.3	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	81%	0.809	S	S	*	*			trans	-156.4	154.9	173.2	-140.6	-14	0	0	0	114.7
59	L	30	Very low	30.1	Very low	136 Å²	136	136.5 Å²	136.5	71%	0.712	81%	0.806	S	S	*	*			trans	62.5	142.7	152.9	-81.5	159.5	0	0	0	124.7
60	Q	26	Very low	29.7	Very low	180 Å²	180	133 Å²	133	84%	0.841	80%	0.802	S	S	*	*			trans	81.1	120.5	156.9	-68.3	173.6	24.4	0	0	121.4
61	S	31.1	Very low	29.2	Very low	111 Å²	111	132.3 Å²	132.3	78%	0.776	80%	0.8	S	S	*	*			trans	-82.3	157.6	163.1	57.2	0	0	0	0	111.8
62	P	35.5	Very low	29.8	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	80%	0.795	S	S	*	*				-153.6	155	104.1	38.2	-21.5	0	0	0	117.5
63	V	25.3	Very low	29.7	Very low	147 Å²	147	130 Å²	130	89%	0.891	80%	0.799	S	S	*	*			trans	61.1	152	138.7	176.4	0	0	0	0	119.8
64	A	28	Very low	29.7	Very low	83 Å²	83	131.9 Å²	131.9	69%	0.686	80%	0.797	S	S	*	*			trans	-111.7	156.6	178.8	0	0	0	0	0	112.1
65	Q	26.4	Very low	29.3	Very low	188 Å²	188	135.7 Å²	135.7	88%	0.879	81%	0.805	S	S	*	*			trans	-170.6	169.1	137.6	-109.6	171.8	-17	0	0	114.4
66	D	25.6	Very low	28.9	Very low	136 Å²	136	138.4 Å²	138.4	73%	0.727	81%	0.806	S	S	*	*			trans	-70.7	159.4	-166.6	-42	-88.8	0	0	0	116.8
67	V	27	Very low	28.7	Very low	149 Å²	149	140.1 Å²	140.1	90%	0.903	81%	0.806	S	S	*	*				-149.9	164	123.6	-149.3	0	0	0	0	110.3
68	L	27.6	Very low	28.5	Very low	143 Å²	143	142.2 Å²	142.2	75%	0.749	81%	0.808	S	S	*	*			trans	-105.2	-177.8	-168.8	-68.9	160.9	0	0	0	114.9
69	F	24.5	Very low	28.5	Very low	197 Å²	197	139.3 Å²	139.3	86%	0.864	81%	0.805	S	S	*	*			trans	81.4	144.4	168.9	-65.1	-84.8	0	0	0	117.2
70	S	25.7	Very low	28.6	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	81%	0.81	S	S	*	*			cis	-154.7	159	-1.6	50.6	0	0	0	0	113.7
71	S	25.8	Very low	28.9	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	81%	0.805	S	S	*	*			trans	-79.9	-175.1	166.9	-29.8	0	0	0	0	112.3
72	P	43.3	Very low	29.1	Very low	116 Å²	116	139.8 Å²	139.8	75%	0.753	81%	0.808	S	S	*	*			cis	-123.5	-136.6	-7.8	43.7	-24.2	0	0	0	110.2
73	P	37.8	Very low	28.5	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	81%	0.813	S	S	*	*			cis	-118.4	-179.4	20.8	41.8	-26.7	0	0	0	116
74	Q	28.3	Very low	28.7	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	81%	0.809	S	S	*	*			trans	-93.2	166.9	-179.9	-59.8	160.9	-46.8	0	0	112.4
75	M	25.4	Very low	28.5	Very low	191 Å²	191	145.9 Å²	145.9	94%	0.941	81%	0.81	S	S	*	*			trans	-138.7	158.1	153	-97.6	-161.1	163.6	0	0	112.1
76	H	27.1	Very low	28.5	Very low	185 Å²	185	142.8 Å²	142.8	86%	0.856	80%	0.803	S	S	*	*			trans	-85.6	153.7	-160.4	-81.1	-101	0	0	0	115.3
77	S	25.4	Very low	28.5	Very low	117 Å²	117	141 Å²	141	82%	0.818	80%	0.802	S	S	*	*			trans	-76.3	145.6	160.6	46.8	0	0	0	0	111.9
78	S	26.8	Very low	28.8	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	80%	0.796	S	S	*	*			trans	-109.4	146.4	158.7	49.5	0	0	0	0	109.1
79	A	26.5	Very low	29.2	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	80%	0.796	S	S	*	*			trans	-122.5	-171.4	-175.8	0	0	0	0	0	111.1
80	I	30.6	Very low	29.3	Very low	163 Å²	163	135.7 Å²	135.7	84%	0.836	79%	0.792	S	S	*	*			trans	95.3	126	172.6	-55.3	159.4	0	0	0	113.9
81	P	32.6	Very low	29.5	Very low	112 Å²	112	136.2 Å²	136.2	73%	0.727	79%	0.791	S	S	*	*			cis	-129.8	-170.8	-25.6	36.7	-17.6	0	0	0	113
82	L	34.9	Very low	29.4	Very low	162 Å²	162	142.6 Å²	142.6	85%	0.848	80%	0.8	S	S	*	*			trans	-104.6	155.8	159.4	-73.8	166.5	0	0	0	109.1
83	D	24.3	Very low	28.6	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	80%	0.795	S	S	*	*			trans	-148.2	155.6	153.1	-107.9	-41.2	0	0	0	111.2
84	F	28.7	Very low	28.2	Very low	183 Å²	183	140.9 Å²	140.9	80%	0.803	80%	0.798	S	S	*	*			trans	-82.9	175	178.9	-82.5	-145.4	0	0	0	110.3
85	D	24	Very low	28.3	Very low	131 Å²	131	138.2 Å²	138.2	70%	0.701	80%	0.796	S	S	*	*			cis	-149.1	-177.8	4.3	-130.8	-30.1	0	0	0	106.4
86	V	26.3	Very low	28.3	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	79%	0.791	S	S	*	*				-169.9	135.5	60.1	165	0	0	0	0	109.7
87	S	25.2	Very low	28.4	Very low	100 Å²	100	131.4 Å²	131.4	70%	0.699	79%	0.789	S	S	*	*			trans	23.6	128.4	159.9	74	0	0	0	0	123.4
88	S	33.9	Very low	28.6	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	80%	0.795	S	S	*	*			trans	-68.1	172.7	153.4	-38.3	0	0	0	0	113
89	P	37.2	Very low	28.6	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	79%	0.793	S	S	*	*				-142.4	145.4	112.6	35	-21	0	0	0	117.4
90	L	25.7	Very low	28.8	Very low	150 Å²	150	143.7 Å²	143.7	79%	0.785	80%	0.802	S	S	*	*			trans	59.7	91.4	142	-60.6	172.6	0	0	0	121.7
91	T	28.9	Very low	28.6	Very low	120 Å²	120	139.5 Å²	139.5	74%	0.736	80%	0.799	S	S	*	*				16.9	113.9	124.9	53.6	0	0	0	0	120.7
92	Y	25	Very low	28.4	Very low	243 Å²	243	140.9 Å²	140.9	95%	0.953	81%	0.806	S	S	*	*				-131.3	151.5	125.3	-90.7	-100.1	0	0	0	106.3
93	G	25.4	Very low	28.6	Very low	64 Å²	64	138.5 Å²	138.5	66%	0.66	80%	0.801	S	S	*	*			cis	150.1	79.3	5.7	0	0	0	0	0	108.7
94	T	29.1	Very low	28.8	Very low	140 Å²	140	142.9 Å²	142.9	86%	0.859	81%	0.805	S	S	*	*			trans	-78.9	143	-174.8	38.8	0	0	0	0	113.3
95	P	30.5	Very low	28.8	Very low	123 Å²	123	140.2 Å²	140.2	80%	0.799	81%	0.809	S	S	*	*			trans	-131.9	104.5	151.6	33.7	-18.3	0	0	0	112.2
96	S	26.3	Very low	29.2	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	81%	0.814	S	S	*	*			trans	-121.2	78	169.1	-74.9	0	0	0	0	111.2
97	S	29.7	Very low	29.5	Very low	115 Å²	115	138.7 Å²	138.7	80%	0.804	82%	0.82	S	S	*	*			trans	-170.4	139	153.1	32.7	0	0	0	0	110.3
98	R	29.2	Very low	29.9	Very low	251 Å²	251	143 Å²	143	95%	0.947	82%	0.821	S	S	*	*			trans	-84.4	123.9	169.6	-85.5	177.2	164	162.8	-6	109.2
99	V	26.2	Very low	29.7	Very low	136 Å²	136	140.7 Å²	140.7	82%	0.824	82%	0.815	S	S	*	*			trans	-122.9	153.8	152.7	179	0	0	0	0	106.2
100	E	31.4	Very low	29.6	Very low	198 Å²	198	139 Å²	139	93%	0.925	80%	0.803	S	S	*	*	S	Bend	trans	-70.1	138.2	-168.8	-61.9	170	115.2	0	0	113
101	G	26	Very low	30	Very low	75 Å²	75	137.2 Å²	137.2	77%	0.773	80%	0.8	S	S	*	*			trans	160.4	124	176	0	0	0	0	0	113.5
102	T	28.3	Very low	30.5	Very low	141 Å²	141	136.4 Å²	136.4	87%	0.865	80%	0.795	S	S	*	*			trans	-107.1	167.8	173.2	55.8	0	0	0	0	110
103	P	38.8	Very low	31.4	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	78%	0.775	S	S	*	*			cis	-132.6	164.6	4.3	40.5	-24.3	0	0	0	116.8
104	R	29.2	Very low	32.5	Very low	250 Å²	250	133.5 Å²	133.5	94%	0.943	77%	0.767	S	S	*	*			trans	24.7	116.7	149.6	-63.7	-177.8	175.6	-172.5	-2	120.3
105	S	27.9	Very low	33.6	Very low	127 Å²	127	128.1 Å²	128.1	89%	0.888	73%	0.731	S	S	*	*				-134.2	151.3	130	64.1	0	0	0	0	108.9
106	G	32.8	Very low	34.4	Very low	78 Å²	78	124.4 Å²	124.4	80%	0.804	71%	0.707	S	S	*	*			trans	-104.8	114.2	-159	0	0	0	0	0	115.9
107	V	33.4	Very low	35.6	Very low	144 Å²	144	119.3 Å²	119.3	87%	0.873	67%	0.67	S	S	*	*			trans	-135	103.8	152.6	-179.2	0	0	0	0	107.5	G109	V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 2.68Å; V107-G109 VanDerWaalsContact O-N 3.15Å
108	R	32.3	Very low	36.9	Very low	189 Å²	189	114.8 Å²	114.8	71%	0.713	64%	0.637	S	S	*	*			trans	-90.1	63.2	-174.2	-156	-175.9	-165.5	-159	4	110.8
109	G	31.3	Very low	37.7	Very low	64 Å²	64	104.6 Å²	104.6	66%	0.66	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-95.7	116	174.8	0	0	0	0	0	111.7	V107	V107-G109 VanDerWaalsContact C-N 3.32Å; V107-G109 PolarHBondContact O-N 2.68Å; V107-G109 VanDerWaalsContact O-N 3.15Å
110	T	35.1	Very low	38.3	Very low	78 Å²	78	100.5 Å²	100.5	48%	0.479	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-73.5	134.6	172.8	48.4	0	0	0	0	110.9	V112 F246	T110-V112 PolarHBondContact O-N 3.16Å; T110-F246 HydrophobicContact CG2-CE2 4.04Å
111	P	33.7	Very low	38.5	Very low	113 Å²	113	93.7 Å²	93.7	73%	0.734	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-66.5	129.7	174.3	28	-33.6	0	0	0	110.6	R113	P111-R113 PolarHBondContact O-N 2.65Å
112	V	39.5	Very low	39.2	Very low	103 Å²	103	97.2 Å²	97.2	62%	0.624	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-71.4	117.5	176.1	178.1	0	0	0	0	109.2	T110 M239	T110-V112 PolarHBondContact O-N 3.16Å; V112-M239 HydrophobicContact CG2-SD 4.43Å
113	R	43.8	Very low	39.6	Very low	144 Å²	144	98 Å²	98	54%	0.543	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-100.6	125.4	164.7	-157.5	176	-165	-168.1	3.6	107.4	P111 E301	P111-R113 PolarHBondContact O-N 2.65Å; R113-E301 IonicContact NH2-OE1 3.09Å; R113-E301 PolarHBondContact NH2-OE1 3.36Å; R113-E301 VanDerWaalsContact NH2-OE1 3.13Å
114	Q	47.1	Very low	39.6	Very low	103 Å²	103	93.8 Å²	93.8	48%	0.481	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-76.4	138.6	-172	-65.4	176.6	46.6	0	0	110.5
115	R	53.3	Low	39.9	Very low	27 Å²	27	88.3 Å²	88.3	10%	0.102	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-75.4	121.9	-177.5	-147.5	-155.9	-72.1	-167.8	-0.5	110	D117 L118 I234 D238 V260	R115-D117 VanDerWaalsContact C-N 3.26Å; R115-D117 WeakPolarHBondContact CD-OD2 3.32Å; R115-D117 IonicContact NH1-OD2 3.55Å; R115-D117 PolarHBondContact O-N 3.07Å; R115-L118 PolarHBondContact O-N 3.15Å; R115-I234 VanDerWaalsContact NH2-CG2 3.32Å; R115-D238 IonicContact CZ-OD1 2.67Å; R115-D238 IonicContact CZ-OD2 3.78Å; R115-D238 VanDerWaalsContact CZ-OD2 3.3Å; R115-D238 IonicContact NE-OD2 3.8Å; R115-D238 PolarHBondContact NE-OD2 3.43Å; R115-D238 IonicContact NH2-OD1 2.98Å; R115-D238 PolarHBondContact NH2-OD1 3.44Å; R115-D238 IonicContact NH2-OD2 2.7Å; R115-D238 PolarHBondContact NH2-OD2 2.58Å; R115-V260 PolarHBondContact NH1-O 2.98Å; R115-V260 VanDerWaalsContact NH1-O 3.15Å; R115-V260 PolarHBondContact NH2-O 3.12Å
116	P	47.3	Very low	40.6	Very low	45 Å²	45	87.9 Å²	87.9	29%	0.292	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.6	-172.5	-21.5	32.3	0	0	0	114.1	L118	P116-L118 PolarHBondContact O-N 3.32Å
117	D	50.7	Low	41.1	Very low	11 Å²	11	87 Å²	87	6%	0.059	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.8	-179.3	-29	-35.5	0	0	0	112.4	R115 G119 H375 N376	R115-D117 VanDerWaalsContact C-N 3.26Å; R115-D117 WeakPolarHBondContact CD-OD2 3.32Å; R115-D117 IonicContact NH1-OD2 3.55Å; R115-D117 PolarHBondContact O-N 3.07Å; D117-G119 PolarHBondContact O-N 2.94Å; D117-H375 HydrophobicContact CB-CB 4.02Å; D117-H375 WeakPolarHBondContact OD1-CB 3.41Å; D117-N376 PolarHBondContact OD1-ND2 2.89Å
118	L	58.6	Low	41.6	Very low	20 Å²	20	84.1 Å²	84.1	11%	0.105	46%	0.461	C	S	.	.	S	Bend	trans	-100.6	75.6	178	-62	176.7	0	0	0	109.4	R115 P116 S120 I234 P235 I393	R115-L118 PolarHBondContact O-N 3.15Å; P116-L118 PolarHBondContact O-N 3.32Å; L118-S120 PolarHBondContact O-N 3.17Å; L118-I234 HydrophobicContact CD1-CB 3.89Å; L118-I234 HydrophobicContact CD1-CG2 3.77Å; L118-I234 HydrophobicContact CD2-CD1 4.38Å; L118-P235 HydrophobicContact CD1-CG 3.7Å; L118-I393 HydrophobicContact CD2-CD1 3.64Å
119	G	46.1	Very low	42.1	Very low	37 Å²	37	81.4 Å²	81.4	38%	0.381	46%	0.46	S	S	.	.			trans	-41.5	122.7	-177.4	0	0	0	0	0	113.7	D117 A121	D117-G119 PolarHBondContact O-N 2.94Å; G119-A121 PolarHBondContact O-N 3.36Å
120	S	37.5	Very low	42.6	Very low	51 Å²	51	86.7 Å²	86.7	36%	0.357	47%	0.468	S	S	.	.			trans	-55.1	97.1	-166.6	179	0	0	0	0	113.9	L118 R319	L118-S120 PolarHBondContact O-N 3.17Å; S120-R319 PolarHBondContact OG-N 2.6Å
121	A	36.8	Very low	42.6	Very low	54 Å²	54	88 Å²	88	45%	0.446	48%	0.48	S	S	.	.			trans	-73.2	164.9	159.4	0	0	0	0	0	110.2	G119 K123	G119-A121 PolarHBondContact O-N 3.36Å; A121-K123 PolarHBondContact O-N 3.45Å
122	Q	38.8	Very low	42.7	Very low	149 Å²	149	91.2 Å²	91.2	70%	0.696	49%	0.491	S	S	*	.			trans	-64.2	132.8	-174.8	-57.7	-168.7	22.3	0	0	111.3	G124	Q122-G124 VanDerWaalsContact C-N 3.26Å; Q122-G124 PolarHBondContact O-N 3.12Å
123	K	38.1	Very low	42.2	Very low	157 Å²	157	89.5 Å²	89.5	68%	0.683	49%	0.494	S	S	*	.			trans	-59.7	100.5	146.6	-72.1	-175.9	178.1	179.3	0	106.7	A121 R319	A121-K123 PolarHBondContact O-N 3.45Å; K123-R319 PolarHBondContact O-NH2 3.16Å
124	G	37.5	Very low	41.5	Very low	25 Å²	25	87.5 Å²	87.5	26%	0.258	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-64.6	161.6	160.1	0	0	0	0	0	109.6	Q122	Q122-G124 VanDerWaalsContact C-N 3.26Å; Q122-G124 PolarHBondContact O-N 3.12Å
125	L	36.3	Very low	40.7	Very low	136 Å²	136	87.7 Å²	87.7	71%	0.712	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-64.3	140.9	167	-74.6	83.2	0	0	0	108	V127 W153	L125-V127 HydrophobicContact CB-CG2 4.11Å; L125-W153 WeakPolarHBondContact O-CB 3.32Å; L125-W153 PolarHBondContact O-N 3.16Å
126	Q	42.3	Very low	39.9	Very low	118 Å²	118	91.1 Å²	91.1	55%	0.551	56%	0.562	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.5	132.7	157.7	-71.2	174.2	-35.3	0	0	106.7	L150	Q126-L150 HydrophobicContact CB-CD2 4.13Å
127	V	43.2	Very low	39.1	Very low	58 Å²	58	97.9 Å²	97.9	35%	0.352	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.4	119.8	-176.9	173.7	0	0	0	0	109	L125 L129 W153	L125-V127 HydrophobicContact CB-CG2 4.11Å; V127-L129 PolarHBondContact O-N 3Å; V127-W153 HydrophobicContact CB-CE3 4.17Å; V127-W153 HydrophobicContact CG2-CE3 3.58Å; V127-W153 HydrophobicContact CG2-CZ3 4.05Å
128	D	43.4	Very low	38.1	Very low	84 Å²	84	105.3 Å²	105.3	45%	0.449	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.2	123.6	176.2	-76.2	-39.1	0	0	0	110.7	Q130	D128-Q130 VanDerWaalsContact C-N 3.25Å; D128-Q130 PolarHBondContact O-N 3.22Å
129	L	44.4	Very low	37.3	Very low	133 Å²	133	112.3 Å²	112.3	70%	0.696	67%	0.665	S	S	*	*			trans	-78.5	74.8	171.7	-72.6	167.9	0	0	0	110.4	V127 V151	V127-L129 PolarHBondContact O-N 3Å; L129-V151 HydrophobicContact CD1-CG2 4.4Å
130	Q	40.4	Very low	36.8	Very low	175 Å²	175	117.2 Å²	117.2	82%	0.818	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-78.4	122.6	161.8	-68.6	-168	2.6	0	0	109.8	D128	D128-Q130 VanDerWaalsContact C-N 3.25Å; D128-Q130 PolarHBondContact O-N 3.22Å
131	S	35.2	Very low	36.7	Very low	105 Å²	105	119.6 Å²	119.6	73%	0.734	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-98.2	127.8	166.8	55.6	0	0	0	0	109.3	G133	S131-G133 PolarHBondContact O-N 3.47Å
132	D	35.8	Very low	36.7	Very low	181 Å²	181	120.4 Å²	120.4	97%	0.968	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-51.2	121	175.3	-76.6	-55.8	0	0	0	111.5
133	G	30.3	Very low	36.9	Very low	67 Å²	67	121.9 Å²	121.9	69%	0.691	72%	0.719	S	S	*	*			trans	-158.4	17.1	-159.4	0	0	0	0	0	118.5	S131	S131-G133 PolarHBondContact O-N 3.47Å
134	A	28.8	Very low	37	Very low	101 Å²	101	123 Å²	123	84%	0.835	73%	0.726	S	S	*	*			trans	68.4	150.3	169.7	0	0	0	0	0	119.7
135	A	29.8	Very low	37.1	Very low	107 Å²	107	125 Å²	125	88%	0.884	74%	0.737	S	S	*	*			trans	57.5	122.5	165.6	0	0	0	0	0	118.7
136	A	36.5	Very low	37.5	Very low	100 Å²	100	123.4 Å²	123.4	83%	0.826	73%	0.728	S	S	*	*			trans	-105.3	124.5	168.6	0	0	0	0	0	110.5
137	E	30.8	Very low	37.7	Very low	187 Å²	187	119.6 Å²	119.6	87%	0.874	72%	0.721	S	S	*	*			trans	-161.3	170.1	151.5	-111	161.5	-154.6	0	0	107.9
138	D	29.4	Very low	38.1	Very low	166 Å²	166	123.1 Å²	123.1	89%	0.888	73%	0.734	S	S	*	*			trans	59.1	91	-174.1	-67.2	-14.6	0	0	0	117.5
139	I	42.7	Very low	38.8	Very low	167 Å²	167	125.8 Å²	125.8	86%	0.856	74%	0.741	S	S	*	*			trans	-96.5	158.3	167.4	-59	176	0	0	0	109.3
140	V	35.7	Very low	40.2	Very low	141 Å²	141	122.1 Å²	122.1	86%	0.855	72%	0.722	S	S	*	*	S	Bend	trans	84.3	53.6	176.1	-158.1	0	0	0	0	115.8
141	A	34.6	Very low	41.9	Very low	101 Å²	101	115.1 Å²	115.1	84%	0.835	69%	0.691	S	S	*	*	S	Bend	trans	-155.4	15.9	166.4	0	0	0	0	0	117.8
142	S	37.5	Very low	44	Very low	71 Å²	71	111.7 Å²	111.7	50%	0.497	66%	0.664	S	S	.	*			trans	-147.9	18.2	-163.3	59.1	0	0	0	0	119.8	Q144 S145	S142-Q144 VanDerWaalsContact C-N 3.28Å; S142-Q144 PolarHBondContact O-N 2.75Å; S142-S145 WeakPolarHBondContact O-CB 3.49Å; S142-S145 PolarHBondContact O-N 3.35Å
143	E	41.1	Very low	46	Very low	179 Å²	179	111.6 Å²	111.6	84%	0.836	65%	0.65	S	S	*	*	H	α-helix	trans	-59.1	-35.8	178	-68.5	-171.6	153.5	0	0	113.6	S145 L146	E143-S145 PolarHBondContact O-N 3.08Å; E143-L146 PolarHBondContact O-N 3.26Å
144	Q	41.9	Very low	48.2	Very low	180 Å²	180	111.4 Å²	111.4	84%	0.841	65%	0.648	S	S	*	*	H	α-helix	trans	-66.8	-21.3	176.1	-68.7	-177.6	-17	0	0	113.4	S142	S142-Q144 VanDerWaalsContact C-N 3.28Å; S142-Q144 PolarHBondContact O-N 2.75Å
145	S	39.5	Very low	50.7	Low	68 Å²	68	107.7 Å²	107.7	48%	0.476	62%	0.615	S	S	.	*	H	α-helix	trans	-83.7	-26.4	-178.4	-50	0	0	0	0	112.9	S142 E143 Q148	S142-S145 WeakPolarHBondContact O-CB 3.49Å; S142-S145 PolarHBondContact O-N 3.35Å; E143-S145 PolarHBondContact O-N 3.08Å; S145-Q148 PolarHBondContact O-N 2.81Å
146	L	43.5	Very low	53.1	Low	102 Å²	102	107.5 Å²	107.5	53%	0.534	60%	0.599	S	S	.	*	H	α-helix	trans	-68.9	-42.7	179.8	-74.6	162.8	0	0	0	111.5	E143 Q148 K149	E143-L146 PolarHBondContact O-N 3.26Å; L146-Q148 PolarHBondContact O-N 2.88Å; L146-K149 PolarHBondContact O-N 3.49Å; L146-K149 VanDerWaalsContact O-N 3.15Å
147	G	46.8	Very low	55.1	Low	38 Å²	38	102.8 Å²	102.8	39%	0.392	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-59.9	-16.7	177	0	0	0	0	0	114.8	K149	G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 3.25Å
148	Q	52.6	Low	57.8	Low	133 Å²	133	94.7 Å²	94.7	62%	0.621	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-82.3	-1.2	179.1	-64.4	-174.1	-25	0	0	114.4	S145 L146 N158	S145-Q148 PolarHBondContact O-N 2.81Å; L146-Q148 PolarHBondContact O-N 2.88Å; Q148-N158 PolarHBondContact O-ND2 3.47Å
149	K	58.4	Low	60.3	Low	140 Å²	140	89 Å²	89	61%	0.609	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-125.1	11.4	-179.6	-68.6	-173.7	178.6	179.7	0	115.2	L146 G147 V151	L146-K149 PolarHBondContact O-N 3.49Å; L146-K149 VanDerWaalsContact O-N 3.15Å; G147-K149 VanDerWaalsContact C-N 3.32Å; G147-K149 PolarHBondContact O-N 3.25Å; K149-V151 PolarHBondContact O-N 3Å
150	L	72	Confident	62.3	Low	55 Å²	55	83 Å²	83	29%	0.288	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114.2	174.2	-67.4	168.5	0	0	0	110.5	Q126	Q126-L150 HydrophobicContact CB-CD2 4.13Å
151	V	77.1	Confident	64.7	Low	28 Å²	28	79.3 Å²	79.3	17%	0.17	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.8	176.7	-178.1	0	0	0	0	109.3	L129 K149 T155	L129-V151 HydrophobicContact CD1-CG2 4.4Å; K149-V151 PolarHBondContact O-N 3Å; V151-T155 WeakPolarHBondContact CG1-O 3.43Å
152	I	79.6	Confident	67.1	Low	33 Å²	33	74.5 Å²	74.5	17%	0.169	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.5	177.1	-58.8	169.6	0	0	0	109.5	G154 T155 V157 V159 E232	I152-G154 PolarHBondContact O-N 3.27Å; I152-G154 VanDerWaalsContact O-N 3.14Å; I152-T155 PolarHBondContact O-N 3.07Å; I152-T155 PolarHBondContact O-OG1 3.4Å; I152-V157 PolarHBondContact N-O 3.32Å; I152-V159 HydrophobicContact CD1-CG2 3.8Å; I152-V159 HydrophobicContact CG1-CG2 4.39Å; I152-E232 HydrophobicContact CD1-CB 4.23Å; I152-E232 HydrophobicContact CD1-CG 4.11Å; I152-E232 WeakPolarHBondContact CD1-OE2 3.38Å; I152-E232 WeakPolarHBondContact CG2-OE1 3.26Å
153	W	76.8	Confident	69.5	Low	180 Å²	180	73.2 Å²	73.2	68%	0.682	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	117.5	-178.8	174.3	-84.8	0	0	0	112.6	L125 V127	L125-W153 WeakPolarHBondContact O-CB 3.32Å; L125-W153 PolarHBondContact O-N 3.16Å; V127-W153 HydrophobicContact CB-CE3 4.17Å; V127-W153 HydrophobicContact CG2-CE3 3.58Å; V127-W153 HydrophobicContact CG2-CZ3 4.05Å
154	G	76.9	Confident	71.7	Confident	63 Å²	63	68.9 Å²	68.9	65%	0.649	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.7	-7.7	-178.2	0	0	0	0	0	114.4	I152	I152-G154 PolarHBondContact O-N 3.27Å; I152-G154 VanDerWaalsContact O-N 3.14Å
155	T	81.6	Confident	73.9	Confident	22 Å²	22	62.4 Å²	62.4	14%	0.135	34%	0.344	C	S	.	.	S	Bend	trans	-124.8	172.2	175.4	77.8	0	0	0	0	111.1	V151 I152 V157 Y229 E232	V151-T155 WeakPolarHBondContact CG1-O 3.43Å; I152-T155 PolarHBondContact O-N 3.07Å; I152-T155 PolarHBondContact O-OG1 3.4Å; T155-V157 PolarHBondContact OG1-N 3.28Å; T155-Y229 HydrophobicContact CG2-CD1 3.4Å; T155-Y229 VanDerWaalsContact CG2-CD1 3.4Å; T155-Y229 HydrophobicContact CG2-CD2 4.14Å; T155-Y229 HydrophobicContact CG2-CE1 3.43Å; T155-Y229 VanDerWaalsContact CG2-CE1 3.43Å; T155-Y229 HydrophobicContact CG2-CE2 4.18Å; T155-Y229 HydrophobicContact CG2-CG 3.76Å; T155-E232 WeakPolarHBondContact CG2-OE1 3.38Å; T155-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T155-E232 PolarHBondContact OG1-OE2 3.41Å
156	D	81	Confident	76.2	Confident	104 Å²	104	59.1 Å²	59.1	56%	0.556	32%	0.321	S	S	*	.			trans	-101.6	12.9	172.1	71.6	-14.7	0	0	0	112.1	Q225	D156-Q225 PolarHBondContact O-NE2 2.73Å; D156-Q225 PolarHBondContact OD1-NE2 3.41Å; D156-Q225 VanDerWaalsContact OD1-NE2 3.12Å
157	V	78.5	Confident	78.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.			trans	-91.8	118.7	-167.7	-173	0	0	0	0	111	I152 T155 C162 Q225 Y229 V233	I152-V157 PolarHBondContact N-O 3.32Å; T155-V157 PolarHBondContact OG1-N 3.28Å; V157-C162 HydrophobicContact CG1-CB 4.42Å; V157-Q225 HydrophobicContact CG2-CB 4.21Å; V157-Q225 HydrophobicContact CG2-CG 4.11Å; V157-Y229 HydrophobicContact CG2-CD2 3.6Å; V157-Y229 HydrophobicContact CG2-CE2 4.33Å; V157-Y229 HydrophobicContact CG2-CG 4.27Å; V157-V233 HydrophobicContact CG1-CG2 4.43Å
158	N	85.9	Confident	80.2	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.091	30%	0.301	C	S	.	.			trans	-93.7	118.5	161.3	172.2	-10.6	0	0	0	109.3	Q148 A160 T161 C162	Q148-N158 PolarHBondContact O-ND2 3.47Å; N158-A160 PolarHBondContact O-N 3.18Å; N158-A160 WeakPolarHBondContact OD1-CB 3.43Å; N158-A160 PolarHBondContact OD1-N 3.09Å; N158-T161 WeakPolarHBondContact CB-OG1 3.38Å; N158-T161 PolarHBondContact O-N 3.21Å; N158-T161 PolarHBondContact O-OG1 2.86Å; N158-C162 VanDerWaalsContact O-CB 3.29Å; N158-C162 WeakPolarHBondContact O-CB 3.43Å; N158-C162 PolarHBondContact O-N 3.43Å
159	V	83	Confident	81.8	Confident	46 Å²	46	52 Å²	52	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-57.8	-42.8	-178.4	178.1	0	0	0	0	112.1	I152 C162 K163 T236	I152-V159 HydrophobicContact CD1-CG2 3.8Å; I152-V159 HydrophobicContact CG1-CG2 4.39Å; V159-C162 PolarHBondContact O-N 2.91Å; V159-K163 WeakPolarHBondContact O-CB 3.24Å; V159-K163 PolarHBondContact O-N 3.44Å; V159-T236 HydrophobicContact CG1-CG2 3.88Å; V159-T236 WeakPolarHBondContact O-CG2 3.48Å
160	A	85.4	Confident	83.1	Confident	43 Å²	43	45.6 Å²	45.6	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-66.3	-47.1	-176.8	0	0	0	0	0	111.7	N158 K163 E164	N158-A160 PolarHBondContact O-N 3.18Å; N158-A160 WeakPolarHBondContact OD1-CB 3.43Å; N158-A160 PolarHBondContact OD1-N 3.09Å; A160-K163 PolarHBondContact O-N 3.04Å; A160-E164 PolarHBondContact O-N 2.59Å
161	T	85.8	Confident	83.6	Confident	62 Å²	62	47.7 Å²	47.7	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-67.3	-37	177.7	47.8	0	0	0	0	112.5	N158 N165	N158-T161 WeakPolarHBondContact CB-OG1 3.38Å; N158-T161 PolarHBondContact O-N 3.21Å; N158-T161 PolarHBondContact O-OG1 2.86Å; T161-N165 WeakPolarHBondContact O-CB 3.4Å; T161-N165 VanDerWaalsContact O-CG 3.23Å; T161-N165 PolarHBondContact O-N 3.37Å; T161-N165 PolarHBondContact O-OD1 3.49Å
162	C	84.6	Confident	83.8	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-49.1	175.1	176.4	0	0	0	0	111	V157 N158 V159 N165 F166 L222 T236	V157-C162 HydrophobicContact CG1-CB 4.42Å; N158-C162 VanDerWaalsContact O-CB 3.29Å; N158-C162 WeakPolarHBondContact O-CB 3.43Å; N158-C162 PolarHBondContact O-N 3.43Å; V159-C162 PolarHBondContact O-N 2.91Å; C162-N165 PolarHBondContact O-N 2.86Å; C162-F166 WeakPolarHBondContact O-CB 3.16Å; C162-F166 PolarHBondContact O-N 2.85Å; C162-L222 HydrophobicContact CB-CD1 4.39Å; C162-L222 VanDerWaalsContact SG-CD1 3.53Å; C162-T236 HydrophobicContact CB-CG2 4.1Å
163	K	87.5	Confident	83.8	Confident	43 Å²	43	53.4 Å²	53.4	19%	0.187	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-52.2	176.1	-176.2	-165.9	171.9	-164.5	0	112.2	V159 A160 N165 F166 Q167 T236 A240 E243	V159-K163 WeakPolarHBondContact O-CB 3.24Å; V159-K163 PolarHBondContact O-N 3.44Å; A160-K163 PolarHBondContact O-N 3.04Å; K163-N165 PolarHBondContact O-N 3.33Å; K163-F166 PolarHBondContact O-N 3.15Å; K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3.23Å; K163-T236 HydrophobicContact CB-CG2 3.79Å; K163-A240 HydrophobicContact CG-CB 3.99Å; K163-E243 VanDerWaalsContact CE-CD 3.43Å; K163-E243 WeakPolarHBondContact CE-OE1 3.24Å; K163-E243 WeakPolarHBondContact CE-OE2 3.45Å; K163-E243 IonicContact NZ-OE1 3.48Å; K163-E243 PolarHBondContact NZ-OE1 3.03Å; K163-E243 IonicContact NZ-OE2 3.99Å; K163-E243 PolarHBondContact NZ-OE2 2.73Å
164	E	87.8	Confident	83.7	Confident	88 Å²	88	49.1 Å²	49.1	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-41.6	179	-73.2	-174.8	-144.8	0	0	112.6	A160 F166 Q167 R168	A160-E164 PolarHBondContact O-N 2.59Å; E164-F166 VanDerWaalsContact C-N 3.27Å; E164-F166 PolarHBondContact O-N 3.43Å; E164-Q167 PolarHBondContact O-N 2.89Å; E164-R168 VanDerWaalsContact CB-NH2 3.29Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 WeakPolarHBondContact O-CG 3.46Å; E164-R168 PolarHBondContact O-N 2.98Å; E164-R168 IonicContact OE2-CZ 3.78Å; E164-R168 IonicContact OE2-NE 3.87Å; E164-R168 IonicContact OE2-NH2 3.3Å; E164-R168 PolarHBondContact OE2-NH2 3.12Å
165	N	87.1	Confident	83.1	Confident	44 Å²	44	47.4 Å²	47.4	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-40.3	177.1	-76.2	10.8	0	0	0	110.8	T161 C162 K163 R168 F169 D219 L222	T161-N165 WeakPolarHBondContact O-CB 3.4Å; T161-N165 VanDerWaalsContact O-CG 3.23Å; T161-N165 PolarHBondContact O-N 3.37Å; T161-N165 PolarHBondContact O-OD1 3.49Å; C162-N165 PolarHBondContact O-N 2.86Å; K163-N165 PolarHBondContact O-N 3.33Å; N165-R168 PolarHBondContact O-N 3.03Å; N165-R168 PolarHBondContact OD1-NH1 3.21Å; N165-R168 PolarHBondContact OD1-NH2 3.26Å; N165-F169 PolarHBondContact O-N 3.34Å; N165-D219 PolarHBondContact ND2-OD2 3.35Å; N165-D219 VanDerWaalsContact ND2-OD2 3.07Å; N165-L222 HydrophobicContact CB-CD2 4.29Å
166	F	87.8	Confident	82.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.8	-38	177.2	-168	-112.9	0	0	0	113.1	C162 K163 E164 R168 F169 L170 I215 L222 F237 A240 V241 V260	C162-F166 WeakPolarHBondContact O-CB 3.16Å; C162-F166 PolarHBondContact O-N 2.85Å; K163-F166 PolarHBondContact O-N 3.15Å; E164-F166 VanDerWaalsContact C-N 3.27Å; E164-F166 PolarHBondContact O-N 3.43Å; F166-R168 VanDerWaalsContact C-N 3.34Å; F166-R168 PolarHBondContact O-N 2.95Å; F166-F169 AromaticContact CD2-CD1 3.77Å; F166-F169 HydrophobicContact CD2-CD1 3.77Å; F166-F169 HydrophobicContact CD2-CE1 4.4Å; F166-F169 AromaticContact CE2-CD1 3.69Å; F166-F169 HydrophobicContact CE2-CD1 3.69Å; F166-F169 AromaticContact CE2-CE1 3.89Å; F166-F169 HydrophobicContact CE2-CE1 3.89Å; F166-F169 WeakPolarHBondContact O-CB 3.38Å; F166-F169 PolarHBondContact O-N 2.97Å; F166-L170 HydrophobicContact CD1-CD1 3.86Å; F166-L170 HydrophobicContact CD1-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CD2 4.29Å; F166-L170 HydrophobicContact CE1-CG 4.06Å; F166-L170 HydrophobicContact CZ-CD1 4.23Å; F166-L170 HydrophobicContact CZ-CD2 4.08Å; F166-L170 HydrophobicContact CZ-CG 4.23Å; F166-L170 WeakPolarHBondContact O-CG 3.46Å; F166-L170 PolarHBondContact O-N 3.03Å; F166-I215 HydrophobicContact CE2-CD1 4.19Å; F166-L222 HydrophobicContact CB-CD2 4.14Å; F166-L222 HydrophobicContact CD2-CD2 4.17Å; F166-F237 HydrophobicContact CB-CD1 3.85Å; F166-F237 HydrophobicContact CB-CE1 3.74Å; F166-F237 HydrophobicContact CD1-CB 3.97Å; F166-F237 AromaticContact CD1-CD1 3.58Å; F166-F237 HydrophobicContact CD1-CD1 3.58Å; F166-F237 HydrophobicContact CD1-CD2 4.49Å; F166-F237 HydrophobicContact CD1-CE1 4.18Å; F166-F237 AromaticContact CD1-CG 3.76Å; F166-F237 HydrophobicContact CD1-CG 3.76Å; F166-F237 AromaticContact CD2-CD1 3.81Å; F166-F237 HydrophobicContact CD2-CD1 3.81Å; F166-F237 HydrophobicContact CD2-CD2 4.17Å; F166-F237 AromaticContact CD2-CE1 3.58Å; F166-F237 HydrophobicContact CD2-CE1 3.58Å; F166-F237 AromaticContact CD2-CE2 3.96Å; F166-F237 HydrophobicContact CD2-CE2 3.96Å; F166-F237 HydrophobicContact CD2-CG 4.1Å; F166-F237 AromaticContact CD2-CZ 3.66Å; F166-F237 HydrophobicContact CD2-CZ 3.66Å; F166-F237 HydrophobicContact CE1-CB 3.64Å; F166-F237 AromaticContact CE1-CD1 4Å; F166-F237 HydrophobicContact CE1-CD1 4Å; F166-F237 HydrophobicContact CE1-CD2 4.13Å; F166-F237 AromaticContact CE1-CG 3.66Å; F166-F237 HydrophobicContact CE1-CG 3.66Å; F166-F237 HydrophobicContact CE2-CD1 4.23Å; F166-F237 AromaticContact CE2-CD2 3.81Å; F166-F237 HydrophobicContact CE2-CD2 3.81Å; F166-F237 HydrophobicContact CE2-CE1 4.2Å; F166-F237 AromaticContact CE2-CE2 3.77Å; F166-F237 HydrophobicContact CE2-CE2 3.77Å; F166-F237 HydrophobicContact CE2-CG 4.04Å; F166-F237 AromaticContact CE2-CZ 3.98Å; F166-F237 HydrophobicContact CE2-CZ 3.98Å; F166-F237 AromaticContact CG-CD1 3.46Å; F166-F237 HydrophobicContact CG-CD1 3.46Å; F166-F237 VanDerWaalsContact CG-CD1 3.46Å; F166-F237 AromaticContact CG-CE1 3.57Å; F166-F237 HydrophobicContact CG-CE1 3.57Å; F166-F237 AromaticContact CG-CG 3.97Å; F166-F237 HydrophobicContact CG-CG 3.97Å; F166-F237 HydrophobicContact CG-CZ 4.15Å; F166-F237 HydrophobicContact CZ-CB 4.11Å; F166-F237 HydrophobicContact CZ-CD1 4.31Å; F166-F237 AromaticContact CZ-CD2 3.78Å; F166-F237 HydrophobicContact CZ-CD2 3.78Å; F166-F237 HydrophobicContact CZ-CE2 4.23Å; F166-F237 AromaticContact CZ-CG 3.82Å; F166-F237 HydrophobicContact CZ-CG 3.82Å; F166-A240 HydrophobicContact CD1-CB 3.79Å; F166-V241 HydrophobicContact CE1-CG2 3.98Å; F166-V260 HydrophobicContact CZ-CG2 4.44Å
167	Q	87.3	Confident	80.8	Confident	34 Å²	34	54 Å²	54	16%	0.159	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-43.4	171.8	-71.6	176.8	-37.1	0	0	111.2	K163 E164 F169 L170 Q171 A240 E243 I244	K163-Q167 WeakPolarHBondContact O-CG 3.38Å; K163-Q167 PolarHBondContact O-N 3.23Å; E164-Q167 PolarHBondContact O-N 2.89Å; Q167-F169 VanDerWaalsContact C-N 3.3Å; Q167-F169 PolarHBondContact O-N 3.44Å; Q167-L170 PolarHBondContact O-N 3.4Å; Q167-Q171 WeakPolarHBondContact O-CG 3.36Å; Q167-Q171 PolarHBondContact O-N 3.12Å; Q167-Q171 VanDerWaalsContact O-N 3.15Å; Q167-A240 HydrophobicContact CG-CB 3.76Å; Q167-E243 PolarHBondContact NE2-OE2 2.87Å; Q167-I244 HydrophobicContact CB-CD1 4.06Å; Q167-I244 HydrophobicContact CG-CD1 3.92Å; Q167-I244 HydrophobicContact CG-CG1 4.36Å
168	R	86.9	Confident	79.5	Confident	88 Å²	88	56 Å²	56	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-66	-29.4	174.8	-70.7	-174.5	-112.3	108.5	-6.5	113	E164 N165 F166 R172 F218	E164-R168 VanDerWaalsContact CB-NH2 3.29Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 WeakPolarHBondContact O-CG 3.46Å; E164-R168 PolarHBondContact O-N 2.98Å; E164-R168 IonicContact OE2-CZ 3.78Å; E164-R168 IonicContact OE2-NE 3.87Å; E164-R168 IonicContact OE2-NH2 3.3Å; E164-R168 PolarHBondContact OE2-NH2 3.12Å; N165-R168 PolarHBondContact O-N 3.03Å; N165-R168 PolarHBondContact OD1-NH1 3.21Å; N165-R168 PolarHBondContact OD1-NH2 3.26Å; F166-R168 VanDerWaalsContact C-N 3.34Å; F166-R168 PolarHBondContact O-N 2.95Å; R168-R172 VanDerWaalsContact O-CB 3.25Å; R168-R172 WeakPolarHBondContact O-CB 3.38Å; R168-R172 VanDerWaalsContact O-CG 3.26Å; R168-R172 WeakPolarHBondContact O-CG 3.43Å; R168-R172 PolarHBondContact O-N 2.74Å; R168-F218 HydrophobicContact CB-CZ 4.47Å
169	F	87.6	Confident	77.7	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.3	-56.8	170.7	163.8	-106.5	0	0	0	111.3	N165 F166 Q167 Q171 R172 F173 Y193 V210 H214 I215 F218	N165-F169 PolarHBondContact O-N 3.34Å; F166-F169 AromaticContact CD2-CD1 3.77Å; F166-F169 HydrophobicContact CD2-CD1 3.77Å; F166-F169 HydrophobicContact CD2-CE1 4.4Å; F166-F169 AromaticContact CE2-CD1 3.69Å; F166-F169 HydrophobicContact CE2-CD1 3.69Å; F166-F169 AromaticContact CE2-CE1 3.89Å; F166-F169 HydrophobicContact CE2-CE1 3.89Å; F166-F169 WeakPolarHBondContact O-CB 3.38Å; F166-F169 PolarHBondContact O-N 2.97Å; Q167-F169 VanDerWaalsContact C-N 3.3Å; Q167-F169 PolarHBondContact O-N 3.44Å; F169-Q171 PolarHBondContact O-N 3.41Å; F169-R172 PolarHBondContact O-N 3.48Å; F169-F173 HydrophobicContact CD2-CB 4.01Å; F169-F173 HydrophobicContact CD2-CD2 4.09Å; F169-F173 HydrophobicContact CD2-CG 4.28Å; F169-F173 HydrophobicContact CE2-CB 3.91Å; F169-F173 AromaticContact CE2-CD2 3.52Å; F169-F173 HydrophobicContact CE2-CD2 3.52Å; F169-F173 HydrophobicContact CE2-CE2 4.24Å; F169-F173 AromaticContact CE2-CG 3.72Å; F169-F173 HydrophobicContact CE2-CG 3.72Å; F169-F173 HydrophobicContact CZ-CD2 4.43Å; F169-F173 HydrophobicContact CZ-CG 4.31Å; F169-F173 VanDerWaalsContact O-CB 3.28Å; F169-F173 WeakPolarHBondContact O-CB 3.46Å; F169-F173 PolarHBondContact O-N 3.07Å; F169-Y193 HydrophobicContact CE1-CD2 4.07Å; F169-Y193 AromaticContact CE1-CE2 3.64Å; F169-Y193 HydrophobicContact CE1-CE2 3.64Å; F169-Y193 HydrophobicContact CE2-CE2 4.17Å; F169-Y193 HydrophobicContact CZ-CD2 4.13Å; F169-Y193 AromaticContact CZ-CE2 3.34Å; F169-Y193 HydrophobicContact CZ-CE2 3.34Å; F169-Y193 AromaticContact CZ-CZ 3.9Å; F169-V210 HydrophobicContact CE1-CG1 4.31Å; F169-H214 HydrophobicContact CE2-CB 4.13Å; F169-H214 HydrophobicContact CZ-CB 3.91Å; F169-I215 HydrophobicContact CD1-CG1 4.5Å; F169-I215 HydrophobicContact CE1-CG1 3.81Å; F169-I215 HydrophobicContact CE2-CG1 4.37Å; F169-I215 HydrophobicContact CZ-CB 4.46Å; F169-I215 HydrophobicContact CZ-CG1 3.72Å; F169-F218 HydrophobicContact CB-CD1 3.75Å; F169-F218 HydrophobicContact CB-CE1 3.77Å; F169-F218 HydrophobicContact CB-CG 4.33Å; F169-F218 HydrophobicContact CB-CZ 4.36Å; F169-F218 HydrophobicContact CD2-CB 3.7Å; F169-F218 AromaticContact CD2-CD1 3.99Å; F169-F218 HydrophobicContact CD2-CD1 3.99Å; F169-F218 HydrophobicContact CD2-CD2 4.39Å; F169-F218 AromaticContact CD2-CG 3.8Å; F169-F218 HydrophobicContact CD2-CG 3.8Å; F169-F218 HydrophobicContact CE2-CB 4.22Å; F169-F218 HydrophobicContact CG-CD1 4.35Å
170	L	83.9	Confident	75.9	Confident	7 Å²	7	70 Å²	70	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-55.3	-38.7	-177.9	-68.5	171.2	0	0	0	112.8	F166 Q167 Y193 L208 V241 I244	F166-L170 HydrophobicContact CD1-CD1 3.86Å; F166-L170 HydrophobicContact CD1-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD1 3.61Å; F166-L170 HydrophobicContact CE1-CD2 4.29Å; F166-L170 HydrophobicContact CE1-CG 4.06Å; F166-L170 HydrophobicContact CZ-CD1 4.23Å; F166-L170 HydrophobicContact CZ-CD2 4.08Å; F166-L170 HydrophobicContact CZ-CG 4.23Å; F166-L170 WeakPolarHBondContact O-CG 3.46Å; F166-L170 PolarHBondContact O-N 3.03Å; Q167-L170 PolarHBondContact O-N 3.4Å; L170-Y193 HydrophobicContact CD2-CD1 4.25Å; L170-Y193 HydrophobicContact CD2-CD2 4.16Å; L170-Y193 HydrophobicContact CD2-CG 3.75Å; L170-L208 HydrophobicContact CD2-CD2 4.32Å; L170-V241 HydrophobicContact CD1-CG2 3.94Å; L170-I244 HydrophobicContact CB-CD1 4.08Å; L170-I244 HydrophobicContact CD1-CD1 3.81Å
171	Q	83	Confident	74.1	Confident	99 Å²	99	73 Å²	73	46%	0.463	36%	0.357	S	S	.	.	H	α-helix	trans	-80	-17.7	-179.7	-68.1	175.9	-2.6	0	0	115	Q167 F169 P191 M194 I244	Q167-Q171 WeakPolarHBondContact O-CG 3.36Å; Q167-Q171 PolarHBondContact O-N 3.12Å; Q167-Q171 VanDerWaalsContact O-N 3.15Å; F169-Q171 PolarHBondContact O-N 3.41Å; Q171-P191 WeakPolarHBondContact O-CG 3.35Å; Q171-M194 HydrophobicContact CG-CE 4.47Å; Q171-M194 HydrophobicContact CG-SD 4.35Å; Q171-I244 HydrophobicContact CG-CD1 4.35Å
172	R	82.4	Confident	72.4	Confident	169 Å²	169	76.4 Å²	76.4	64%	0.638	37%	0.368	S	S	*	.	H	α-helix	trans	-121.5	-8	-172.8	-61.3	-179.5	177.7	-169.3	-1.2	114.4	R168 F169 I174 F218	R168-R172 VanDerWaalsContact O-CB 3.25Å; R168-R172 WeakPolarHBondContact O-CB 3.38Å; R168-R172 VanDerWaalsContact O-CG 3.26Å; R168-R172 WeakPolarHBondContact O-CG 3.43Å; R168-R172 PolarHBondContact O-N 2.74Å; F169-R172 PolarHBondContact O-N 3.48Å; R172-I174 PolarHBondContact O-N 3.32Å; R172-I174 VanDerWaalsContact O-N 3.09Å; R172-F218 HydrophobicContact CB-CE2 4.19Å
173	F	79	Confident	70.5	Confident	12 Å²	12	78.1 Å²	78.1	5%	0.053	38%	0.377	C	S	.	.			trans	-75.4	101.3	-178.4	-172.3	-94.7	0	0	0	111.2	F169 D175 P191 L192 Y193 H214	F169-F173 HydrophobicContact CD2-CB 4.01Å; F169-F173 HydrophobicContact CD2-CD2 4.09Å; F169-F173 HydrophobicContact CD2-CG 4.28Å; F169-F173 HydrophobicContact CE2-CB 3.91Å; F169-F173 AromaticContact CE2-CD2 3.52Å; F169-F173 HydrophobicContact CE2-CD2 3.52Å; F169-F173 HydrophobicContact CE2-CE2 4.24Å; F169-F173 AromaticContact CE2-CG 3.72Å; F169-F173 HydrophobicContact CE2-CG 3.72Å; F169-F173 HydrophobicContact CZ-CD2 4.43Å; F169-F173 HydrophobicContact CZ-CG 4.31Å; F169-F173 VanDerWaalsContact O-CB 3.28Å; F169-F173 WeakPolarHBondContact O-CB 3.46Å; F169-F173 PolarHBondContact O-N 3.07Å; F173-D175 HydrophobicContact CE1-CB 3.85Å; F173-D175 HydrophobicContact CZ-CB 4.23Å; F173-P191 WeakPolarHBondContact O-CA 3.31Å; F173-L192 PolarHBondContact O-N 2.98Å; F173-Y193 HydrophobicContact CB-CD2 4.11Å; F173-Y193 HydrophobicContact CB-CE2 4.23Å; F173-Y193 AromaticContact CD1-CD2 3.96Å; F173-Y193 HydrophobicContact CD1-CD2 3.96Å; F173-Y193 AromaticContact CD1-CE2 3.52Å; F173-Y193 HydrophobicContact CD1-CE2 3.52Å; F173-Y193 HydrophobicContact CE1-CE2 4.17Å; F173-Y193 HydrophobicContact CG-CD2 4.32Å; F173-Y193 AromaticContact CG-CE2 3.98Å; F173-Y193 HydrophobicContact CG-CE2 3.98Å; F173-H214 HydrophobicContact CD2-CB 4.42Å; F173-H214 HydrophobicContact CE1-CB 3.9Å; F173-H214 AromaticContact CE1-CG 3.71Å; F173-H214 AromaticContact CE1-ND1 3.32Å; F173-H214 VanDerWaalsContact CE1-ND1 3.32Å; F173-H214 WeakPolarHBondContact CE1-ND1 3.49Å; F173-H214 HydrophobicContact CE2-CB 3.8Å; F173-H214 HydrophobicContact CZ-CB 3.5Å; F173-H214 AromaticContact CZ-CG 3.49Å; F173-H214 VanDerWaalsContact CZ-CG 3.49Å; F173-H214 AromaticContact CZ-ND1 3.61Å
174	I	74.6	Confident	68.6	Low	90 Å²	90	79.4 Å²	79.4	46%	0.462	39%	0.388	S	S	.	.			trans	-99	135.6	162.6	-61.6	166.8	0	0	0	106.4	R172 P176 I188	R172-I174 PolarHBondContact O-N 3.32Å; R172-I174 VanDerWaalsContact O-N 3.09Å; I174-P176 WeakPolarHBondContact O-CD 3.38Å; I174-I188 VanDerWaalsContact CG2-O 3.32Å; I174-I188 WeakPolarHBondContact CG2-O 3.43Å
175	D	64.4	Low	66.8	Low	27 Å²	27	78.9 Å²	78.9	14%	0.144	41%	0.407	C	S	.	.			trans	-93	113.7	-178	-171	-5.8	0	0	0	111.5	F173 L177 A178 L192 H214	F173-D175 HydrophobicContact CE1-CB 3.85Å; F173-D175 HydrophobicContact CZ-CB 4.23Å; D175-L177 WeakPolarHBondContact OD1-CA 3.4Å; D175-L177 PolarHBondContact OD1-N 3.12Å; D175-A178 HydrophobicContact CB-CB 4.38Å; D175-A178 PolarHBondContact OD1-N 2.65Å; D175-L192 HydrophobicContact CB-CD1 4.35Å; D175-H214 IonicContact OD2-CE1 2.73Å
176	P	59.7	Low	65.2	Low	116 Å²	116	77.8 Å²	77.8	75%	0.753	40%	0.401	S	S	*	.	S	Bend	trans	-87.9	-0.9	176.1	37	-35	0	0	0	113.6	I174	I174-P176 WeakPolarHBondContact O-CD 3.38Å
177	L	54.4	Low	63.7	Low	148 Å²	148	83 Å²	83	78%	0.775	43%	0.429	S	S	*	.	S	Bend	trans	-114.9	3.8	-176.4	-66.6	174.8	0	0	0	113.2	D175 K179	D175-L177 WeakPolarHBondContact OD1-CA 3.4Å; D175-L177 PolarHBondContact OD1-N 3.12Å; L177-K179 PolarHBondContact O-N 3.14Å
178	A	51	Low	62.5	Low	41 Å²	41	87.8 Å²	87.8	34%	0.339	45%	0.454	S	S	.	.			trans	-52.2	108.9	177	0	0	0	0	0	111.7	D175 N183	D175-A178 HydrophobicContact CB-CB 4.38Å; D175-A178 PolarHBondContact OD1-N 2.65Å; A178-N183 VanDerWaalsContact CB-ND2 3.3Å; A178-N183 WeakPolarHBondContact CB-ND2 3.37Å
179	K	48.3	Very low	61.3	Low	166 Å²	166	89.5 Å²	89.5	72%	0.722	47%	0.474	S	S	*	.			trans	-66.9	136.5	166.3	-65.9	-175	177.4	-172.7	0	108.4	L177 E181 E182	L177-K179 PolarHBondContact O-N 3.14Å; K179-E181 PolarHBondContact O-N 3.13Å; K179-E182 PolarHBondContact O-N 3.47Å
180	E	45.5	Very low	60.3	Low	192 Å²	192	92.2 Å²	92.2	90%	0.897	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-13	-173.9	-58.1	-171.1	139.9	0	0	114.2
181	E	48.4	Very low	59.9	Low	106 Å²	106	93 Å²	93	50%	0.495	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-29.8	-179.9	-53	-150.3	160.3	0	0	115.1	K179 R445	K179-E181 PolarHBondContact O-N 3.13Å; E181-R445 IonicContact OE1-CZ 2.58Å; E181-R445 IonicContact OE1-NH1 3.95Å; E181-R445 PolarHBondContact OE1-NH1 2.97Å; E181-R445 IonicContact OE1-NH2 3.65Å; E181-R445 PolarHBondContact OE1-NH2 3.31Å; E181-R445 IonicContact OE2-CZ 3.28Å; E181-R445 IonicContact OE2-NH1 2.79Å; E181-R445 PolarHBondContact OE2-NH1 3.05Å; E181-R445 IonicContact OE2-NH2 3.27Å; E181-R445 PolarHBondContact OE2-NH2 3.38Å
182	E	49.2	Very low	59.7	Low	133 Å²	133	89.1 Å²	89.1	62%	0.621	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-20.5	-177	-71.9	-170.1	155.6	0	0	113.1	K179 R422	K179-E182 PolarHBondContact O-N 3.47Å; E182-R422 IonicContact OE1-NH2 3.71Å
183	N	45.5	Very low	59.7	Low	37 Å²	37	81.5 Å²	81.5	20%	0.198	45%	0.446	C	S	.	.			trans	-113.3	62.2	-173.2	-79.2	-19.5	0	0	0	112.9	A178 G185 I186	A178-N183 VanDerWaalsContact CB-ND2 3.3Å; A178-N183 WeakPolarHBondContact CB-ND2 3.37Å; N183-G185 PolarHBondContact O-N 3.08Å; N183-I186 HydrophobicContact CB-CB 4.2Å; N183-I186 HydrophobicContact CB-CD1 4.45Å; N183-I186 WeakPolarHBondContact OD1-CD1 3.44Å
184	V	45.8	Very low	59.8	Low	70 Å²	70	82.1 Å²	82.1	42%	0.424	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	109.1	173.6	178.9	0	0	0	0	110.4
185	G	50.2	Low	60.2	Low	77 Å²	77	79.3 Å²	79.3	79%	0.794	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	7	173.3	0	0	0	0	0	115.8	N183	N183-G185 PolarHBondContact O-N 3.08Å
186	I	54	Low	60.9	Low	21 Å²	21	81.9 Å²	81.9	11%	0.108	44%	0.442	C	S	.	.			trans	-89.2	119.5	176.1	-76.6	169	0	0	0	109.5	N183 I188 R196	N183-I186 HydrophobicContact CB-CB 4.2Å; N183-I186 HydrophobicContact CB-CD1 4.45Å; N183-I186 WeakPolarHBondContact OD1-CD1 3.44Å; I186-I188 PolarHBondContact O-N 2.88Å; I186-R196 VanDerWaalsContact CD1-CZ 3.47Å
187	D	56.3	Low	62.1	Low	110 Å²	110	76.7 Å²	76.7	59%	0.588	41%	0.408	S	S	*	.			trans	-73	114	177	-88.7	-32.9	0	0	0	109.6	T189 E190	D187-T189 PolarHBondContact O-N 3.26Å; D187-E190 PolarHBondContact O-N 3.34Å
188	I	61.6	Low	63.4	Low	134 Å²	134	70.2 Å²	70.2	69%	0.687	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-16.3	-177.7	-56.4	164.1	0	0	0	112.5	I174 I186	I174-I188 VanDerWaalsContact CG2-O 3.32Å; I174-I188 WeakPolarHBondContact CG2-O 3.43Å; I186-I188 PolarHBondContact O-N 2.88Å
189	T	62	Low	64.8	Low	124 Å²	124	71.5 Å²	71.5	76%	0.761	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.3	178.4	49.2	0	0	0	0	114.9	D187	D187-T189 PolarHBondContact O-N 3.26Å
190	E	67.1	Low	66.5	Low	57 Å²	57	64.4 Å²	64.4	27%	0.266	35%	0.346	S	S	.	.	S	Bend	trans	-101.3	142.7	172.3	-165.5	-180	177.4	0	0	110.3	D187 L192 Q195 R248	D187-E190 PolarHBondContact O-N 3.34Å; E190-L192 PolarHBondContact O-N 2.89Å; E190-Q195 HydrophobicContact CB-CG 4.11Å; E190-Q195 HydrophobicContact CG-CG 4.03Å; E190-Q195 VanDerWaalsContact OE2-CG 3.27Å; E190-Q195 WeakPolarHBondContact OE2-CG 3.2Å; E190-Q195 PolarHBondContact OE2-NE2 2.96Å; E190-R248 IonicContact OE1-CZ 2.74Å; E190-R248 IonicContact OE1-NH1 2.8Å; E190-R248 PolarHBondContact OE1-NH1 3.34Å; E190-R248 VanDerWaalsContact OE1-NH1 3.1Å; E190-R248 IonicContact OE1-NH2 2.65Å; E190-R248 PolarHBondContact OE1-NH2 3.34Å
191	P	75.8	Confident	68.3	Low	25 Å²	25	57.3 Å²	57.3	16%	0.162	31%	0.314	C	S	.	.			trans	-54.3	121.6	172	18.9	-34.1	0	0	0	113	Q171 F173 Y193 M194 Q195	Q171-P191 WeakPolarHBondContact O-CG 3.35Å; F173-P191 WeakPolarHBondContact O-CA 3.31Å; P191-Y193 VanDerWaalsContact C-N 3.3Å; P191-Y193 PolarHBondContact O-N 3.38Å; P191-Y193 VanDerWaalsContact O-N 3.16Å; P191-M194 HydrophobicContact CB-CB 4.42Å; P191-M194 HydrophobicContact CB-CG 3.95Å; P191-M194 HydrophobicContact CG-CB 3.98Å; P191-M194 HydrophobicContact CG-CG 3.58Å; P191-M194 WeakPolarHBondContact O-CB 3.28Å; P191-M194 PolarHBondContact O-N 2.72Å; P191-Q195 PolarHBondContact O-N 2.86Å
192	L	78.9	Confident	69.9	Low	16 Å²	16	58.2 Å²	58.2	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-52.2	-43.5	-171.7	178.8	153	0	0	0	112.9	F173 D175 E190 M194 Q195 R196	F173-L192 PolarHBondContact O-N 2.98Å; D175-L192 HydrophobicContact CB-CD1 4.35Å; E190-L192 PolarHBondContact O-N 2.89Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 2.78Å; L192-Q195 PolarHBondContact O-N 3.4Å; L192-R196 HydrophobicContact CD2-CG 3.96Å; L192-R196 WeakPolarHBondContact O-CG 3.22Å; L192-R196 PolarHBondContact O-N 3.43Å
193	Y	82.3	Confident	71.4	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-69.1	-25.2	-179.4	-66.6	-69.6	0	0	0	113.8	F169 L170 F173 P191 L197 V210 H214	F169-Y193 HydrophobicContact CE1-CD2 4.07Å; F169-Y193 AromaticContact CE1-CE2 3.64Å; F169-Y193 HydrophobicContact CE1-CE2 3.64Å; F169-Y193 HydrophobicContact CE2-CE2 4.17Å; F169-Y193 HydrophobicContact CZ-CD2 4.13Å; F169-Y193 AromaticContact CZ-CE2 3.34Å; F169-Y193 HydrophobicContact CZ-CE2 3.34Å; F169-Y193 AromaticContact CZ-CZ 3.9Å; L170-Y193 HydrophobicContact CD2-CD1 4.25Å; L170-Y193 HydrophobicContact CD2-CD2 4.16Å; L170-Y193 HydrophobicContact CD2-CG 3.75Å; F173-Y193 HydrophobicContact CB-CD2 4.11Å; F173-Y193 HydrophobicContact CB-CE2 4.23Å; F173-Y193 AromaticContact CD1-CD2 3.96Å; F173-Y193 HydrophobicContact CD1-CD2 3.96Å; F173-Y193 AromaticContact CD1-CE2 3.52Å; F173-Y193 HydrophobicContact CD1-CE2 3.52Å; F173-Y193 HydrophobicContact CE1-CE2 4.17Å; F173-Y193 HydrophobicContact CG-CD2 4.32Å; F173-Y193 AromaticContact CG-CE2 3.98Å; F173-Y193 HydrophobicContact CG-CE2 3.98Å; P191-Y193 VanDerWaalsContact C-N 3.3Å; P191-Y193 PolarHBondContact O-N 3.38Å; P191-Y193 VanDerWaalsContact O-N 3.16Å; Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 3.33Å; Y193-V210 HydrophobicContact CD1-CG2 4.45Å; Y193-V210 HydrophobicContact CE1-CB 4.37Å; Y193-V210 HydrophobicContact CE1-CG1 4.13Å; Y193-V210 HydrophobicContact CE1-CG2 4.01Å; Y193-H214 HydrophobicContact CE2-CB 4.49Å; Y193-H214 AromaticContact CZ-ND1 3.87Å; Y193-H214 WeakPolarHBondContact OH-CB 3.44Å; Y193-H214 PolarHBondContact OH-ND1 3.23Å
194	M	81.7	Confident	73	Confident	26 Å²	26	57.9 Å²	57.9	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-75.6	-29.6	175.9	-59.3	-69.5	-78.2	0	0	111.1	Q171 P191 L192 G198 I244 R248	Q171-M194 HydrophobicContact CG-CE 4.47Å; Q171-M194 HydrophobicContact CG-SD 4.35Å; P191-M194 HydrophobicContact CB-CB 4.42Å; P191-M194 HydrophobicContact CB-CG 3.95Å; P191-M194 HydrophobicContact CG-CB 3.98Å; P191-M194 HydrophobicContact CG-CG 3.58Å; P191-M194 WeakPolarHBondContact O-CB 3.28Å; P191-M194 PolarHBondContact O-N 2.72Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 2.78Å; M194-G198 PolarHBondContact O-N 3.15Å; M194-I244 HydrophobicContact CE-CG2 4.04Å; M194-I244 HydrophobicContact SD-CG2 3.81Å; M194-R248 PolarHBondContact O-NH1 3.46Å
195	Q	81.3	Confident	74.6	Confident	30 Å²	30	60.3 Å²	60.3	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-73.3	-46.6	169.8	-66	-162.2	-25.2	0	0	111.5	E190 P191 L192 L197 G198 E199	E190-Q195 HydrophobicContact CB-CG 4.11Å; E190-Q195 HydrophobicContact CG-CG 4.03Å; E190-Q195 VanDerWaalsContact OE2-CG 3.27Å; E190-Q195 WeakPolarHBondContact OE2-CG 3.2Å; E190-Q195 PolarHBondContact OE2-NE2 2.96Å; P191-Q195 PolarHBondContact O-N 2.86Å; L192-Q195 PolarHBondContact O-N 3.4Å; Q195-L197 PolarHBondContact O-N 3.39Å; Q195-G198 CarbonylContact O-C 3.59Å; Q195-G198 WeakPolarHBondContact O-CA 3.43Å; Q195-G198 PolarHBondContact O-N 3.48Å; Q195-E199 PolarHBondContact O-N 3.14Å
196	R	80.8	Confident	76.1	Confident	82 Å²	82	57.8 Å²	57.8	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-56.6	-35.4	172.4	-63.6	-52.8	-171.1	177.9	-1.9	112.6	I186 L192 G198 E199 I200 L208	I186-R196 VanDerWaalsContact CD1-CZ 3.47Å; L192-R196 HydrophobicContact CD2-CG 3.96Å; L192-R196 WeakPolarHBondContact O-CG 3.22Å; L192-R196 PolarHBondContact O-N 3.43Å; R196-G198 VanDerWaalsContact C-N 3.34Å; R196-E199 WeakPolarHBondContact CD-OE2 3.41Å; R196-E199 IonicContact CZ-OE1 3.9Å; R196-E199 IonicContact CZ-OE2 3.3Å; R196-E199 IonicContact NE-OE2 2.82Å; R196-E199 VanDerWaalsContact NH1-CD 3.34Å; R196-E199 IonicContact NH1-OE1 2.91Å; R196-E199 PolarHBondContact NH1-OE1 3.2Å; R196-E199 VanDerWaalsContact NH1-OE1 3.11Å; R196-E199 IonicContact NH1-OE2 2.96Å; R196-E199 PolarHBondContact NH1-OE2 3.45Å; R196-E199 PolarHBondContact O-N 3.22Å; R196-I200 WeakPolarHBondContact O-CB 3.21Å; R196-I200 WeakPolarHBondContact O-CD1 3.1Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.46Å; R196-I200 PolarHBondContact O-N 2.91Å; R196-L208 HydrophobicContact CB-CD1 4.25Å
197	L	83.5	Confident	77.6	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-70.3	-28.8	173.9	-163.4	67.4	0	0	0	113	Y193 Q195 N201 V241 I244 F245 I258	Y193-L197 WeakPolarHBondContact O-CB 3.37Å; Y193-L197 PolarHBondContact O-N 3.33Å; Q195-L197 PolarHBondContact O-N 3.39Å; L197-N201 PolarHBondContact O-N 2.84Å; L197-V241 HydrophobicContact CD1-CG1 3.93Å; L197-I244 HydrophobicContact CD2-CG2 3.81Å; L197-F245 HydrophobicContact CD1-CD2 4.01Å; L197-F245 HydrophobicContact CD2-CB 4.38Å; L197-F245 HydrophobicContact CD2-CD2 4.42Å; L197-F245 HydrophobicContact CG-CD2 4.06Å; L197-I258 HydrophobicContact CD1-CD1 3.8Å
198	G	81.8	Confident	79.1	Confident	13 Å²	13	53.7 Å²	53.7	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-71	-44	170.1	0	0	0	0	0	112.6	M194 Q195 R196 I200 N201 V202	M194-G198 PolarHBondContact O-N 3.15Å; Q195-G198 CarbonylContact O-C 3.59Å; Q195-G198 WeakPolarHBondContact O-CA 3.43Å; Q195-G198 PolarHBondContact O-N 3.48Å; R196-G198 VanDerWaalsContact C-N 3.34Å; G198-I200 PolarHBondContact O-N 2.8Å; G198-N201 WeakPolarHBondContact O-CB 3.43Å; G198-N201 PolarHBondContact O-N 2.66Å; G198-N201 VanDerWaalsContact O-N 3.17Å; G198-V202 WeakPolarHBondContact O-CG2 3.48Å; G198-V202 PolarHBondContact O-N 3.36Å; G198-V202 VanDerWaalsContact O-N 3.14Å
199	E	81.4	Confident	80.3	Confident	68 Å²	68	51.2 Å²	51.2	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-48.9	171.8	-67.3	174.1	170.3	0	0	110.9	Q195 R196 N201 V202 I203	Q195-E199 PolarHBondContact O-N 3.14Å; R196-E199 WeakPolarHBondContact CD-OE2 3.41Å; R196-E199 IonicContact CZ-OE1 3.9Å; R196-E199 IonicContact CZ-OE2 3.3Å; R196-E199 IonicContact NE-OE2 2.82Å; R196-E199 VanDerWaalsContact NH1-CD 3.34Å; R196-E199 IonicContact NH1-OE1 2.91Å; R196-E199 PolarHBondContact NH1-OE1 3.2Å; R196-E199 VanDerWaalsContact NH1-OE1 3.11Å; R196-E199 IonicContact NH1-OE2 2.96Å; R196-E199 PolarHBondContact NH1-OE2 3.45Å; R196-E199 PolarHBondContact O-N 3.22Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.13Å; E199-V202 PolarHBondContact O-N 3.13Å; E199-I203 HydrophobicContact CB-CD1 4.18Å; E199-I203 WeakPolarHBondContact O-CB 3.44Å; E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.27Å; E199-I203 PolarHBondContact O-N 2.88Å
200	I	83.3	Confident	81.5	Confident	16 Å²	16	45.3 Å²	45.3	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-53.1	-42.3	174.6	-78.1	165.1	0	0	0	112	R196 G198 V202 G204 E205 F207 L208 I258	R196-I200 WeakPolarHBondContact O-CB 3.21Å; R196-I200 WeakPolarHBondContact O-CD1 3.1Å; R196-I200 VanDerWaalsContact O-CG1 3.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.46Å; R196-I200 PolarHBondContact O-N 2.91Å; G198-I200 PolarHBondContact O-N 2.8Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 2.7Å; I200-G204 WeakPolarHBondContact O-CA 3.27Å; I200-G204 PolarHBondContact O-N 3Å; I200-E205 WeakPolarHBondContact CG2-O 3.35Å; I200-F207 WeakPolarHBondContact CD1-O 3.32Å; I200-L208 HydrophobicContact CD1-CB 4.11Å; I200-L208 HydrophobicContact CD1-CD1 3.7Å; I200-I258 HydrophobicContact CG2-CD1 4.24Å
201	N	82.5	Confident	82.4	Confident	43 Å²	43	43.5 Å²	43.5	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-69.8	-25.2	178.1	-173	65.3	0	0	0	113.5	L197 G198 E199 F245 Y249 S252	L197-N201 PolarHBondContact O-N 2.84Å; G198-N201 WeakPolarHBondContact O-CB 3.43Å; G198-N201 PolarHBondContact O-N 2.66Å; G198-N201 VanDerWaalsContact O-N 3.17Å; E199-N201 VanDerWaalsContact C-N 3.27Å; E199-N201 PolarHBondContact O-N 3.13Å; N201-F245 HydrophobicContact CB-CE2 3.98Å; N201-F245 HydrophobicContact CB-CZ 4.4Å; N201-F245 VanDerWaalsContact OD1-CZ 3.31Å; N201-F245 WeakPolarHBondContact OD1-CZ 3.42Å; N201-Y249 HydrophobicContact CB-CD2 4.29Å; N201-Y249 HydrophobicContact CB-CE2 4.08Å; N201-S252 WeakPolarHBondContact OD1-CB 3.44Å; N201-S252 PolarHBondContact OD1-OG 2.84Å
202	V	83.9	Confident	82.7	Confident	126 Å²	126	42.4 Å²	42.4	76%	0.764	23%	0.229	S	C	*	.	H	α-helix	trans	-88.1	-39.6	178	174.2	0	0	0	0	111.8	G198 E199 I200	G198-V202 WeakPolarHBondContact O-CG2 3.48Å; G198-V202 PolarHBondContact O-N 3.36Å; G198-V202 VanDerWaalsContact O-N 3.14Å; E199-V202 PolarHBondContact O-N 3.13Å; I200-V202 VanDerWaalsContact C-N 3.32Å; I200-V202 PolarHBondContact O-N 2.7Å
203	I	80.6	Confident	83	Confident	115 Å²	115	45.7 Å²	45.7	59%	0.59	24%	0.244	S	C	*	.	H	α-helix	trans	-78.3	-34.1	-179.2	-62.1	166.2	0	0	0	110.8	E199 E205	E199-I203 HydrophobicContact CB-CD1 4.18Å; E199-I203 WeakPolarHBondContact O-CB 3.44Å; E199-I203 VanDerWaalsContact O-CG1 3.3Å; E199-I203 WeakPolarHBondContact O-CG1 3.27Å; E199-I203 PolarHBondContact O-N 2.88Å; I203-E205 HydrophobicContact CG2-CB 4.19Å; I203-E205 HydrophobicContact CG2-CG 3.98Å
204	G	77.6	Confident	83.1	Confident	47 Å²	47	46.8 Å²	46.8	49%	0.485	25%	0.249	S	C	.	.			trans	86.1	3.8	-179	0	0	0	0	0	114.9	I200 P206	I200-G204 WeakPolarHBondContact O-CA 3.27Å; I200-G204 PolarHBondContact O-N 3Å; G204-P206 WeakPolarHBondContact O-CD 3.39Å
205	E	79.4	Confident	83.2	Confident	122 Å²	122	45.6 Å²	45.6	57%	0.57	24%	0.243	S	C	*	.			trans	-86.5	113.1	177.2	-76.3	-172.7	-167.4	0	0	111.6	I200 I203 F207	I200-E205 WeakPolarHBondContact CG2-O 3.35Å; I203-E205 HydrophobicContact CG2-CB 4.19Å; I203-E205 HydrophobicContact CG2-CG 3.98Å; E205-F207 HydrophobicContact CB-CD2 4.29Å; E205-F207 PolarHBondContact O-N 2.61Å
206	P	83.2	Confident	83.4	Confident	23 Å²	23	47.9 Å²	47.9	15%	0.149	25%	0.253	C	S	.	.			trans	-82.8	47.2	-169.9	36.1	-38.3	0	0	0	113.1	G204 H256 I258 Q259	G204-P206 WeakPolarHBondContact O-CD 3.39Å; P206-H256 HydrophobicContact CG-CB 4.13Å; P206-I258 HydrophobicContact CB-CG1 4.35Å; P206-I258 WeakPolarHBondContact O-CA 3.3Å; P206-Q259 PolarHBondContact O-N 3.23Å
207	F	85.3	Confident	83.6	Confident	42 Å²	42	48 Å²	48	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	114.7	-173.7	-55.5	-60	0	0	0	112.3	I200 E205 Q259 R261 D377	I200-F207 WeakPolarHBondContact CD1-O 3.32Å; E205-F207 HydrophobicContact CB-CD2 4.29Å; E205-F207 PolarHBondContact O-N 2.61Å; F207-Q259 HydrophobicContact CD1-CB 4.17Å; F207-R261 VanDerWaalsContact CD1-CZ 3.49Å; F207-R261 VanDerWaalsContact CE1-NH2 3.29Å; F207-D377 HydrophobicContact CE1-CB 4.25Å; F207-D377 HydrophobicContact CE2-CB 4.45Å; F207-D377 HydrophobicContact CZ-CB 3.72Å
208	L	87.6	Confident	83.6	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	97.9	177.4	-172.5	71	0	0	0	110.7	L170 R196 I200 V210 V241 I258 Q259 V260 R261	L170-L208 HydrophobicContact CD2-CD2 4.32Å; R196-L208 HydrophobicContact CB-CD1 4.25Å; I200-L208 HydrophobicContact CD1-CB 4.11Å; I200-L208 HydrophobicContact CD1-CD1 3.7Å; L208-V210 HydrophobicContact CD2-CG2 3.98Å; L208-V210 HydrophobicContact CG-CG2 3.87Å; L208-V210 PolarHBondContact O-N 3.5Å; L208-V241 HydrophobicContact CD2-CG1 4.15Å; L208-V241 HydrophobicContact CD2-CG2 3.67Å; L208-I258 HydrophobicContact CB-CG2 4.2Å; L208-Q259 PolarHBondContact N-O 2.99Å; L208-V260 CarbonylContact O-C 3.6Å; L208-V260 WeakPolarHBondContact O-CA 3.43Å; L208-R261 PolarHBondContact O-N 2.98Å
209	N	86.9	Confident	83.7	Confident	81 Å²	81	52.5 Å²	52.5	43%	0.433	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	124.3	171.9	-66.5	-47.7	0	0	0	110.2	R261 F263 H420	N209-R261 WeakPolarHBondContact OD1-CB 3.5Å; N209-F263 HydrophobicContact CB-CD1 4.19Å; N209-F263 HydrophobicContact CB-CE1 3.91Å; N209-H420 PolarHBondContact OD1-ND1 3.48Å; N209-H420 VanDerWaalsContact OD1-ND1 3.11Å
210	V	87	Confident	84	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.6	-176.4	179.3	0	0	0	0	110.9	F169 Y193 L208 C212 I215 V260 R261 P262 F263	F169-V210 HydrophobicContact CE1-CG1 4.31Å; Y193-V210 HydrophobicContact CD1-CG2 4.45Å; Y193-V210 HydrophobicContact CE1-CB 4.37Å; Y193-V210 HydrophobicContact CE1-CG1 4.13Å; Y193-V210 HydrophobicContact CE1-CG2 4.01Å; L208-V210 HydrophobicContact CD2-CG2 3.98Å; L208-V210 HydrophobicContact CG-CG2 3.87Å; L208-V210 PolarHBondContact O-N 3.5Å; V210-C212 PolarHBondContact O-N 2.94Å; V210-I215 HydrophobicContact CG1-CD1 3.89Å; V210-I215 HydrophobicContact CG1-CG1 4.11Å; V210-V260 HydrophobicContact CB-CG2 4.14Å; V210-V260 HydrophobicContact CG2-CG2 3.58Å; V210-R261 PolarHBondContact N-O 2.93Å; V210-P262 CarbonylContact O-C 3.55Å; V210-P262 WeakPolarHBondContact O-CA 3.46Å; V210-F263 VanDerWaalsContact C-CD1 3.43Å; V210-F263 VanDerWaalsContact C-CE1 3.42Å; V210-F263 VanDerWaalsContact O-CD1 3.32Å; V210-F263 WeakPolarHBondContact O-CD1 3.23Å; V210-F263 PolarHBondContact O-N 3.23Å
211	N	85.8	Confident	84.2	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.107	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	119.1	173	-175.7	2.8	0	0	0	110.4	E213 H214 F263 N264	N211-E213 PolarHBondContact O-N 2.98Å; N211-E213 VanDerWaalsContact OD1-CB 3.29Å; N211-E213 WeakPolarHBondContact OD1-CB 3.5Å; N211-E213 PolarHBondContact OD1-N 3.4Å; N211-H214 PolarHBondContact ND2-CD2 3.03Å; N211-H214 PolarHBondContact ND2-NE2 3.41Å; N211-H214 WeakPolarHBondContact O-CB 3.39Å; N211-H214 PolarHBondContact O-N 3.48Å; N211-H214 VanDerWaalsContact O-N 3.09Å; N211-F263 HydrophobicContact CB-CE1 4.21Å; N211-F263 HydrophobicContact CB-CE2 4.14Å; N211-F263 HydrophobicContact CB-CZ 3.83Å; N211-N264 WeakPolarHBondContact OD1-CB 3.36Å; N211-N264 PolarHBondContact OD1-ND2 3.04Å
212	C	82.3	Confident	84.4	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-23.5	178.3	-66.4	0	0	0	0	112.7	V210 H214 I215 K216 Y223 F263 A265	V210-C212 PolarHBondContact O-N 2.94Å; C212-H214 VanDerWaalsContact C-N 3.32Å; C212-I215 PolarHBondContact O-N 2.82Å; C212-K216 PolarHBondContact O-N 3.42Å; C212-Y223 HydrophobicContact CB-CD2 4.27Å; C212-Y223 HydrophobicContact CB-CE2 3.89Å; C212-Y223 WeakPolarHBondContact O-CD2 3.39Å; C212-Y223 WeakPolarHBondContact O-CE2 3.37Å; C212-F263 WeakPolarHBondContact CB-O 3.5Å; C212-F263 PolarHBondContact N-O 2.86Å; C212-F263 PolarHBondContact SG-O 2.91Å; C212-A265 HydrophobicContact CB-CB 4.44Å
213	E	83.8	Confident	84.6	Confident	85 Å²	85	53 Å²	53	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-34.6	174	-175.4	158.1	-140.5	0	0	112.9	N211 K216 S217 N264	N211-E213 PolarHBondContact O-N 2.98Å; N211-E213 VanDerWaalsContact OD1-CB 3.29Å; N211-E213 WeakPolarHBondContact OD1-CB 3.5Å; N211-E213 PolarHBondContact OD1-N 3.4Å; E213-K216 WeakPolarHBondContact O-CB 2.96Å; E213-K216 PolarHBondContact O-N 3.43Å; E213-S217 PolarHBondContact O-N 3.07Å; E213-N264 PolarHBondContact OE2-ND2 3.38Å
214	H	85.5	Confident	85	Confident	33 Å²	33	55.4 Å²	55.4	15%	0.153	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-44.6	177.1	-62.3	-168	0	0	0	109.4	F169 F173 D175 Y193 N211 C212 K216 S217 F218	F169-H214 HydrophobicContact CE2-CB 4.13Å; F169-H214 HydrophobicContact CZ-CB 3.91Å; F173-H214 HydrophobicContact CD2-CB 4.42Å; F173-H214 HydrophobicContact CE1-CB 3.9Å; F173-H214 AromaticContact CE1-CG 3.71Å; F173-H214 AromaticContact CE1-ND1 3.32Å; F173-H214 VanDerWaalsContact CE1-ND1 3.32Å; F173-H214 WeakPolarHBondContact CE1-ND1 3.49Å; F173-H214 HydrophobicContact CE2-CB 3.8Å; F173-H214 HydrophobicContact CZ-CB 3.5Å; F173-H214 AromaticContact CZ-CG 3.49Å; F173-H214 VanDerWaalsContact CZ-CG 3.49Å; F173-H214 AromaticContact CZ-ND1 3.61Å; D175-H214 IonicContact OD2-CE1 2.73Å; Y193-H214 HydrophobicContact CE2-CB 4.49Å; Y193-H214 AromaticContact CZ-ND1 3.87Å; Y193-H214 WeakPolarHBondContact OH-CB 3.44Å; Y193-H214 PolarHBondContact OH-ND1 3.23Å; N211-H214 PolarHBondContact ND2-CD2 3.03Å; N211-H214 PolarHBondContact ND2-NE2 3.41Å; N211-H214 WeakPolarHBondContact O-CB 3.39Å; N211-H214 PolarHBondContact O-N 3.48Å; N211-H214 VanDerWaalsContact O-N 3.09Å; C212-H214 VanDerWaalsContact C-N 3.32Å; H214-K216 VanDerWaalsContact C-N 3.34Å; H214-K216 PolarHBondContact O-N 3.33Å; H214-S217 PolarHBondContact O-N 2.85Å; H214-S217 PolarHBondContact O-OG 3.22Å; H214-F218 PolarHBondContact O-N 3.05Å
215	I	84.4	Confident	85.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-56.7	-47.6	173	-54.8	176.3	0	0	0	110.3	F166 F169 V210 C212 S217 F218 D219 L222 L226 F237	F166-I215 HydrophobicContact CE2-CD1 4.19Å; F169-I215 HydrophobicContact CD1-CG1 4.5Å; F169-I215 HydrophobicContact CE1-CG1 3.81Å; F169-I215 HydrophobicContact CE2-CG1 4.37Å; F169-I215 HydrophobicContact CZ-CB 4.46Å; F169-I215 HydrophobicContact CZ-CG1 3.72Å; V210-I215 HydrophobicContact CG1-CD1 3.89Å; V210-I215 HydrophobicContact CG1-CG1 4.11Å; C212-I215 PolarHBondContact O-N 2.82Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 3.46Å; I215-F218 PolarHBondContact O-N 3.11Å; I215-F218 VanDerWaalsContact O-N 3.17Å; I215-D219 CarbonylContact O-C 3.46Å; I215-D219 PolarHBondContact O-N 3.37Å; I215-L222 HydrophobicContact CG2-CB 4.29Å; I215-L222 HydrophobicContact CG2-CD2 4.05Å; I215-L222 HydrophobicContact CG2-CG 4.14Å; I215-L226 HydrophobicContact CD1-CD2 3.8Å; I215-F237 HydrophobicContact CD1-CE2 4.04Å; I215-F237 HydrophobicContact CD1-CZ 4.49Å
216	K	84.6	Confident	85.9	Confident	77 Å²	77	49 Å²	49	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-58.8	-34.5	179.1	-175.2	-167.3	165	-152.7	0	113.5	C212 E213 H214 K220 Y223 L266	C212-K216 PolarHBondContact O-N 3.42Å; E213-K216 WeakPolarHBondContact O-CB 2.96Å; E213-K216 PolarHBondContact O-N 3.43Å; H214-K216 VanDerWaalsContact C-N 3.34Å; H214-K216 PolarHBondContact O-N 3.33Å; K216-K220 WeakPolarHBondContact O-CG 3.31Å; K216-Y223 HydrophobicContact CB-CD1 4.19Å; K216-Y223 HydrophobicContact CB-CD2 3.59Å; K216-Y223 HydrophobicContact CB-CE1 4.48Å; K216-Y223 HydrophobicContact CB-CE2 3.89Å; K216-Y223 HydrophobicContact CB-CG 3.73Å; K216-Y223 HydrophobicContact CD-CE1 4.16Å; K216-Y223 HydrophobicContact CD-CE2 4.4Å; K216-Y223 HydrophobicContact CG-CD1 3.99Å; K216-Y223 HydrophobicContact CG-CD2 4.27Å; K216-Y223 HydrophobicContact CG-CE1 4.14Å; K216-Y223 HydrophobicContact CG-CE2 4.38Å; K216-Y223 HydrophobicContact CG-CG 4.05Å; K216-L266 HydrophobicContact CD-CD1 3.58Å
217	S	84.8	Confident	86.1	Confident	84 Å²	84	48.5 Å²	48.5	59%	0.587	23%	0.23	S	C	*	.	H	α-helix	trans	-70.7	-34.8	179.2	76.7	0	0	0	0	112.3	E213 H214 I215	E213-S217 PolarHBondContact O-N 3.07Å; H214-S217 PolarHBondContact O-N 2.85Å; H214-S217 PolarHBondContact O-OG 3.22Å; I215-S217 VanDerWaalsContact C-N 3.27Å; I215-S217 PolarHBondContact O-N 3.46Å
218	F	82.9	Confident	86.3	Confident	89 Å²	89	48.5 Å²	48.5	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-86.1	-52.9	-179.5	-174.9	-93.4	0	0	0	112.8	R168 F169 R172 H214 I215	R168-F218 HydrophobicContact CB-CZ 4.47Å; F169-F218 HydrophobicContact CB-CD1 3.75Å; F169-F218 HydrophobicContact CB-CE1 3.77Å; F169-F218 HydrophobicContact CB-CG 4.33Å; F169-F218 HydrophobicContact CB-CZ 4.36Å; F169-F218 HydrophobicContact CD2-CB 3.7Å; F169-F218 AromaticContact CD2-CD1 3.99Å; F169-F218 HydrophobicContact CD2-CD1 3.99Å; F169-F218 HydrophobicContact CD2-CD2 4.39Å; F169-F218 AromaticContact CD2-CG 3.8Å; F169-F218 HydrophobicContact CD2-CG 3.8Å; F169-F218 HydrophobicContact CE2-CB 4.22Å; F169-F218 HydrophobicContact CG-CD1 4.35Å; R172-F218 HydrophobicContact CB-CE2 4.19Å; H214-F218 PolarHBondContact O-N 3.05Å; I215-F218 PolarHBondContact O-N 3.11Å; I215-F218 VanDerWaalsContact O-N 3.17Å
219	D	84.9	Confident	86.4	Confident	26 Å²	26	51.5 Å²	51.5	14%	0.139	25%	0.247	C	C	.	.			trans	-138.9	111.9	177.8	-174.2	1.4	0	0	0	112.4	N165 I215 N221 L222 Y223	N165-D219 PolarHBondContact ND2-OD2 3.35Å; N165-D219 VanDerWaalsContact ND2-OD2 3.07Å; I215-D219 CarbonylContact O-C 3.46Å; I215-D219 PolarHBondContact O-N 3.37Å; D219-N221 VanDerWaalsContact C-N 3.31Å; D219-N221 PolarHBondContact O-N 2.98Å; D219-N221 WeakPolarHBondContact OD1-CB 3.39Å; D219-N221 PolarHBondContact OD1-N 2.82Å; D219-L222 HydrophobicContact CB-CB 3.96Å; D219-L222 PolarHBondContact OD1-N 3.37Å; D219-L222 WeakPolarHBondContact OD2-CB 3.38Å; D219-Y223 PolarHBondContact O-N 2.81Å
220	K	87.2	Confident	86.5	Confident	142 Å²	142	47.7 Å²	47.7	62%	0.617	23%	0.227	S	C	*	.	H	α-helix	trans	-72.9	-21.1	178.3	-64.7	172	-174.9	169.3	0	113.1	K216 R224	K216-K220 WeakPolarHBondContact O-CG 3.31Å; K220-R224 WeakPolarHBondContact O-CD 3.3Å; K220-R224 VanDerWaalsContact O-CG 3.25Å; K220-R224 WeakPolarHBondContact O-CG 3.36Å; K220-R224 PolarHBondContact O-N 3.08Å
221	N	88.4	Confident	86.4	Confident	93 Å²	93	49.6 Å²	49.6	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-80.1	-46.1	177.5	-65.6	-26.3	0	0	0	110.4	D219 Y223 R224 Q225	D219-N221 VanDerWaalsContact C-N 3.31Å; D219-N221 PolarHBondContact O-N 2.98Å; D219-N221 WeakPolarHBondContact OD1-CB 3.39Å; D219-N221 PolarHBondContact OD1-N 2.82Å; N221-Y223 VanDerWaalsContact C-N 3.29Å; N221-Y223 PolarHBondContact O-N 3.07Å; N221-R224 WeakPolarHBondContact O-CB 3.38Å; N221-R224 PolarHBondContact O-N 2.75Å; N221-R224 PolarHBondContact OD1-NH1 2.7Å; N221-R224 VanDerWaalsContact OD1-NH1 3.15Å; N221-Q225 PolarHBondContact O-N 3.14Å
222	L	86.4	Confident	86.4	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-43.2	172.7	-167.9	61.5	0	0	0	111.9	C162 N165 F166 I215 D219 R224 Q225 L226 F237	C162-L222 HydrophobicContact CB-CD1 4.39Å; C162-L222 VanDerWaalsContact SG-CD1 3.53Å; N165-L222 HydrophobicContact CB-CD2 4.29Å; F166-L222 HydrophobicContact CB-CD2 4.14Å; F166-L222 HydrophobicContact CD2-CD2 4.17Å; I215-L222 HydrophobicContact CG2-CB 4.29Å; I215-L222 HydrophobicContact CG2-CD2 4.05Å; I215-L222 HydrophobicContact CG2-CG 4.14Å; D219-L222 HydrophobicContact CB-CB 3.96Å; D219-L222 PolarHBondContact OD1-N 3.37Å; D219-L222 WeakPolarHBondContact OD2-CB 3.38Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.24Å; L222-Q225 PolarHBondContact O-N 3.03Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 2.79Å; L222-F237 HydrophobicContact CD1-CE1 3.96Å; L222-F237 HydrophobicContact CD1-CZ 4.14Å; L222-F237 HydrophobicContact CD2-CE1 4.29Å; L222-F237 HydrophobicContact CD2-CZ 4.22Å; L222-F237 HydrophobicContact CG-CE1 4.3Å; L222-F237 HydrophobicContact CG-CZ 4.07Å
223	Y	88	Confident	86.8	Confident	26 Å²	26	50.4 Å²	50.4	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-34.4	174.4	177.6	-96.5	0	0	0	113.7	C212 K216 D219 N221 I227 L266	C212-Y223 HydrophobicContact CB-CD2 4.27Å; C212-Y223 HydrophobicContact CB-CE2 3.89Å; C212-Y223 WeakPolarHBondContact O-CD2 3.39Å; C212-Y223 WeakPolarHBondContact O-CE2 3.37Å; K216-Y223 HydrophobicContact CB-CD1 4.19Å; K216-Y223 HydrophobicContact CB-CD2 3.59Å; K216-Y223 HydrophobicContact CB-CE1 4.48Å; K216-Y223 HydrophobicContact CB-CE2 3.89Å; K216-Y223 HydrophobicContact CB-CG 3.73Å; K216-Y223 HydrophobicContact CD-CE1 4.16Å; K216-Y223 HydrophobicContact CD-CE2 4.4Å; K216-Y223 HydrophobicContact CG-CD1 3.99Å; K216-Y223 HydrophobicContact CG-CD2 4.27Å; K216-Y223 HydrophobicContact CG-CE1 4.14Å; K216-Y223 HydrophobicContact CG-CE2 4.38Å; K216-Y223 HydrophobicContact CG-CG 4.05Å; D219-Y223 PolarHBondContact O-N 2.81Å; N221-Y223 VanDerWaalsContact C-N 3.29Å; N221-Y223 PolarHBondContact O-N 3.07Å; Y223-I227 HydrophobicContact CD1-CD1 4.07Å; Y223-I227 HydrophobicContact CE1-CD1 3.46Å; Y223-I227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-I227 HydrophobicContact CE2-CD1 4.05Å; Y223-I227 VanDerWaalsContact CZ-CD1 3.45Å; Y223-I227 WeakPolarHBondContact O-CG1 3.15Å; Y223-I227 PolarHBondContact O-N 3.47Å; Y223-L266 WeakPolarHBondContact OH-CB 3.32Å; Y223-L266 PolarHBondContact OH-N 2.85Å
224	R	88.3	Confident	87	Confident	165 Å²	165	46.4 Å²	46.4	62%	0.623	22%	0.22	S	C	*	.	H	α-helix	trans	-67.3	-50.5	174.5	-76.8	162	170.9	166.7	-8.6	111	K220 N221 L222 L226 I227 S228	K220-R224 WeakPolarHBondContact O-CD 3.3Å; K220-R224 VanDerWaalsContact O-CG 3.25Å; K220-R224 WeakPolarHBondContact O-CG 3.36Å; K220-R224 PolarHBondContact O-N 3.08Å; N221-R224 WeakPolarHBondContact O-CB 3.38Å; N221-R224 PolarHBondContact O-N 2.75Å; N221-R224 PolarHBondContact OD1-NH1 2.7Å; N221-R224 VanDerWaalsContact OD1-NH1 3.15Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 3.24Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 3.19Å; R224-I227 PolarHBondContact O-N 3.36Å; R224-S228 PolarHBondContact O-N 2.88Å; R224-S228 PolarHBondContact O-OG 3.29Å
225	Q	87.8	Confident	87.2	Confident	34 Å²	34	47 Å²	47	16%	0.159	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-37	-179.6	-69.9	-177.5	-36	0	0	111.9	D156 V157 N221 L222 I227 S228 Y229 V233	D156-Q225 PolarHBondContact O-NE2 2.73Å; D156-Q225 PolarHBondContact OD1-NE2 3.41Å; D156-Q225 VanDerWaalsContact OD1-NE2 3.12Å; V157-Q225 HydrophobicContact CG2-CB 4.21Å; V157-Q225 HydrophobicContact CG2-CG 4.11Å; N221-Q225 PolarHBondContact O-N 3.14Å; L222-Q225 PolarHBondContact O-N 3.03Å; Q225-I227 VanDerWaalsContact C-N 3.3Å; Q225-I227 PolarHBondContact O-N 3.42Å; Q225-S228 PolarHBondContact O-OG 3.08Å; Q225-Y229 CarbonylContact O-C 3.45Å; Q225-Y229 WeakPolarHBondContact O-CA 3.5Å; Q225-Y229 PolarHBondContact O-N 2.9Å; Q225-V233 HydrophobicContact CB-CG2 4.26Å
226	L	88.7	Confident	87.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-33.2	173.3	179.9	62.7	0	0	0	113.4	I215 L222 R224 P230 V233 I234 F237 P262 L282	I215-L226 HydrophobicContact CD1-CD2 3.8Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 2.79Å; R224-L226 VanDerWaalsContact C-N 3.29Å; R224-L226 PolarHBondContact O-N 3.19Å; L226-P230 WeakPolarHBondContact O-CA 3.48Å; L226-P230 WeakPolarHBondContact O-CB 3.41Å; L226-V233 HydrophobicContact CB-CG1 4.18Å; L226-V233 HydrophobicContact CD1-CB 4.25Å; L226-V233 HydrophobicContact CD1-CG1 3.79Å; L226-I234 HydrophobicContact CD1-CG1 4.17Å; L226-F237 HydrophobicContact CD1-CE2 3.91Å; L226-F237 HydrophobicContact CD1-CZ 4.49Å; L226-F237 HydrophobicContact CD2-CE2 4.08Å; L226-P262 HydrophobicContact CD2-CB 4.35Å; L226-L282 HydrophobicContact CG-CD2 4.43Å
227	I	88.3	Confident	87.6	Confident	13 Å²	13	43.5 Å²	43.5	7%	0.067	21%	0.212	C	C	.	.	H	α-helix	trans	-81.6	-39.8	179.2	-71	174.5	0	0	0	111.8	Y223 R224 Q225 A265 K267 Q281 L282	Y223-I227 HydrophobicContact CD1-CD1 4.07Å; Y223-I227 HydrophobicContact CE1-CD1 3.46Å; Y223-I227 VanDerWaalsContact CE1-CD1 3.46Å; Y223-I227 HydrophobicContact CE2-CD1 4.05Å; Y223-I227 VanDerWaalsContact CZ-CD1 3.45Å; Y223-I227 WeakPolarHBondContact O-CG1 3.15Å; Y223-I227 PolarHBondContact O-N 3.47Å; R224-I227 PolarHBondContact O-N 3.36Å; Q225-I227 VanDerWaalsContact C-N 3.3Å; Q225-I227 PolarHBondContact O-N 3.42Å; I227-A265 HydrophobicContact CD1-CB 4.45Å; I227-K267 HydrophobicContact CG2-CD 3.95Å; I227-Q281 VanDerWaalsContact O-CA 3.29Å; I227-Q281 WeakPolarHBondContact O-CA 3.4Å; I227-Q281 WeakPolarHBondContact O-CB 3.34Å; I227-L282 PolarHBondContact O-N 3.42Å; I227-L282 VanDerWaalsContact O-N 3.08Å
228	S	87.7	Confident	87.7	Confident	42 Å²	42	40.2 Å²	40.2	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-80.2	-33.6	-178.9	57.7	0	0	0	0	113.6	R224 Q225 P230	R224-S228 PolarHBondContact O-N 2.88Å; R224-S228 PolarHBondContact O-OG 3.29Å; Q225-S228 PolarHBondContact O-OG 3.08Å; S228-P230 VanDerWaalsContact C-CD 3.45Å
229	Y	90.1	Very high	87.9	Confident	67 Å²	67	39.5 Å²	39.5	26%	0.263	19%	0.186	S	C	.	.			trans	-132.8	50.2	-173.4	-53.3	-60.2	0	0	0	112.9	T155 V157 Q225 Q231 E232 V233	T155-Y229 HydrophobicContact CG2-CD1 3.4Å; T155-Y229 VanDerWaalsContact CG2-CD1 3.4Å; T155-Y229 HydrophobicContact CG2-CD2 4.14Å; T155-Y229 HydrophobicContact CG2-CE1 3.43Å; T155-Y229 VanDerWaalsContact CG2-CE1 3.43Å; T155-Y229 HydrophobicContact CG2-CE2 4.18Å; T155-Y229 HydrophobicContact CG2-CG 3.76Å; V157-Y229 HydrophobicContact CG2-CD2 3.6Å; V157-Y229 HydrophobicContact CG2-CE2 4.33Å; V157-Y229 HydrophobicContact CG2-CG 4.27Å; Q225-Y229 CarbonylContact O-C 3.45Å; Q225-Y229 WeakPolarHBondContact O-CA 3.5Å; Q225-Y229 PolarHBondContact O-N 2.9Å; Y229-Q231 PolarHBondContact O-N 3.08Å; Y229-Q231 VanDerWaalsContact O-N 3.13Å; Y229-E232 PolarHBondContact O-N 3.46Å; Y229-E232 VanDerWaalsContact O-N 3.08Å; Y229-V233 WeakPolarHBondContact O-CG2 3.2Å; Y229-V233 PolarHBondContact O-N 3.43Å; Y229-V233 VanDerWaalsContact O-N 3.14Å
230	P	89.3	Confident	88.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.9	-35.8	-175.6	22.5	-33.9	0	0	0	113.1	L226 S228 E232 V233 I234 D280 L282 I393	L226-P230 WeakPolarHBondContact O-CA 3.48Å; L226-P230 WeakPolarHBondContact O-CB 3.41Å; S228-P230 VanDerWaalsContact C-CD 3.45Å; P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 PolarHBondContact O-N 2.89Å; P230-V233 PolarHBondContact O-N 2.94Å; P230-I234 HydrophobicContact CB-CD1 4.05Å; P230-I234 VanDerWaalsContact O-CB 3.29Å; P230-I234 WeakPolarHBondContact O-CB 3.33Å; P230-I234 WeakPolarHBondContact O-CD1 3.35Å; P230-I234 WeakPolarHBondContact O-CG1 3.45Å; P230-I234 PolarHBondContact O-N 3.41Å; P230-D280 WeakPolarHBondContact CD-O 3.34Å; P230-D280 WeakPolarHBondContact CG-O 3.15Å; P230-L282 HydrophobicContact CB-CB 4.29Å; P230-L282 HydrophobicContact CG-CB 4.27Å; P230-I393 HydrophobicContact CB-CD1 4.07Å; P230-I393 HydrophobicContact CB-CG1 4.23Å; P230-I393 HydrophobicContact CG-CD1 3.88Å; P230-I393 HydrophobicContact CG-CG1 3.89Å
231	Q	85.6	Confident	88.1	Confident	41 Å²	41	31.5 Å²	31.5	19%	0.192	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-21	-178.9	66.7	-166.2	0.5	0	0	114.8	Y229 P235 I393	Y229-Q231 PolarHBondContact O-N 3.08Å; Y229-Q231 VanDerWaalsContact O-N 3.13Å; Q231-P235 VanDerWaalsContact O-CD 3.31Å; Q231-P235 WeakPolarHBondContact O-CD 3.12Å; Q231-P235 WeakPolarHBondContact O-CG 3.13Å; Q231-I393 HydrophobicContact CB-CD1 4.42Å
232	E	86.1	Confident	88	Confident	38 Å²	38	28 Å²	28	18%	0.178	13%	0.132	C	C	.	.	H	α-helix	trans	-98.8	-34.7	175.4	-66.1	177.7	-172.5	0	0	111.7	I152 T155 Y229 P230 T236	I152-E232 HydrophobicContact CD1-CB 4.23Å; I152-E232 HydrophobicContact CD1-CG 4.11Å; I152-E232 WeakPolarHBondContact CD1-OE2 3.38Å; I152-E232 WeakPolarHBondContact CG2-OE1 3.26Å; T155-E232 WeakPolarHBondContact CG2-OE1 3.38Å; T155-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T155-E232 PolarHBondContact OG1-OE2 3.41Å; Y229-E232 PolarHBondContact O-N 3.46Å; Y229-E232 VanDerWaalsContact O-N 3.08Å; P230-E232 VanDerWaalsContact C-N 3.27Å; P230-E232 PolarHBondContact O-N 2.89Å; E232-T236 PolarHBondContact O-OG1 2.86Å
233	V	89.1	Confident	87.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-76.5	-38.2	-177.8	177.3	0	0	0	0	112.2	V157 Q225 L226 Y229 P230 T236 F237	V157-V233 HydrophobicContact CG1-CG2 4.43Å; Q225-V233 HydrophobicContact CB-CG2 4.26Å; L226-V233 HydrophobicContact CB-CG1 4.18Å; L226-V233 HydrophobicContact CD1-CB 4.25Å; L226-V233 HydrophobicContact CD1-CG1 3.79Å; Y229-V233 WeakPolarHBondContact O-CG2 3.2Å; Y229-V233 PolarHBondContact O-N 3.43Å; Y229-V233 VanDerWaalsContact O-N 3.14Å; P230-V233 PolarHBondContact O-N 2.94Å; V233-T236 WeakPolarHBondContact O-CA 3.18Å; V233-T236 VanDerWaalsContact O-CB 3.31Å; V233-T236 WeakPolarHBondContact O-CB 3.4Å; V233-T236 PolarHBondContact O-N 3.04Å; V233-T236 VanDerWaalsContact O-N 3.13Å; V233-F237 HydrophobicContact CG1-CD1 4.02Å; V233-F237 HydrophobicContact CG1-CD2 4.34Å; V233-F237 HydrophobicContact CG1-CE1 3.47Å; V233-F237 VanDerWaalsContact CG1-CE1 3.47Å; V233-F237 HydrophobicContact CG1-CE2 3.85Å; V233-F237 HydrophobicContact CG1-CG 4.43Å; V233-F237 HydrophobicContact CG1-CZ 3.38Å; V233-F237 PolarHBondContact O-N 3.41Å
234	I	89.3	Confident	87.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-45.5	-178.4	-69.1	168	0	0	0	112.7	R115 L118 L226 P230 T236 F237 D238 V260 P262 I419	R115-I234 VanDerWaalsContact NH2-CG2 3.32Å; L118-I234 HydrophobicContact CD1-CB 3.89Å; L118-I234 HydrophobicContact CD1-CG2 3.77Å; L118-I234 HydrophobicContact CD2-CD1 4.38Å; L226-I234 HydrophobicContact CD1-CG1 4.17Å; P230-I234 HydrophobicContact CB-CD1 4.05Å; P230-I234 VanDerWaalsContact O-CB 3.29Å; P230-I234 WeakPolarHBondContact O-CB 3.33Å; P230-I234 WeakPolarHBondContact O-CD1 3.35Å; P230-I234 WeakPolarHBondContact O-CG1 3.45Å; P230-I234 PolarHBondContact O-N 3.41Å; I234-T236 VanDerWaalsContact C-N 3.26Å; I234-T236 PolarHBondContact O-N 2.88Å; I234-F237 WeakPolarHBondContact O-CB 3.41Å; I234-F237 PolarHBondContact O-N 3.39Å; I234-F237 VanDerWaalsContact O-N 3.16Å; I234-D238 PolarHBondContact O-N 2.97Å; I234-V260 HydrophobicContact CG2-CG1 3.84Å; I234-P262 HydrophobicContact CD1-CG 3.84Å; I234-P262 HydrophobicContact CG1-CG 4.03Å; I234-I419 HydrophobicContact CD1-CD1 3.59Å; I234-I419 HydrophobicContact CD1-CG1 4.43Å
235	P	89	Confident	87.5	Confident	45 Å²	45	22.6 Å²	22.6	29%	0.292	12%	0.115	S	C	.	.	H	α-helix	trans	-62.7	-32.4	172.6	-23.5	35.1	0	0	0	113	L118 Q231 F237 D238 M239	L118-P235 HydrophobicContact CD1-CG 3.7Å; Q231-P235 VanDerWaalsContact O-CD 3.31Å; Q231-P235 WeakPolarHBondContact O-CD 3.12Å; Q231-P235 WeakPolarHBondContact O-CG 3.13Å; P235-F237 VanDerWaalsContact C-N 3.32Å; P235-D238 PolarHBondContact O-N 2.79Å; P235-M239 WeakPolarHBondContact O-CG 3.45Å; P235-M239 PolarHBondContact O-N 3.05Å
236	T	88.4	Confident	87.2	Confident	6 Å²	6	24.1 Å²	24.1	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-65.8	-36.6	175.6	-56	0	0	0	0	111.3	V159 C162 K163 E232 V233 I234 A240	V159-T236 HydrophobicContact CG1-CG2 3.88Å; V159-T236 WeakPolarHBondContact O-CG2 3.48Å; C162-T236 HydrophobicContact CB-CG2 4.1Å; K163-T236 HydrophobicContact CB-CG2 3.79Å; E232-T236 PolarHBondContact O-OG1 2.86Å; V233-T236 WeakPolarHBondContact O-CA 3.18Å; V233-T236 VanDerWaalsContact O-CB 3.31Å; V233-T236 WeakPolarHBondContact O-CB 3.4Å; V233-T236 PolarHBondContact O-N 3.04Å; V233-T236 VanDerWaalsContact O-N 3.13Å; I234-T236 VanDerWaalsContact C-N 3.26Å; I234-T236 PolarHBondContact O-N 2.88Å; T236-A240 PolarHBondContact O-N 2.94Å; T236-A240 VanDerWaalsContact O-N 3.11Å
237	F	89.1	Confident	86.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-40.7	172.7	-70.4	-0.3	0	0	0	112.3	F166 I215 L222 L226 V233 I234 P235 M239 A240 V241 V260	F166-F237 HydrophobicContact CB-CD1 3.85Å; F166-F237 HydrophobicContact CB-CE1 3.74Å; F166-F237 HydrophobicContact CD1-CB 3.97Å; F166-F237 AromaticContact CD1-CD1 3.58Å; F166-F237 HydrophobicContact CD1-CD1 3.58Å; F166-F237 HydrophobicContact CD1-CD2 4.49Å; F166-F237 HydrophobicContact CD1-CE1 4.18Å; F166-F237 AromaticContact CD1-CG 3.76Å; F166-F237 HydrophobicContact CD1-CG 3.76Å; F166-F237 AromaticContact CD2-CD1 3.81Å; F166-F237 HydrophobicContact CD2-CD1 3.81Å; F166-F237 HydrophobicContact CD2-CD2 4.17Å; F166-F237 AromaticContact CD2-CE1 3.58Å; F166-F237 HydrophobicContact CD2-CE1 3.58Å; F166-F237 AromaticContact CD2-CE2 3.96Å; F166-F237 HydrophobicContact CD2-CE2 3.96Å; F166-F237 HydrophobicContact CD2-CG 4.1Å; F166-F237 AromaticContact CD2-CZ 3.66Å; F166-F237 HydrophobicContact CD2-CZ 3.66Å; F166-F237 HydrophobicContact CE1-CB 3.64Å; F166-F237 AromaticContact CE1-CD1 4Å; F166-F237 HydrophobicContact CE1-CD1 4Å; F166-F237 HydrophobicContact CE1-CD2 4.13Å; F166-F237 AromaticContact CE1-CG 3.66Å; F166-F237 HydrophobicContact CE1-CG 3.66Å; F166-F237 HydrophobicContact CE2-CD1 4.23Å; F166-F237 AromaticContact CE2-CD2 3.81Å; F166-F237 HydrophobicContact CE2-CD2 3.81Å; F166-F237 HydrophobicContact CE2-CE1 4.2Å; F166-F237 AromaticContact CE2-CE2 3.77Å; F166-F237 HydrophobicContact CE2-CE2 3.77Å; F166-F237 HydrophobicContact CE2-CG 4.04Å; F166-F237 AromaticContact CE2-CZ 3.98Å; F166-F237 HydrophobicContact CE2-CZ 3.98Å; F166-F237 AromaticContact CG-CD1 3.46Å; F166-F237 HydrophobicContact CG-CD1 3.46Å; F166-F237 VanDerWaalsContact CG-CD1 3.46Å; F166-F237 AromaticContact CG-CE1 3.57Å; F166-F237 HydrophobicContact CG-CE1 3.57Å; F166-F237 AromaticContact CG-CG 3.97Å; F166-F237 HydrophobicContact CG-CG 3.97Å; F166-F237 HydrophobicContact CG-CZ 4.15Å; F166-F237 HydrophobicContact CZ-CB 4.11Å; F166-F237 HydrophobicContact CZ-CD1 4.31Å; F166-F237 AromaticContact CZ-CD2 3.78Å; F166-F237 HydrophobicContact CZ-CD2 3.78Å; F166-F237 HydrophobicContact CZ-CE2 4.23Å; F166-F237 AromaticContact CZ-CG 3.82Å; F166-F237 HydrophobicContact CZ-CG 3.82Å; I215-F237 HydrophobicContact CD1-CE2 4.04Å; I215-F237 HydrophobicContact CD1-CZ 4.49Å; L222-F237 HydrophobicContact CD1-CE1 3.96Å; L222-F237 HydrophobicContact CD1-CZ 4.14Å; L222-F237 HydrophobicContact CD2-CE1 4.29Å; L222-F237 HydrophobicContact CD2-CZ 4.22Å; L222-F237 HydrophobicContact CG-CE1 4.3Å; L222-F237 HydrophobicContact CG-CZ 4.07Å; L226-F237 HydrophobicContact CD1-CE2 3.91Å; L226-F237 HydrophobicContact CD1-CZ 4.49Å; L226-F237 HydrophobicContact CD2-CE2 4.08Å; V233-F237 HydrophobicContact CG1-CD1 4.02Å; V233-F237 HydrophobicContact CG1-CD2 4.34Å; V233-F237 HydrophobicContact CG1-CE1 3.47Å; V233-F237 VanDerWaalsContact CG1-CE1 3.47Å; V233-F237 HydrophobicContact CG1-CE2 3.85Å; V233-F237 HydrophobicContact CG1-CG 4.43Å; V233-F237 HydrophobicContact CG1-CZ 3.38Å; V233-F237 PolarHBondContact O-N 3.41Å; I234-F237 WeakPolarHBondContact O-CB 3.41Å; I234-F237 PolarHBondContact O-N 3.39Å; I234-F237 VanDerWaalsContact O-N 3.16Å; P235-F237 VanDerWaalsContact C-N 3.32Å; F237-M239 VanDerWaalsContact C-N 3.31Å; F237-M239 PolarHBondContact O-N 3.46Å; F237-A240 WeakPolarHBondContact O-CB 3.35Å; F237-A240 PolarHBondContact O-N 3.48Å; F237-A240 VanDerWaalsContact O-N 3.15Å; F237-V241 WeakPolarHBondContact O-CG2 3.23Å; F237-V241 PolarHBondContact O-N 3.45Å; F237-V260 HydrophobicContact CB-CB 4.29Å; F237-V260 HydrophobicContact CB-CG1 3.69Å; F237-V260 HydrophobicContact CD2-CG1 4.25Å
238	D	88.1	Confident	86.3	Confident	15 Å²	15	34.3 Å²	34.3	8%	0.08	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-47.2	173.3	-68.7	-19.5	0	0	0	110.3	R115 I234 P235 A240 V241 N242 Q259 V260	R115-D238 IonicContact CZ-OD1 2.67Å; R115-D238 IonicContact CZ-OD2 3.78Å; R115-D238 VanDerWaalsContact CZ-OD2 3.3Å; R115-D238 IonicContact NE-OD2 3.8Å; R115-D238 PolarHBondContact NE-OD2 3.43Å; R115-D238 IonicContact NH2-OD1 2.98Å; R115-D238 PolarHBondContact NH2-OD1 3.44Å; R115-D238 IonicContact NH2-OD2 2.7Å; R115-D238 PolarHBondContact NH2-OD2 2.58Å; I234-D238 PolarHBondContact O-N 2.97Å; P235-D238 PolarHBondContact O-N 2.79Å; D238-A240 PolarHBondContact O-N 3Å; D238-V241 PolarHBondContact O-N 3.22Å; D238-N242 PolarHBondContact O-N 3.11Å; D238-N242 PolarHBondContact O-ND2 3.28Å; D238-Q259 WeakPolarHBondContact OD1-CA 3.24Å; D238-V260 WeakPolarHBondContact OD1-CG1 3.27Å; D238-V260 PolarHBondContact OD1-N 3.1Å
239	M	86.5	Confident	85.8	Confident	73 Å²	73	35.4 Å²	35.4	36%	0.36	17%	0.166	S	C	.	.	H	α-helix	trans	-59.3	-43	175.4	-69.5	175.8	67.1	0	0	112.8	V112 P235 F237 E243	V112-M239 HydrophobicContact CG2-SD 4.43Å; P235-M239 WeakPolarHBondContact O-CG 3.45Å; P235-M239 PolarHBondContact O-N 3.05Å; F237-M239 VanDerWaalsContact C-N 3.31Å; F237-M239 PolarHBondContact O-N 3.46Å; M239-E243 PolarHBondContact O-N 3.39Å
240	A	88.1	Confident	85.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-40.7	178.6	0	0	0	0	0	113.4	K163 F166 Q167 T236 F237 D238 I244	K163-A240 HydrophobicContact CG-CB 3.99Å; F166-A240 HydrophobicContact CD1-CB 3.79Å; Q167-A240 HydrophobicContact CG-CB 3.76Å; T236-A240 PolarHBondContact O-N 2.94Å; T236-A240 VanDerWaalsContact O-N 3.11Å; F237-A240 WeakPolarHBondContact O-CB 3.35Å; F237-A240 PolarHBondContact O-N 3.48Å; F237-A240 VanDerWaalsContact O-N 3.15Å; D238-A240 PolarHBondContact O-N 3Å; A240-I244 PolarHBondContact O-N 3.45Å
241	V	87.8	Confident	84	Confident	1 Å²	1	43 Å²	43	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-46.2	178.3	175.1	0	0	0	0	111	F166 L170 L197 L208 F237 D238 E243 I244 F245 I258	F166-V241 HydrophobicContact CE1-CG2 3.98Å; L170-V241 HydrophobicContact CD1-CG2 3.94Å; L197-V241 HydrophobicContact CD1-CG1 3.93Å; L208-V241 HydrophobicContact CD2-CG1 4.15Å; L208-V241 HydrophobicContact CD2-CG2 3.67Å; F237-V241 WeakPolarHBondContact O-CG2 3.23Å; F237-V241 PolarHBondContact O-N 3.45Å; D238-V241 PolarHBondContact O-N 3.22Å; V241-E243 VanDerWaalsContact C-N 3.28Å; V241-E243 PolarHBondContact O-N 3.23Å; V241-I244 PolarHBondContact O-N 3.28Å; V241-F245 WeakPolarHBondContact O-CB 3.39Å; V241-F245 PolarHBondContact O-N 2.95Å; V241-I258 HydrophobicContact CG1-CB 4.01Å; V241-I258 HydrophobicContact CG1-CD1 4.24Å; V241-I258 HydrophobicContact CG1-CG2 3.68Å
242	N	85.5	Confident	83.1	Confident	19 Å²	19	42.7 Å²	42.7	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-33.7	-179.1	-74.2	-76.5	0	0	0	111.8	D238 F246 I258	D238-N242 PolarHBondContact O-N 3.11Å; D238-N242 PolarHBondContact O-ND2 3.28Å; N242-F246 WeakPolarHBondContact O-CD2 3.49Å; N242-F246 PolarHBondContact O-N 3.4Å; N242-I258 PolarHBondContact ND2-O 3.34Å; N242-I258 PolarHBondContact OD1-N 3.08Å
243	E	85.9	Confident	82	Confident	69 Å²	69	48 Å²	48	32%	0.322	25%	0.246	S	C	.	.	H	α-helix	trans	-66.1	-49.9	171.9	-78.1	179.6	-172.7	0	0	113	K163 Q167 M239 V241 F245 F246 D247	K163-E243 VanDerWaalsContact CE-CD 3.43Å; K163-E243 WeakPolarHBondContact CE-OE1 3.24Å; K163-E243 WeakPolarHBondContact CE-OE2 3.45Å; K163-E243 IonicContact NZ-OE1 3.48Å; K163-E243 PolarHBondContact NZ-OE1 3.03Å; K163-E243 IonicContact NZ-OE2 3.99Å; K163-E243 PolarHBondContact NZ-OE2 2.73Å; Q167-E243 PolarHBondContact NE2-OE2 2.87Å; M239-E243 PolarHBondContact O-N 3.39Å; V241-E243 VanDerWaalsContact C-N 3.28Å; V241-E243 PolarHBondContact O-N 3.23Å; E243-F245 PolarHBondContact O-N 3.47Å; E243-F246 PolarHBondContact O-N 3.11Å; E243-F246 VanDerWaalsContact O-N 3.1Å; E243-D247 PolarHBondContact O-N 3.34Å
244	I	84.4	Confident	80.8	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-35	177.1	-71.2	172.1	0	0	0	111	Q167 L170 Q171 M194 L197 A240 V241 R248	Q167-I244 HydrophobicContact CB-CD1 4.06Å; Q167-I244 HydrophobicContact CG-CD1 3.92Å; Q167-I244 HydrophobicContact CG-CG1 4.36Å; L170-I244 HydrophobicContact CB-CD1 4.08Å; L170-I244 HydrophobicContact CD1-CD1 3.81Å; Q171-I244 HydrophobicContact CG-CD1 4.35Å; M194-I244 HydrophobicContact CE-CG2 4.04Å; M194-I244 HydrophobicContact SD-CG2 3.81Å; L197-I244 HydrophobicContact CD2-CG2 3.81Å; A240-I244 PolarHBondContact O-N 3.45Å; V241-I244 PolarHBondContact O-N 3.28Å; I244-R248 PolarHBondContact O-N 3.17Å; I244-R248 VanDerWaalsContact O-N 3.09Å
245	F	82.9	Confident	79.5	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-50.8	173.6	-171.3	-88.1	0	0	0	112.1	L197 N201 V241 E243 D247 R248 Y249 L254 I258	L197-F245 HydrophobicContact CD1-CD2 4.01Å; L197-F245 HydrophobicContact CD2-CB 4.38Å; L197-F245 HydrophobicContact CD2-CD2 4.42Å; L197-F245 HydrophobicContact CG-CD2 4.06Å; N201-F245 HydrophobicContact CB-CE2 3.98Å; N201-F245 HydrophobicContact CB-CZ 4.4Å; N201-F245 VanDerWaalsContact OD1-CZ 3.31Å; N201-F245 WeakPolarHBondContact OD1-CZ 3.42Å; V241-F245 WeakPolarHBondContact O-CB 3.39Å; V241-F245 PolarHBondContact O-N 2.95Å; E243-F245 PolarHBondContact O-N 3.47Å; F245-D247 PolarHBondContact O-N 3.33Å; F245-R248 PolarHBondContact O-N 2.94Å; F245-Y249 HydrophobicContact CD2-CD2 4.29Å; F245-Y249 HydrophobicContact CE2-CD2 4.1Å; F245-Y249 HydrophobicContact CZ-CD2 4.46Å; F245-Y249 PolarHBondContact O-N 3.01Å; F245-L254 HydrophobicContact CD1-CD1 4.44Å; F245-L254 HydrophobicContact CE1-CD1 3.77Å; F245-L254 HydrophobicContact CE1-CG 3.91Å; F245-L254 HydrophobicContact CE2-CD1 3.94Å; F245-L254 HydrophobicContact CZ-CD1 3.48Å; F245-L254 VanDerWaalsContact CZ-CD1 3.48Å; F245-L254 HydrophobicContact CZ-CD2 4.45Å; F245-L254 HydrophobicContact CZ-CG 3.78Å; F245-I258 HydrophobicContact CB-CD1 4.06Å; F245-I258 HydrophobicContact CD2-CD1 3.44Å; F245-I258 VanDerWaalsContact CD2-CD1 3.44Å; F245-I258 HydrophobicContact CE2-CD1 3.96Å; F245-I258 HydrophobicContact CG-CD1 3.75Å
246	F	81	Confident	78.5	Confident	66 Å²	66	63.4 Å²	63.4	29%	0.289	32%	0.315	S	S	.	.	H	α-helix	trans	-66.3	-21.8	178.3	-78.2	-55.2	0	0	0	114.7	T110 N242 E243	T110-F246 HydrophobicContact CG2-CE2 4.04Å; N242-F246 WeakPolarHBondContact O-CD2 3.49Å; N242-F246 PolarHBondContact O-N 3.4Å; E243-F246 PolarHBondContact O-N 3.11Å; E243-F246 VanDerWaalsContact O-N 3.1Å
247	D	82.3	Confident	77.8	Confident	126 Å²	126	67.7 Å²	67.7	67%	0.674	34%	0.335	S	S	*	.	H	α-helix	trans	-80.3	-37.3	173.2	-74.5	-17.6	0	0	0	112.2	E243 F245	E243-D247 PolarHBondContact O-N 3.34Å; F245-D247 PolarHBondContact O-N 3.33Å
248	R	76.5	Confident	77.5	Confident	102 Å²	102	67.7 Å²	67.7	39%	0.385	34%	0.335	S	S	.	.	H	α-helix	trans	-83.9	-34.1	179.4	-157.8	176.3	-160.9	-176.4	8.1	113	E190 M194 I244 F245	E190-R248 IonicContact OE1-CZ 2.74Å; E190-R248 IonicContact OE1-NH1 2.8Å; E190-R248 PolarHBondContact OE1-NH1 3.34Å; E190-R248 VanDerWaalsContact OE1-NH1 3.1Å; E190-R248 IonicContact OE1-NH2 2.65Å; E190-R248 PolarHBondContact OE1-NH2 3.34Å; M194-R248 PolarHBondContact O-NH1 3.46Å; I244-R248 PolarHBondContact O-N 3.17Å; I244-R248 VanDerWaalsContact O-N 3.09Å; F245-R248 PolarHBondContact O-N 2.94Å
249	Y	77.1	Confident	77.3	Confident	64 Å²	64	68.9 Å²	68.9	25%	0.251	34%	0.34	S	S	.	.			trans	-131.3	83.7	-177.8	-57	-67.4	0	0	0	111.3	N201 F245 D251 S252	N201-Y249 HydrophobicContact CB-CD2 4.29Å; N201-Y249 HydrophobicContact CB-CE2 4.08Å; F245-Y249 HydrophobicContact CD2-CD2 4.29Å; F245-Y249 HydrophobicContact CE2-CD2 4.1Å; F245-Y249 HydrophobicContact CZ-CD2 4.46Å; F245-Y249 PolarHBondContact O-N 3.01Å; Y249-D251 PolarHBondContact O-N 3.26Å; Y249-S252 VanDerWaalsContact CB-OG 3.3Å; Y249-S252 WeakPolarHBondContact CB-OG 3.36Å
250	P	75.2	Confident	77.3	Confident	75 Å²	75	65.4 Å²	65.4	49%	0.487	32%	0.323	S	S	.	.	S	Bend	trans	-70.7	-16.1	177.7	29.6	-36	0	0	0	113.7
251	D	66.4	Low	77.3	Confident	151 Å²	151	66.3 Å²	66.3	81%	0.807	33%	0.326	S	S	*	.	S	Bend	trans	-100.1	-21.5	-171.3	-59.7	-45.1	0	0	0	114.3	Y249 I253	Y249-D251 PolarHBondContact O-N 3.26Å; D251-I253 PolarHBondContact O-N 3.13Å
252	S	65.6	Low	77.3	Confident	36 Å²	36	66.3 Å²	66.3	25%	0.252	33%	0.326	S	S	.	.			trans	-90.3	102.1	175.8	50.4	0	0	0	0	111.3	N201 Y249 L254	N201-S252 WeakPolarHBondContact OD1-CB 3.44Å; N201-S252 PolarHBondContact OD1-OG 2.84Å; Y249-S252 VanDerWaalsContact CB-OG 3.3Å; Y249-S252 WeakPolarHBondContact CB-OG 3.36Å; S252-L254 PolarHBondContact O-N 3.14Å
253	I	64.6	Low	77.2	Confident	148 Å²	148	67.1 Å²	67.1	76%	0.759	33%	0.329	S	S	*	.			trans	-87.2	96.7	177.1	-54.6	176.6	0	0	0	109	D251	D251-I253 PolarHBondContact O-N 3.13Å
254	L	62.1	Low	76.6	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.283	33%	0.326	S	S	.	.			trans	-71.2	127.9	168.5	-60.4	179.2	0	0	0	110	F245 S252 H256 I258	F245-L254 HydrophobicContact CD1-CD1 4.44Å; F245-L254 HydrophobicContact CE1-CD1 3.77Å; F245-L254 HydrophobicContact CE1-CG 3.91Å; F245-L254 HydrophobicContact CE2-CD1 3.94Å; F245-L254 HydrophobicContact CZ-CD1 3.48Å; F245-L254 VanDerWaalsContact CZ-CD1 3.48Å; F245-L254 HydrophobicContact CZ-CD2 4.45Å; F245-L254 HydrophobicContact CZ-CG 3.78Å; S252-L254 PolarHBondContact O-N 3.14Å; L254-H256 PolarHBondContact O-N 3.37Å; L254-I258 HydrophobicContact CD1-CD1 4Å; L254-I258 HydrophobicContact CD1-CG1 3.89Å
255	E	62.8	Low	75.8	Confident	185 Å²	185	65.9 Å²	65.9	86%	0.864	32%	0.324	S	S	*	.	S	Bend	trans	-71.9	-19.7	174.5	-62.1	-167.6	148.7	0	0	112.8
256	H	68.1	Low	74.7	Confident	131 Å²	131	69.4 Å²	69.4	61%	0.606	34%	0.343	S	S	*	.	S	Bend	trans	-115.9	132.6	-178.7	-64.4	84.1	0	0	0	109.8	P206 L254	P206-H256 HydrophobicContact CG-CB 4.13Å; L254-H256 PolarHBondContact O-N 3.37Å
257	Q	73.7	Confident	73.6	Confident	96 Å²	96	69.7 Å²	69.7	45%	0.449	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.9	141	177.6	-69	178.8	-9	0	0	110.5	Q259	Q257-Q259 PolarHBondContact O-N 3.17Å
258	I	82.3	Confident	72.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.7	178.5	-57.5	175.7	0	0	0	109.1	L197 I200 P206 L208 V241 N242 F245 L254	L197-I258 HydrophobicContact CD1-CD1 3.8Å; I200-I258 HydrophobicContact CG2-CD1 4.24Å; P206-I258 HydrophobicContact CB-CG1 4.35Å; P206-I258 WeakPolarHBondContact O-CA 3.3Å; L208-I258 HydrophobicContact CB-CG2 4.2Å; V241-I258 HydrophobicContact CG1-CB 4.01Å; V241-I258 HydrophobicContact CG1-CD1 4.24Å; V241-I258 HydrophobicContact CG1-CG2 3.68Å; N242-I258 PolarHBondContact ND2-O 3.34Å; N242-I258 PolarHBondContact OD1-N 3.08Å; F245-I258 HydrophobicContact CB-CD1 4.06Å; F245-I258 HydrophobicContact CD2-CD1 3.44Å; F245-I258 VanDerWaalsContact CD2-CD1 3.44Å; F245-I258 HydrophobicContact CE2-CD1 3.96Å; F245-I258 HydrophobicContact CG-CD1 3.75Å; L254-I258 HydrophobicContact CD1-CD1 4Å; L254-I258 HydrophobicContact CD1-CG1 3.89Å
259	Q	84	Confident	72.4	Confident	39 Å²	39	65.9 Å²	65.9	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.9	178	-65.3	-174.2	-7.5	0	0	110.9	P206 F207 L208 D238 Q257	P206-Q259 PolarHBondContact O-N 3.23Å; F207-Q259 HydrophobicContact CD1-CB 4.17Å; L208-Q259 PolarHBondContact N-O 2.99Å; D238-Q259 WeakPolarHBondContact OD1-CA 3.24Å; Q257-Q259 PolarHBondContact O-N 3.17Å
260	V	87.6	Confident	72.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.3	166.5	78.3	0	0	0	0	111.1	R115 F166 L208 V210 I234 F237 D238	R115-V260 PolarHBondContact NH1-O 2.98Å; R115-V260 VanDerWaalsContact NH1-O 3.15Å; R115-V260 PolarHBondContact NH2-O 3.12Å; F166-V260 HydrophobicContact CZ-CG2 4.44Å; L208-V260 CarbonylContact O-C 3.6Å; L208-V260 WeakPolarHBondContact O-CA 3.43Å; V210-V260 HydrophobicContact CB-CG2 4.14Å; V210-V260 HydrophobicContact CG2-CG2 3.58Å; I234-V260 HydrophobicContact CG2-CG1 3.84Å; F237-V260 HydrophobicContact CB-CB 4.29Å; F237-V260 HydrophobicContact CB-CG1 3.69Å; F237-V260 HydrophobicContact CD2-CG1 4.25Å; D238-V260 WeakPolarHBondContact OD1-CG1 3.27Å; D238-V260 PolarHBondContact OD1-N 3.1Å
261	R	87.6	Confident	72.8	Confident	20 Å²	20	62.7 Å²	62.7	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	84.5	175.6	-75	-177.6	177.7	174.3	-2.1	109.5	F207 L208 N209 V210 F263 D377 H420	F207-R261 VanDerWaalsContact CD1-CZ 3.49Å; F207-R261 VanDerWaalsContact CE1-NH2 3.29Å; L208-R261 PolarHBondContact O-N 2.98Å; N209-R261 WeakPolarHBondContact OD1-CB 3.5Å; V210-R261 PolarHBondContact N-O 2.93Å; R261-F263 PolarHBondContact O-N 3Å; R261-D377 IonicContact CZ-OD2 2.65Å; R261-D377 VanDerWaalsContact CZ-OD2 3.24Å; R261-D377 IonicContact NH1-OD2 3.03Å; R261-D377 PolarHBondContact NH1-OD2 3.15Å; R261-D377 IonicContact NH2-OD2 3.93Å; R261-D377 PolarHBondContact NH2-OD2 3.14Å; R261-H420 HydrophobicContact CB-CB 4.24Å
262	P	87.5	Confident	73.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.6	174.6	25.4	-34.9	0	0	0	111.2	V210 L226 I234 T391 I419	V210-P262 CarbonylContact O-C 3.55Å; V210-P262 WeakPolarHBondContact O-CA 3.46Å; L226-P262 HydrophobicContact CD2-CB 4.35Å; I234-P262 HydrophobicContact CD1-CG 3.84Å; I234-P262 HydrophobicContact CG1-CG 4.03Å; P262-T391 PolarHBondContact O-OG1 3.16Å; P262-I419 HydrophobicContact CG-CG2 4Å
263	F	83.6	Confident	74.6	Confident	36 Å²	36	61 Å²	61	16%	0.158	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	166	178.8	73.6	-88.1	0	0	0	112	N209 V210 N211 C212 R261 T391 H420	N209-F263 HydrophobicContact CB-CD1 4.19Å; N209-F263 HydrophobicContact CB-CE1 3.91Å; V210-F263 VanDerWaalsContact C-CD1 3.43Å; V210-F263 VanDerWaalsContact C-CE1 3.42Å; V210-F263 VanDerWaalsContact O-CD1 3.32Å; V210-F263 WeakPolarHBondContact O-CD1 3.23Å; V210-F263 PolarHBondContact O-N 3.23Å; N211-F263 HydrophobicContact CB-CE1 4.21Å; N211-F263 HydrophobicContact CB-CE2 4.14Å; N211-F263 HydrophobicContact CB-CZ 3.83Å; C212-F263 WeakPolarHBondContact CB-O 3.5Å; C212-F263 PolarHBondContact N-O 2.86Å; C212-F263 PolarHBondContact SG-O 2.91Å; R261-F263 PolarHBondContact O-N 3Å; F263-T391 HydrophobicContact CB-CG2 4.33Å; F263-H420 HydrophobicContact CB-CB 4.46Å; F263-H420 WeakPolarHBondContact CB-CD2 3.22Å; F263-H420 AromaticContact CG-NE2 3.87Å
264	N	73.4	Confident	75.6	Confident	49 Å²	49	55.3 Å²	55.3	26%	0.262	27%	0.271	S	S	.	.			trans	56.7	55.5	178	-172.1	51.2	0	0	0	114.7	N211 E213	N211-N264 WeakPolarHBondContact OD1-CB 3.36Å; N211-N264 PolarHBondContact OD1-ND2 3.04Å; E213-N264 PolarHBondContact OE2-ND2 3.38Å
265	A	66.9	Low	76.9	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.008	28%	0.276	C	S	.	.			trans	-78	136.4	163.8	0	0	0	0	0	110.6	C212 I227 K267 L282 T284	C212-A265 HydrophobicContact CB-CB 4.44Å; I227-A265 HydrophobicContact CD1-CB 4.45Å; A265-K267 PolarHBondContact O-N 3.45Å; A265-L282 HydrophobicContact CB-CD2 4.21Å; A265-T284 HydrophobicContact CB-CG2 3.99Å; A265-T284 WeakPolarHBondContact O-CG2 3.47Å; A265-T284 PolarHBondContact O-OG1 2.78Å
266	L	59.8	Low	78.1	Confident	77 Å²	77	52.5 Å²	52.5	40%	0.403	27%	0.268	S	S	.	.	S	Bend	trans	-71.8	2.3	-173.5	-60.5	170.9	0	0	0	114.9	K216 Y223 T268	K216-L266 HydrophobicContact CD-CD1 3.58Å; Y223-L266 WeakPolarHBondContact OH-CB 3.32Å; Y223-L266 PolarHBondContact OH-N 2.85Å; L266-T268 PolarHBondContact O-N 3.47Å
267	K	58.8	Low	79.1	Confident	73 Å²	73	52.1 Å²	52.1	32%	0.317	27%	0.267	S	S	.	.			trans	-84.3	58.3	166.4	-73.7	-167.9	174.1	-167.6	0	110	I227 A265 K269 T284	I227-K267 HydrophobicContact CG2-CD 3.95Å; A265-K267 PolarHBondContact O-N 3.45Å; K267-K269 PolarHBondContact O-N 3.22Å; K267-T284 PolarHBondContact O-OG1 2.89Å
268	T	64.6	Low	79.7	Confident	106 Å²	106	47.6 Å²	47.6	65%	0.65	25%	0.246	S	C	*	.	B	Isolated β-bridge	trans	-64.6	120.7	165.2	31.3	0	0	0	0	108.6	L266 T284	L266-T268 PolarHBondContact O-N 3.47Å; T268-T284 WeakPolarHBondContact CA-O 3.31Å; T268-T284 VanDerWaalsContact CA-OG1 3.31Å; T268-T284 WeakPolarHBondContact CA-OG1 3.42Å; T268-T284 VanDerWaalsContact CG2-OG1 3.25Å; T268-T284 WeakPolarHBondContact CG2-OG1 3.4Å; T268-T284 PolarHBondContact N-OG1 2.97Å
269	K	69.8	Low	80.1	Confident	41 Å²	41	50.7 Å²	50.7	18%	0.178	26%	0.262	C	S	.	.			trans	-125.5	128.3	177	-63.3	-152.9	-176.7	-167	0	110.9	K267 N273 L274 E277 D278 I283 T284 I285	K267-K269 PolarHBondContact O-N 3.22Å; K269-N273 WeakPolarHBondContact CD-O 3.37Å; K269-L274 HydrophobicContact CB-CD2 4.31Å; K269-E277 IonicContact NZ-OE1 3.1Å; K269-D278 WeakPolarHBondContact CE-OD1 3.48Å; K269-D278 IonicContact NZ-OD1 2.63Å; K269-D278 PolarHBondContact NZ-OD1 3.49Å; K269-D278 IonicContact NZ-OD2 2.77Å; K269-D278 PolarHBondContact NZ-OD2 3.03Å; K269-I283 HydrophobicContact CB-CG2 4.29Å; K269-I283 HydrophobicContact CG-CG2 4.45Å; K269-T284 PolarHBondContact N-O 3.4Å; K269-T284 VanDerWaalsContact N-O 3.17Å; K269-I285 WeakPolarHBondContact O-CG2 3.47Å
270	N	78.9	Confident	80.3	Confident	59 Å²	59	51.5 Å²	51.5	32%	0.316	27%	0.267	S	S	.	.			trans	-58.3	148.9	167.1	-53.7	48.7	0	0	0	109	R272 N273 D360	N270-R272 PolarHBondContact O-N 3.11Å; N270-N273 PolarHBondContact O-N 3Å; N270-D360 PolarHBondContact ND2-O 3.3Å
271	M	81.4	Confident	80.4	Confident	14 Å²	14	53.2 Å²	53.2	7%	0.069	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.2	-173.2	-58.7	-169.3	-173.4	0	0	113.3	I285 S286 L354 Q355 E356 V370	M271-I285 HydrophobicContact CE-CD1 4.25Å; M271-S286 VanDerWaalsContact CE-O 3.24Å; M271-S286 WeakPolarHBondContact CE-O 3.49Å; M271-L354 HydrophobicContact CE-CB 4.31Å; M271-L354 HydrophobicContact CE-CD2 3.54Å; M271-L354 HydrophobicContact CE-CG 3.8Å; M271-Q355 WeakPolarHBondContact CE-O 3.37Å; M271-E356 HydrophobicContact CB-CG 4.5Å; M271-E356 HydrophobicContact CE-CB 4.47Å; M271-E356 HydrophobicContact CG-CB 4.28Å; M271-E356 HydrophobicContact CG-CG 4.38Å; M271-E356 PolarHBondContact N-OE1 2.65Å; M271-E356 HydrophobicContact SD-CB 3.95Å; M271-E356 PolarHBondContact SD-N 2.92Å; M271-E356 VanDerWaalsContact SD-N 3.41Å; M271-V370 HydrophobicContact CB-CG2 4.03Å; M271-V370 HydrophobicContact CG-CG2 3.99Å; M271-V370 HydrophobicContact SD-CB 4.21Å; M271-V370 HydrophobicContact SD-CG2 3.63Å
272	R	84.3	Confident	80.5	Confident	58 Å²	58	52.4 Å²	52.4	22%	0.219	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-73.1	-25.2	174.1	-66.1	159.6	-174.1	-80.3	-13.4	114.6	N270 E356 T366	N270-R272 PolarHBondContact O-N 3.11Å; R272-E356 WeakPolarHBondContact CD-OE1 3.29Å; R272-E356 WeakPolarHBondContact CG-OE1 3.24Å; R272-E356 IonicContact CZ-OE2 3.44Å; R272-E356 IonicContact NE-OE1 3.4Å; R272-E356 PolarHBondContact NE-OE1 2.92Å; R272-E356 IonicContact NE-OE2 3.11Å; R272-E356 PolarHBondContact NE-OE2 2.69Å; R272-E356 IonicContact NH2-OE2 3.81Å; R272-E356 PolarHBondContact NH2-OE2 2.81Å; R272-E356 VanDerWaalsContact NH2-OE2 3.11Å; R272-T366 PolarHBondContact NH2-O 3.27Å
273	N	85.5	Confident	80.6	Confident	93 Å²	93	52.5 Å²	52.5	50%	0.497	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-104.9	23.6	-169.3	-62.9	-8.3	0	0	0	112.4	K269 N270 N275	K269-N273 WeakPolarHBondContact CD-O 3.37Å; N270-N273 PolarHBondContact O-N 3Å; N273-N275 PolarHBondContact O-N 2.99Å
274	L	85.6	Confident	80.9	Confident	28 Å²	28	51.2 Å²	51.2	15%	0.147	27%	0.268	C	S	.	.			trans	-79.9	101.5	175.2	-65	175.5	0	0	0	109.7	K269 I283 V370 Y394	K269-L274 HydrophobicContact CB-CD2 4.31Å; L274-I283 HydrophobicContact CD2-CD1 3.81Å; L274-I283 HydrophobicContact CD2-CG2 4.2Å; L274-V370 HydrophobicContact CD1-CG2 4.43Å; L274-Y394 HydrophobicContact CB-CE1 4.39Å; L274-Y394 HydrophobicContact CD1-CE2 4.08Å
275	N	88.8	Confident	81.6	Confident	73 Å²	73	49.1 Å²	49.1	39%	0.39	26%	0.256	S	S	.	.			trans	-86.7	155.9	-177.7	-73.8	-17.6	0	0	0	110.7	N273 E277 D278	N273-N275 PolarHBondContact O-N 2.99Å; N275-E277 HydrophobicContact CB-CG 3.7Å; N275-E277 WeakPolarHBondContact CB-OE1 3.28Å; N275-E277 PolarHBondContact ND2-OE1 3.33Å; N275-E277 PolarHBondContact O-N 3.18Å; N275-D278 WeakPolarHBondContact CB-OD2 3.21Å; N275-D278 PolarHBondContact N-OD2 3.5Å; N275-D278 VanDerWaalsContact N-OD2 3.13Å; N275-D278 PolarHBondContact O-N 2.95Å; N275-D278 VanDerWaalsContact O-N 3.15Å
276	P	88	Confident	82.6	Confident	107 Å²	107	50.8 Å²	50.8	70%	0.695	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-66.3	-13	173.7	29	-35.9	0	0	0	113.2	D278 I279	P276-D278 VanDerWaalsContact C-N 3.29Å; P276-I279 HydrophobicContact CB-CD1 4.46Å; P276-I279 WeakPolarHBondContact O-CD1 3.13Å; P276-I279 WeakPolarHBondContact O-CG1 3.18Å
277	E	88.5	Confident	83.9	Confident	123 Å²	123	47.2 Å²	47.2	58%	0.575	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-71.7	-21.2	173.5	76.7	-158	164.7	0	0	113.1	K269 N275 Q281	K269-E277 IonicContact NZ-OE1 3.1Å; N275-E277 HydrophobicContact CB-CG 3.7Å; N275-E277 WeakPolarHBondContact CB-OE1 3.28Å; N275-E277 PolarHBondContact ND2-OE1 3.33Å; N275-E277 PolarHBondContact O-N 3.18Å; E277-Q281 PolarHBondContact O-NE2 3.15Å
278	D	86.7	Confident	85.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-91.1	8.4	-177.3	-49.9	-72.3	0	0	0	113.6	K269 N275 P276 D280 Q281 I283	K269-D278 WeakPolarHBondContact CE-OD1 3.48Å; K269-D278 IonicContact NZ-OD1 2.63Å; K269-D278 PolarHBondContact NZ-OD1 3.49Å; K269-D278 IonicContact NZ-OD2 2.77Å; K269-D278 PolarHBondContact NZ-OD2 3.03Å; N275-D278 WeakPolarHBondContact CB-OD2 3.21Å; N275-D278 PolarHBondContact N-OD2 3.5Å; N275-D278 VanDerWaalsContact N-OD2 3.13Å; N275-D278 PolarHBondContact O-N 2.95Å; N275-D278 VanDerWaalsContact O-N 3.15Å; P276-D278 VanDerWaalsContact C-N 3.29Å; D278-D280 PolarHBondContact O-N 2.88Å; D278-Q281 WeakPolarHBondContact O-CB 3.41Å; D278-Q281 PolarHBondContact O-N 2.9Å; D278-Q281 VanDerWaalsContact O-N 3.17Å; D278-I283 HydrophobicContact CB-CD1 3.66Å; D278-I283 HydrophobicContact CB-CG1 4.48Å
279	I	90.5	Very high	86.4	Confident	65 Å²	65	41.3 Å²	41.3	33%	0.333	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	137.1	178.4	-64.8	172	0	0	0	109.9	P276 Q281 Y394 A396	P276-I279 HydrophobicContact CB-CD1 4.46Å; P276-I279 WeakPolarHBondContact O-CD1 3.13Å; P276-I279 WeakPolarHBondContact O-CG1 3.18Å; I279-Q281 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact O-N 3.11Å; I279-Y394 HydrophobicContact CG1-CD1 4.14Å; I279-Y394 HydrophobicContact CG1-CE1 4.21Å; I279-A396 HydrophobicContact CD1-CB 4.08Å; I279-A396 HydrophobicContact CG2-CB 4.48Å
280	D	89.8	Confident	87.1	Confident	56 Å²	56	43.2 Å²	43.2	30%	0.299	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	9.6	-172.6	-62.7	-52.2	0	0	0	115.7	P230 D278 I393 Y394 R395	P230-D280 WeakPolarHBondContact CD-O 3.34Å; P230-D280 WeakPolarHBondContact CG-O 3.15Å; D278-D280 PolarHBondContact O-N 2.88Å; D280-I393 HydrophobicContact CB-CG2 4.48Å; D280-Y394 PolarHBondContact N-O 3.26Å; D280-R395 IonicContact OD1-CZ 3.78Å; D280-R395 IonicContact OD1-NH1 3.41Å; D280-R395 PolarHBondContact OD1-NH1 2.85Å
281	Q	89.1	Confident	87.3	Confident	36 Å²	36	43.1 Å²	43.1	17%	0.168	22%	0.223	C	C	.	.	S	Bend	trans	-86.2	159.1	170.7	-58.7	-168.6	38.1	0	0	112.6	I227 E277 D278 I279 Y394	I227-Q281 VanDerWaalsContact O-CA 3.29Å; I227-Q281 WeakPolarHBondContact O-CA 3.4Å; I227-Q281 WeakPolarHBondContact O-CB 3.34Å; E277-Q281 PolarHBondContact O-NE2 3.15Å; D278-Q281 WeakPolarHBondContact O-CB 3.41Å; D278-Q281 PolarHBondContact O-N 2.9Å; D278-Q281 VanDerWaalsContact O-N 3.17Å; I279-Q281 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact O-N 3.11Å; Q281-Y394 PolarHBondContact O-N 2.95Å
282	L	89.8	Confident	87.5	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.9	172.6	-170.8	68.9	0	0	0	110.7	L226 I227 P230 A265 I419	L226-L282 HydrophobicContact CG-CD2 4.43Å; I227-L282 PolarHBondContact O-N 3.42Å; I227-L282 VanDerWaalsContact O-N 3.08Å; P230-L282 HydrophobicContact CB-CB 4.29Å; P230-L282 HydrophobicContact CG-CB 4.27Å; A265-L282 HydrophobicContact CB-CD2 4.21Å; L282-I419 HydrophobicContact CD1-CD1 3.69Å
283	I	89.8	Confident	87.7	Confident	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.7	179.5	-48.9	-173.7	0	0	0	110.1	K269 L274 D278 I285 G392 Y394	K269-I283 HydrophobicContact CB-CG2 4.29Å; K269-I283 HydrophobicContact CG-CG2 4.45Å; L274-I283 HydrophobicContact CD2-CD1 3.81Å; L274-I283 HydrophobicContact CD2-CG2 4.2Å; D278-I283 HydrophobicContact CB-CD1 3.66Å; D278-I283 HydrophobicContact CB-CG1 4.48Å; I283-I285 HydrophobicContact CG2-CG2 3.9Å; I283-G392 PolarHBondContact N-O 2.86Å; I283-G392 PolarHBondContact O-N 3.06Å; I283-G392 VanDerWaalsContact O-N 3.09Å; I283-Y394 HydrophobicContact CD1-CD1 4.21Å; I283-Y394 HydrophobicContact CD1-CG 4Å
284	T	88.7	Confident	87.7	Confident	9 Å²	9	46.7 Å²	46.7	6%	0.055	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.4	168.1	59.3	0	0	0	0	110	A265 K267 T268 K269 V390 T391	A265-T284 HydrophobicContact CB-CG2 3.99Å; A265-T284 WeakPolarHBondContact O-CG2 3.47Å; A265-T284 PolarHBondContact O-OG1 2.78Å; K267-T284 PolarHBondContact O-OG1 2.89Å; T268-T284 WeakPolarHBondContact CA-O 3.31Å; T268-T284 VanDerWaalsContact CA-OG1 3.31Å; T268-T284 WeakPolarHBondContact CA-OG1 3.42Å; T268-T284 VanDerWaalsContact CG2-OG1 3.25Å; T268-T284 WeakPolarHBondContact CG2-OG1 3.4Å; T268-T284 PolarHBondContact N-OG1 2.97Å; K269-T284 PolarHBondContact N-O 3.4Å; K269-T284 VanDerWaalsContact N-O 3.17Å; T284-V390 WeakPolarHBondContact CA-O 3.21Å; T284-T391 HydrophobicContact CG2-CG2 3.51Å
285	I	88.6	Confident	87.9	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.8	177.6	67.6	172	0	0	0	111.1	K269 M271 I283 L354 V370 L372 N389 V390 I416	K269-I285 WeakPolarHBondContact O-CG2 3.47Å; M271-I285 HydrophobicContact CE-CD1 4.25Å; I283-I285 HydrophobicContact CG2-CG2 3.9Å; I285-L354 HydrophobicContact CD1-CD2 3.74Å; I285-L354 HydrophobicContact CG1-CD2 3.97Å; I285-V370 HydrophobicContact CD1-CG1 4.39Å; I285-L372 HydrophobicContact CD1-CD2 4.38Å; I285-N389 CarbonylContact O-C 3.59Å; I285-N389 WeakPolarHBondContact O-CA 3.29Å; I285-V390 HydrophobicContact CG1-CB 4.12Å; I285-V390 PolarHBondContact N-O 3.45Å; I285-V390 PolarHBondContact O-N 2.92Å; I285-I416 HydrophobicContact CD1-CD1 3.54Å; I285-I416 HydrophobicContact CG1-CD1 4.3Å
286	S	87.1	Confident	87.9	Confident	36 Å²	36	50.1 Å²	50.1	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	146.2	170.4	48.4	0	0	0	0	110.5	M271 D360	M271-S286 VanDerWaalsContact CE-O 3.24Å; M271-S286 WeakPolarHBondContact CE-O 3.49Å; S286-D360 PolarHBondContact OG-OD2 3.14Å
287	G	87.3	Confident	88	Confident	2 Å²	2	48.9 Å²	48.9	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	177.7	170.9	0	0	0	0	0	115.6	Q355 R387 V388	G287-Q355 CarbonylContact C-O 3.51Å; G287-Q355 WeakPolarHBondContact CA-O 3.38Å; G287-R387 WeakPolarHBondContact O-CA 3.4Å; G287-V388 PolarHBondContact N-O 3.02Å; G287-V388 PolarHBondContact O-N 2.92Å
288	M	87	Confident	88	Confident	54 Å²	54	46.6 Å²	46.6	27%	0.266	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.3	175.3	-177.8	-179.2	-71.7	0	0	110.5	I290 L354 Q355 D386 R387	M288-I290 PolarHBondContact O-N 2.78Å; M288-L354 CarbonylContact O-C 3.58Å; M288-Q355 PolarHBondContact N-O 3.08Å; M288-Q355 WeakPolarHBondContact O-CB 3.22Å; M288-Q355 PolarHBondContact O-N 3.46Å; M288-D386 WeakPolarHBondContact CA-O 3.33Å; M288-R387 HydrophobicContact CE-CG 4.34Å
289	V	88.7	Confident	87.9	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	121	175.8	175.7	0	0	0	0	110.5	T292 I352 L354 V382 G385 D386 V388	V289-T292 HydrophobicContact CG1-CG2 4.31Å; V289-I352 HydrophobicContact CB-CG2 4.49Å; V289-I352 HydrophobicContact CG1-CG2 3.67Å; V289-I352 HydrophobicContact CG2-CG2 3.98Å; V289-L354 HydrophobicContact CG2-CD1 3.71Å; V289-V382 HydrophobicContact CB-CG2 4.48Å; V289-V382 HydrophobicContact CG2-CG1 4.37Å; V289-V382 HydrophobicContact CG2-CG2 3.65Å; V289-G385 PolarHBondContact O-N 2.94Å; V289-D386 PolarHBondContact N-O 2.74Å; V289-V388 HydrophobicContact CG2-CG2 3.95Å
290	I	84.4	Confident	87.7	Confident	80 Å²	80	47.4 Å²	47.4	41%	0.41	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-48.8	173.2	-59.6	168.4	0	0	0	110.3	M288 K353 Q355 T369	M288-I290 PolarHBondContact O-N 2.78Å; I290-K353 PolarHBondContact N-O 3.26Å; I290-Q355 HydrophobicContact CD1-CB 3.84Å; I290-Q355 HydrophobicContact CD1-CG 4.22Å; I290-Q355 HydrophobicContact CG1-CB 3.82Å; I290-T369 HydrophobicContact CD1-CG2 3.54Å
291	R	84.1	Confident	87.7	Confident	58 Å²	58	46.3 Å²	46.3	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	141.8	-174.4	58.7	170.3	-127.7	-176.3	4.3	112	K353 D550 E552	R291-K353 HydrophobicContact CG-CB 4Å; R291-K353 HydrophobicContact CG-CD 4.34Å; R291-K353 HydrophobicContact CG-CG 4.34Å; R291-K353 PolarHBondContact O-N 2.9Å; R291-D550 IonicContact NH1-OD1 3.98Å; R291-D550 PolarHBondContact NH1-OD1 3.06Å; R291-D550 VanDerWaalsContact NH1-OD1 3.15Å; R291-E552 IonicContact CZ-OE1 2.73Å; R291-E552 IonicContact CZ-OE2 2.71Å; R291-E552 IonicContact NH1-OE1 2.88Å; R291-E552 IonicContact NH2-OE1 3.78Å; R291-E552 PolarHBondContact NH2-OE1 2.89Å; R291-E552 IonicContact NH2-OE2 3.35Å; R291-E552 PolarHBondContact NH2-OE2 2.91Å
292	T	86.3	Confident	87.7	Confident	37 Å²	37	44.6 Å²	44.6	23%	0.227	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-93.4	162.7	164	54.8	0	0	0	0	109.6	V289 M351 I352 V382 P384	V289-T292 HydrophobicContact CG1-CG2 4.31Å; T292-M351 CarbonylContact C-O 3.55Å; T292-I352 HydrophobicContact CG2-CG1 4.21Å; T292-V382 WeakPolarHBondContact CG2-O 3.46Å; T292-P384 HydrophobicContact CG2-CG 4.45Å
293	S	86.9	Confident	87.8	Confident	26 Å²	26	45.3 Å²	45.3	18%	0.182	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-99.6	166.9	165.5	74.6	0	0	0	0	110.5	Q350 M351	S293-Q350 WeakPolarHBondContact O-CG 3.4Å; S293-Q350 PolarHBondContact O-NE2 3.04Å; S293-M351 WeakPolarHBondContact CB-O 3.29Å; S293-M351 PolarHBondContact N-O 3.01Å; S293-M351 PolarHBondContact OG-N 2.61Å; S293-M351 PolarHBondContact OG-O 2.94Å
294	Q	86	Confident	87.9	Confident	176 Å²	176	45.5 Å²	45.5	82%	0.822	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-63.2	162.5	156.8	-67.7	176.3	-7.6	0	0	110.2
295	L	89.4	Confident	88	Confident	89 Å²	89	47.8 Å²	47.8	47%	0.466	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-65.9	138.5	178.8	-75.1	68.5	0	0	0	110.6	D348 V379	L295-D348 HydrophobicContact CD2-CB 4.15Å; L295-V379 HydrophobicContact CD1-CG1 3.91Å; L295-V379 HydrophobicContact CD2-CG1 3.97Å; L295-V379 HydrophobicContact CG-CG1 3.7Å
296	I	89.5	Confident	88.1	Confident	84 Å²	84	47.7 Å²	47.7	43%	0.431	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.4	177.8	-55.7	176	0	0	0	107.3	E298 K349	I296-E298 PolarHBondContact O-N 3.29Å; I296-K349 WeakPolarHBondContact CB-O 3.36Å; I296-K349 PolarHBondContact N-O 3.44Å; I296-K349 WeakPolarHBondContact O-CB 3.21Å; I296-K349 PolarHBondContact O-N 3.44Å
297	P	90.8	Very high	88.2	Confident	82 Å²	82	52.7 Å²	52.7	53%	0.532	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.1	178.9	28.4	-33.4	0	0	0	111.4	F346	P297-F346 HydrophobicContact CB-CB 3.99Å; P297-F346 HydrophobicContact CB-CD1 3.94Å; P297-F346 HydrophobicContact CB-CG 4.1Å
298	E	87.3	Confident	88.3	Confident	75 Å²	75	57.3 Å²	57.3	35%	0.35	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.9	174.9	-174.4	161.2	-133.5	0	0	109.1	I296 F346 S347 K349 H375	I296-E298 PolarHBondContact O-N 3.29Å; E298-F346 CarbonylContact O-C 3.56Å; E298-F346 VanDerWaalsContact O-CA 3.3Å; E298-F346 WeakPolarHBondContact O-CA 3.33Å; E298-S347 PolarHBondContact N-O 3.19Å; E298-S347 PolarHBondContact O-N 3.13Å; E298-S347 PolarHBondContact O-OG 2.94Å; E298-K349 IonicContact OE1-NZ 2.77Å; E298-K349 PolarHBondContact OE1-NZ 2.58Å; E298-K349 WeakPolarHBondContact OE2-CD 3.36Å; E298-K349 IonicContact OE2-NZ 2.74Å; E298-K349 PolarHBondContact OE2-NZ 3.03Å; E298-H375 IonicContact OE2-CE1 3.05Å; E298-H375 PolarHBondContact OE2-CE1 2.67Å; E298-H375 IonicContact OE2-ND1 3.36Å
299	M	86.1	Confident	88.4	Confident	37 Å²	37	56.9 Å²	56.9	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	149.8	-172.7	-167.1	176.6	-65.4	0	0	112.3	A302 M317 I322 L339 S344 F346	M299-A302 HydrophobicContact SD-CB 4.2Å; M299-M317 HydrophobicContact CB-SD 3.94Å; M299-M317 HydrophobicContact CG-SD 4.2Å; M299-M317 WeakPolarHBondContact O-CE 3.46Å; M299-I322 HydrophobicContact SD-CD1 3.6Å; M299-I322 VanDerWaalsContact SD-CD1 3.6Å; M299-L339 HydrophobicContact CE-CD2 4.47Å; M299-S344 WeakPolarHBondContact CE-OG 3.38Å; M299-F346 HydrophobicContact CB-CD1 3.96Å; M299-F346 HydrophobicContact CB-CE1 4.02Å; M299-F346 HydrophobicContact CE-CE1 3.62Å; M299-F346 HydrophobicContact CE-CZ 3.84Å; M299-F346 HydrophobicContact CG-CD1 4.36Å; M299-F346 HydrophobicContact CG-CE1 4.22Å
300	Q	85.6	Confident	88.3	Confident	47 Å²	47	59.7 Å²	59.7	22%	0.22	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-58.7	175.1	-64	-178.9	4.1	0	0	112.7	M317 L345 S347	Q300-M317 WeakPolarHBondContact O-CB 3.35Å; Q300-M317 WeakPolarHBondContact O-CG 3.23Å; Q300-M317 PolarHBondContact O-N 2.96Å; Q300-L345 PolarHBondContact N-O 3.49Å; Q300-S347 PolarHBondContact NE2-OG 3.48Å
301	E	88.8	Confident	88.5	Confident	33 Å²	33	57.8 Å²	57.8	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.5	177.2	-73.2	178.7	-142.5	0	0	109.2	R113 R314 S344 L345	R113-E301 IonicContact NH2-OE1 3.09Å; R113-E301 PolarHBondContact NH2-OE1 3.36Å; R113-E301 VanDerWaalsContact NH2-OE1 3.13Å; E301-R314 WeakPolarHBondContact OE2-CD 3.38Å; E301-R314 IonicContact OE2-CZ 3.17Å; E301-R314 IonicContact OE2-NH1 3.17Å; E301-R314 PolarHBondContact OE2-NH1 3.47Å; E301-S344 CarbonylContact O-C 3.59Å; E301-S344 WeakPolarHBondContact O-CA 3.3Å; E301-S344 WeakPolarHBondContact O-CB 3.37Å; E301-L345 HydrophobicContact CB-CB 4.09Å; E301-L345 HydrophobicContact CB-CD1 4.37Å; E301-L345 HydrophobicContact CB-CG 4.1Å; E301-L345 HydrophobicContact CG-CD1 4.19Å; E301-L345 HydrophobicContact CG-CG 4.47Å; E301-L345 PolarHBondContact O-N 2.9Å; E301-L345 VanDerWaalsContact OE1-CD1 3.31Å; E301-L345 WeakPolarHBondContact OE1-CD1 3.21Å
302	A	89.5	Confident	88.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.3	173	0	0	0	0	0	110.8	M299 F304 R314 V315 I322 L339	M299-A302 HydrophobicContact SD-CB 4.2Å; A302-F304 HydrophobicContact CB-CD2 4.27Å; A302-F304 HydrophobicContact CB-CE2 3.68Å; A302-F304 HydrophobicContact CB-CZ 4.33Å; A302-R314 WeakPolarHBondContact O-CA 3.41Å; A302-V315 PolarHBondContact N-O 3.26Å; A302-V315 PolarHBondContact O-N 3.4Å; A302-I322 HydrophobicContact CB-CD1 4.35Å; A302-I322 HydrophobicContact CB-CG1 4.36Å; A302-I322 HydrophobicContact CB-CG2 3.6Å; A302-L339 HydrophobicContact CB-CD1 3.83Å
303	F	92.8	Very high	88.9	Confident	17 Å²	17	57.8 Å²	57.8	8%	0.075	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.3	177.3	-168.9	-78.1	0	0	0	110.5	T312 R314 I340 R343	F303-T312 HydrophobicContact CE1-CG2 3.56Å; F303-T312 HydrophobicContact CZ-CG2 3.55Å; F303-R314 HydrophobicContact CD2-CG 3.94Å; F303-R314 HydrophobicContact CE2-CG 4.41Å; F303-I340 HydrophobicContact CD1-CB 4.1Å; F303-I340 HydrophobicContact CD1-CD1 4.16Å; F303-I340 HydrophobicContact CD1-CG1 4.35Å; F303-I340 HydrophobicContact CE1-CD1 4.14Å; F303-I340 PolarHBondContact O-N 3.06Å; F303-R343 HydrophobicContact CB-CB 3.9Å; F303-R343 WeakPolarHBondContact CB-O 3.44Å; F303-R343 HydrophobicContact CD1-CB 3.77Å; F303-R343 HydrophobicContact CD2-CB 3.94Å; F303-R343 HydrophobicContact CE1-CB 4.27Å; F303-R343 HydrophobicContact CE2-CB 4.43Å; F303-R343 HydrophobicContact CG-CB 3.59Å
304	F	91.5	Very high	89	Confident	7 Å²	7	64 Å²	64	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146.2	177.2	-68.6	-84.1	0	0	0	111.5	A302 T312 T313 V315 I322 E324 P325 M337 A338 L339	A302-F304 HydrophobicContact CB-CD2 4.27Å; A302-F304 HydrophobicContact CB-CE2 3.68Å; A302-F304 HydrophobicContact CB-CZ 4.33Å; F304-T312 CarbonylContact O-C 3.48Å; F304-T312 VanDerWaalsContact O-CA 3.23Å; F304-T312 WeakPolarHBondContact O-CA 3.37Å; F304-T313 PolarHBondContact N-O 2.91Å; F304-T313 PolarHBondContact O-N 3.29Å; F304-V315 HydrophobicContact CD2-CB 4.44Å; F304-V315 HydrophobicContact CD2-CG2 4.03Å; F304-V315 HydrophobicContact CE2-CB 4.24Å; F304-V315 HydrophobicContact CE2-CG2 4.16Å; F304-I322 HydrophobicContact CE2-CG2 3.85Å; F304-I322 HydrophobicContact CZ-CG2 3.68Å; F304-E324 HydrophobicContact CE1-CB 4.4Å; F304-E324 HydrophobicContact CE1-CG 3.93Å; F304-E324 HydrophobicContact CZ-CB 4.36Å; F304-E324 HydrophobicContact CZ-CG 4.36Å; F304-P325 HydrophobicContact CB-CG 4.25Å; F304-P325 HydrophobicContact CD2-CG 4Å; F304-P325 HydrophobicContact CE2-CG 4.48Å; F304-P325 HydrophobicContact CG-CG 4.02Å; F304-M337 HydrophobicContact CB-CB 4.45Å; F304-M337 HydrophobicContact CB-SD 4.06Å; F304-M337 HydrophobicContact CD1-CB 4.26Å; F304-A338 CarbonylContact C-O 3.55Å; F304-A338 WeakPolarHBondContact CA-O 3.44Å; F304-L339 HydrophobicContact CD1-CB 4.21Å; F304-L339 HydrophobicContact CE1-CB 3.96Å; F304-L339 HydrophobicContact CE1-CD1 4.27Å; F304-L339 HydrophobicContact CZ-CD1 4.27Å
305	Q	91.2	Very high	89.1	Confident	58 Å²	58	57.3 Å²	57.3	27%	0.271	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	169.7	-175.3	172.7	39.6	0	0	111.1	A310 T312 A338 I340	Q305-A310 PolarHBondContact NE2-O 2.97Å; Q305-T312 HydrophobicContact CB-CG2 4.18Å; Q305-T312 HydrophobicContact CG-CG2 3.99Å; Q305-A338 PolarHBondContact N-O 2.95Å; Q305-A338 PolarHBondContact O-N 3.04Å; Q305-I340 HydrophobicContact CB-CD1 3.68Å; Q305-I340 HydrophobicContact CB-CG1 4.27Å
306	C	90.8	Very high	88.9	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.007	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.6	173.1	177.8	0	0	0	0	111.1	V308 C309 A310 H311 C328 S336 M337	C306-V308 VanDerWaalsContact C-N 3.3Å; C306-V308 PolarHBondContact O-N 3.13Å; C306-V308 PolarHBondContact SG-N 3.48Å; C306-C309 VanDerWaalsContact SG-SG 3.64Å; C306-A310 WeakPolarHBondContact O-CA 3.33Å; C306-A310 PolarHBondContact O-N 3.4Å; C306-H311 PolarHBondContact N-O 2.75Å; C306-C328 HydrophobicContact CB-CB 4.14Å; C306-C328 VanDerWaalsContact CB-SG 3.59Å; C306-S336 CarbonylContact C-O 3.49Å; C306-S336 VanDerWaalsContact CA-O 3.3Å; C306-S336 WeakPolarHBondContact CA-O 3.42Å; C306-S336 PolarHBondContact SG-OG 3.42Å; C306-M337 HydrophobicContact CB-CE 4.15Å; C306-M337 HydrophobicContact CB-SD 3.85Å; C306-M337 PolarHBondContact N-SD 3.34Å; C306-M337 VanDerWaalsContact N-SD 3.36Å
307	Q	88.7	Confident	88.3	Confident	141 Å²	141	57.3 Å²	57.3	66%	0.659	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.7	179.1	-66.1	-63.1	-32.6	0	0	113.6	S336 A338	Q307-S336 PolarHBondContact N-O 3.4Å; Q307-A338 HydrophobicContact CG-CB 4.46Å; Q307-A338 VanDerWaalsContact NE2-CB 3.32Å
308	V	89.2	Confident	87.4	Confident	99 Å²	99	57.6 Å²	57.6	60%	0.6	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-39.6	-174.1	-178.9	0	0	0	0	112.7	C306 T333	C306-V308 VanDerWaalsContact C-N 3.3Å; C306-V308 PolarHBondContact O-N 3.13Å; C306-V308 PolarHBondContact SG-N 3.48Å; V308-T333 HydrophobicContact CG2-CG2 4.32Å
309	C	88.4	Confident	86.4	Confident	45 Å²	45	58.7 Å²	58.7	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	8.8	-173.8	70.9	0	0	0	0	114.6	C306 H311 C328 C331	C306-C309 VanDerWaalsContact SG-SG 3.64Å; C309-H311 PolarHBondContact O-N 3.15Å; C309-H311 VanDerWaalsContact SG-CB 3.59Å; C309-C328 PolarHBondContact SG-SG 3.22Å; C309-C331 HydrophobicContact CB-CB 4.1Å
310	A	87.8	Confident	85.6	Confident	61 Å²	61	59.9 Å²	59.9	50%	0.504	32%	0.319	S	S	.	.			trans	55.6	5.8	-177.5	0	0	0	0	0	116.1	Q305 C306 T312	Q305-A310 PolarHBondContact NE2-O 2.97Å; C306-A310 WeakPolarHBondContact O-CA 3.33Å; C306-A310 PolarHBondContact O-N 3.4Å; A310-T312 PolarHBondContact O-N 3.36Å
311	H	88.3	Confident	85.2	Confident	41 Å²	41	67.4 Å²	67.4	19%	0.19	35%	0.345	C	S	.	.			trans	-65.5	130.1	-179.6	-179.9	36.8	0	0	0	111.1	C306 C309 R330	C306-H311 PolarHBondContact N-O 2.75Å; C309-H311 PolarHBondContact O-N 3.15Å; C309-H311 VanDerWaalsContact SG-CB 3.59Å; H311-R330 HydrophobicContact CB-CG 4.34Å; H311-R330 PolarHBondContact ND1-NE 3.09Å
312	T	89.7	Confident	85	Confident	58 Å²	58	69 Å²	69	36%	0.356	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	134.6	-176.4	56.6	0	0	0	0	111.8	F303 F304 Q305 A310	F303-T312 HydrophobicContact CE1-CG2 3.56Å; F303-T312 HydrophobicContact CZ-CG2 3.55Å; F304-T312 CarbonylContact O-C 3.48Å; F304-T312 VanDerWaalsContact O-CA 3.23Å; F304-T312 WeakPolarHBondContact O-CA 3.37Å; Q305-T312 HydrophobicContact CB-CG2 4.18Å; Q305-T312 HydrophobicContact CG-CG2 3.99Å; A310-T312 PolarHBondContact O-N 3.36Å
313	T	89.7	Confident	84.7	Confident	36 Å²	36	72.2 Å²	72.2	22%	0.221	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	143.3	174.1	50.9	0	0	0	0	110	F304 M337	F304-T313 PolarHBondContact N-O 2.91Å; F304-T313 PolarHBondContact O-N 3.29Å; T313-M337 HydrophobicContact CG2-CE 4.11Å
314	R	89.1	Confident	84.3	Confident	157 Å²	157	76.5 Å²	76.5	59%	0.592	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.4	169.5	-64.9	-169.5	-173.6	-172.5	3.9	109.4	E301 A302 F303	E301-R314 WeakPolarHBondContact OE2-CD 3.38Å; E301-R314 IonicContact OE2-CZ 3.17Å; E301-R314 IonicContact OE2-NH1 3.17Å; E301-R314 PolarHBondContact OE2-NH1 3.47Å; A302-R314 WeakPolarHBondContact O-CA 3.41Å; F303-R314 HydrophobicContact CD2-CG 3.94Å; F303-R314 HydrophobicContact CE2-CG 4.41Å
315	V	87.9	Confident	83.9	Confident	35 Å²	35	77.8 Å²	77.8	21%	0.212	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	120.9	176.7	-177.2	0	0	0	0	108.1	A302 F304 P325	A302-V315 PolarHBondContact N-O 3.26Å; A302-V315 PolarHBondContact O-N 3.4Å; F304-V315 HydrophobicContact CD2-CB 4.44Å; F304-V315 HydrophobicContact CD2-CG2 4.03Å; F304-V315 HydrophobicContact CE2-CB 4.24Å; F304-V315 HydrophobicContact CE2-CG2 4.16Å; V315-P325 HydrophobicContact CG2-CG 4.39Å
316	E	83.5	Confident	83.6	Confident	120 Å²	120	78 Å²	78	56%	0.561	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	149.2	174.2	-169.1	174	-158.9	0	0	110.5	D318	E316-D318 PolarHBondContact O-N 2.91Å
317	M	78.4	Confident	83.5	Confident	54 Å²	54	81.1 Å²	81.1	27%	0.266	44%	0.436	S	S	.	.			trans	-80.7	105.2	-179.7	-81	176.5	28.5	0	0	113.1	M299 Q300 I322	M299-M317 HydrophobicContact CB-SD 3.94Å; M299-M317 HydrophobicContact CG-SD 4.2Å; M299-M317 WeakPolarHBondContact O-CE 3.46Å; Q300-M317 WeakPolarHBondContact O-CB 3.35Å; Q300-M317 WeakPolarHBondContact O-CG 3.23Å; Q300-M317 PolarHBondContact O-N 2.96Å; M317-I322 HydrophobicContact CG-CB 4.5Å; M317-I322 HydrophobicContact CG-CD1 4.48Å; M317-I322 HydrophobicContact CG-CG1 3.47Å; M317-I322 VanDerWaalsContact CG-CG1 3.47Å; M317-I322 HydrophobicContact SD-CD1 4.02Å; M317-I322 HydrophobicContact SD-CG1 3.58Å; M317-I322 VanDerWaalsContact SD-CG1 3.58Å
318	D	71.3	Confident	83.2	Confident	88 Å²	88	74.4 Å²	74.4	47%	0.471	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-80.2	131.9	165	-172.9	48.4	0	0	0	110.6	E316 G320 R321	E316-D318 PolarHBondContact O-N 2.91Å; D318-G320 PolarHBondContact O-N 3.27Å; D318-R321 PolarHBondContact O-N 3.15Å
319	R	66.6	Low	82.9	Confident	98 Å²	98	72.5 Å²	72.5	37%	0.37	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	35.7	169	-58.8	161.6	-160.5	-125.1	-6.9	114.9	S120 K123 R321	S120-R319 PolarHBondContact OG-N 2.6Å; K123-R319 PolarHBondContact O-NH2 3.16Å; R319-R321 VanDerWaalsContact C-N 3.28Å; R319-R321 PolarHBondContact O-N 3.37Å
320	G	68.1	Low	82.7	Confident	61 Å²	61	78.7 Å²	78.7	63%	0.629	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	20.1	-179.9	0	0	0	0	0	115	D318	D318-G320 PolarHBondContact O-N 3.27Å
321	R	79.1	Confident	82.5	Confident	206 Å²	206	77.8 Å²	77.8	78%	0.777	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-124.7	122	173.8	-65.6	-173.1	-178.3	-170.7	2.7	110.8	D318 R319 A323	D318-R321 PolarHBondContact O-N 3.15Å; R319-R321 VanDerWaalsContact C-N 3.28Å; R319-R321 PolarHBondContact O-N 3.37Å; R321-A323 PolarHBondContact O-N 3.02Å
322	I	83.2	Confident	82.3	Confident	67 Å²	67	82.4 Å²	82.4	34%	0.344	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-74.3	119.2	166.2	-57.6	164.7	0	0	0	107.6	M299 A302 F304 M317	M299-I322 HydrophobicContact SD-CD1 3.6Å; M299-I322 VanDerWaalsContact SD-CD1 3.6Å; A302-I322 HydrophobicContact CB-CD1 4.35Å; A302-I322 HydrophobicContact CB-CG1 4.36Å; A302-I322 HydrophobicContact CB-CG2 3.6Å; F304-I322 HydrophobicContact CE2-CG2 3.85Å; F304-I322 HydrophobicContact CZ-CG2 3.68Å; M317-I322 HydrophobicContact CG-CB 4.5Å; M317-I322 HydrophobicContact CG-CD1 4.48Å; M317-I322 HydrophobicContact CG-CG1 3.47Å; M317-I322 VanDerWaalsContact CG-CG1 3.47Å; M317-I322 HydrophobicContact SD-CD1 4.02Å; M317-I322 HydrophobicContact SD-CG1 3.58Å; M317-I322 VanDerWaalsContact SD-CG1 3.58Å
323	A	83.1	Confident	82.1	Confident	66 Å²	66	82.2 Å²	82.2	55%	0.545	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-84.8	119.4	169	0	0	0	0	0	109.5	R321	R321-A323 PolarHBondContact O-N 3.02Å
324	E	84.2	Confident	81.9	Confident	108 Å²	108	84.8 Å²	84.8	51%	0.505	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-74.7	127.3	174	-173.5	-171.1	123.3	0	0	110.3	F304 S326	F304-E324 HydrophobicContact CE1-CB 4.4Å; F304-E324 HydrophobicContact CE1-CG 3.93Å; F304-E324 HydrophobicContact CZ-CB 4.36Å; F304-E324 HydrophobicContact CZ-CG 4.36Å; E324-S326 PolarHBondContact O-N 2.9Å
325	P	84.2	Confident	81.7	Confident	33 Å²	33	84.2 Å²	84.2	21%	0.214	45%	0.452	C	S	.	.			trans	-72.5	96.2	172.8	27.8	-30.6	0	0	0	110.2	F304 V315 V327 M337	F304-P325 HydrophobicContact CB-CG 4.25Å; F304-P325 HydrophobicContact CD2-CG 4Å; F304-P325 HydrophobicContact CE2-CG 4.48Å; F304-P325 HydrophobicContact CG-CG 4.02Å; V315-P325 HydrophobicContact CG2-CG 4.39Å; P325-V327 PolarHBondContact O-N 3.25Å; P325-V327 VanDerWaalsContact O-N 3.1Å; P325-M337 HydrophobicContact CG-CB 4.48Å; P325-M337 HydrophobicContact CG-CG 4.13Å; P325-M337 WeakPolarHBondContact O-CG 3.44Å
326	S	85	Confident	81.6	Confident	62 Å²	62	83.1 Å²	83.1	43%	0.434	45%	0.446	S	S	.	.			trans	-63	-16.4	-173.8	61	0	0	0	0	115.4	E324 T334 H335	E324-S326 PolarHBondContact O-N 2.9Å; S326-T334 CarbonylContact O-C 3.52Å; S326-T334 VanDerWaalsContact O-CA 3.27Å; S326-T334 WeakPolarHBondContact O-CA 3.41Å; S326-H335 PolarHBondContact O-N 3.07Å
327	V	87.3	Confident	81.7	Confident	68 Å²	68	78.1 Å²	78.1	41%	0.412	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-128.1	132.5	179.8	-179.8	0	0	0	0	109.8	P325 H332 T334	P325-V327 PolarHBondContact O-N 3.25Å; P325-V327 VanDerWaalsContact O-N 3.1Å; V327-H332 HydrophobicContact CG1-CB 4.5Å; V327-T334 HydrophobicContact CG2-CG2 4.2Å
328	C	84.1	Confident	82.3	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	42%	0.423	C	S	.	.			trans	-79.1	123.3	172.8	-177.2	0	0	0	0	112.1	C306 C309 R330 H332 M337	C306-C328 HydrophobicContact CB-CB 4.14Å; C306-C328 VanDerWaalsContact CB-SG 3.59Å; C309-C328 PolarHBondContact SG-SG 3.22Å; C328-R330 PolarHBondContact O-N 2.78Å; C328-H332 VanDerWaalsContact O-CA 3.29Å; C328-H332 WeakPolarHBondContact O-CA 3.34Å; C328-H332 PolarHBondContact O-N 3.3Å; C328-M337 HydrophobicContact CB-CE 3.99Å
329	G	82.7	Confident	83.2	Confident	59 Å²	59	76.5 Å²	76.5	61%	0.608	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	17.1	178.9	0	0	0	0	0	117.2
330	R	83.8	Confident	84.4	Confident	174 Å²	174	73.8 Å²	73.8	66%	0.657	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-49	170.7	-69	-168.8	-168.7	-177.7	-1.8	113.4	H311 C328	H311-R330 HydrophobicContact CB-CG 4.34Å; H311-R330 PolarHBondContact ND1-NE 3.09Å; C328-R330 PolarHBondContact O-N 2.78Å
331	C	82.9	Confident	85.4	Confident	43 Å²	43	76.2 Å²	76.2	29%	0.291	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.2	-177.8	65.3	0	0	0	0	113.8	C309 T333	C309-C331 HydrophobicContact CB-CB 4.1Å; C331-T333 PolarHBondContact O-N 2.97Å; C331-T333 PolarHBondContact O-OG1 3.03Å; C331-T333 PolarHBondContact SG-OG1 3.33Å
332	H	84.8	Confident	85.9	Confident	138 Å²	138	72.8 Å²	72.8	64%	0.639	40%	0.404	S	S	*	.			trans	53.6	8.7	-178.7	-62.4	-75.9	0	0	0	116.2	V327 C328 T334	V327-H332 HydrophobicContact CG1-CB 4.5Å; C328-H332 VanDerWaalsContact O-CA 3.29Å; C328-H332 WeakPolarHBondContact O-CA 3.34Å; C328-H332 PolarHBondContact O-N 3.3Å; H332-T334 PolarHBondContact O-N 3.18Å
333	T	84.6	Confident	86.2	Confident	54 Å²	54	77 Å²	77	33%	0.331	42%	0.415	S	S	.	.			trans	-67.8	120.7	177.9	-39.3	0	0	0	0	110.3	V308 C331 S336	V308-T333 HydrophobicContact CG2-CG2 4.32Å; C331-T333 PolarHBondContact O-N 2.97Å; C331-T333 PolarHBondContact O-OG1 3.03Å; C331-T333 PolarHBondContact SG-OG1 3.33Å; T333-S336 PolarHBondContact O-OG 2.81Å
334	T	86.2	Confident	86.5	Confident	90 Å²	90	74.4 Å²	74.4	55%	0.552	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-66.1	148	175.5	45	0	0	0	0	111.5	S326 V327 H332 S336	S326-T334 CarbonylContact O-C 3.52Å; S326-T334 VanDerWaalsContact O-CA 3.27Å; S326-T334 WeakPolarHBondContact O-CA 3.41Å; V327-T334 HydrophobicContact CG2-CG2 4.2Å; H332-T334 PolarHBondContact O-N 3.18Å; T334-S336 PolarHBondContact O-N 2.66Å
335	H	84.1	Confident	86.7	Confident	145 Å²	145	72.4 Å²	72.4	67%	0.671	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	30.4	175.1	-54.3	-66.5	0	0	0	114.9	S326	S326-H335 PolarHBondContact O-N 3.07Å
336	S	85.6	Confident	87	Confident	12 Å²	12	75.1 Å²	75.1	8%	0.084	39%	0.394	C	S	.	.			trans	-95.8	0.1	-176.5	62.5	0	0	0	0	113.9	C306 Q307 T333 T334	C306-S336 CarbonylContact C-O 3.49Å; C306-S336 VanDerWaalsContact CA-O 3.3Å; C306-S336 WeakPolarHBondContact CA-O 3.42Å; C306-S336 PolarHBondContact SG-OG 3.42Å; Q307-S336 PolarHBondContact N-O 3.4Å; T333-S336 PolarHBondContact O-OG 2.81Å; T334-S336 PolarHBondContact O-N 2.66Å
337	M	87.3	Confident	87.2	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.069	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.2	-173.4	-75	-70.4	-166.3	0	0	111.7	F304 C306 T313 P325 C328	F304-M337 HydrophobicContact CB-CB 4.45Å; F304-M337 HydrophobicContact CB-SD 4.06Å; F304-M337 HydrophobicContact CD1-CB 4.26Å; C306-M337 HydrophobicContact CB-CE 4.15Å; C306-M337 HydrophobicContact CB-SD 3.85Å; C306-M337 PolarHBondContact N-SD 3.34Å; C306-M337 VanDerWaalsContact N-SD 3.36Å; T313-M337 HydrophobicContact CG2-CE 4.11Å; P325-M337 HydrophobicContact CG-CB 4.48Å; P325-M337 HydrophobicContact CG-CG 4.13Å; P325-M337 WeakPolarHBondContact O-CG 3.44Å; C328-M337 HydrophobicContact CB-CE 3.99Å
338	A	89.4	Confident	87.4	Confident	34 Å²	34	72.7 Å²	72.7	28%	0.281	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	138.7	173.4	0	0	0	0	0	111	F304 Q305 Q307	F304-A338 CarbonylContact C-O 3.55Å; F304-A338 WeakPolarHBondContact CA-O 3.44Å; Q305-A338 PolarHBondContact N-O 2.95Å; Q305-A338 PolarHBondContact O-N 3.04Å; Q307-A338 HydrophobicContact CG-CB 4.46Å; Q307-A338 VanDerWaalsContact NE2-CB 3.32Å
339	L	90.7	Very high	87.7	Confident	74 Å²	74	74.3 Å²	74.3	39%	0.387	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.9	175.3	179.1	62.4	0	0	0	111.1	M299 A302 F304	M299-L339 HydrophobicContact CE-CD2 4.47Å; A302-L339 HydrophobicContact CB-CD1 3.83Å; F304-L339 HydrophobicContact CD1-CB 4.21Å; F304-L339 HydrophobicContact CE1-CB 3.96Å; F304-L339 HydrophobicContact CE1-CD1 4.27Å; F304-L339 HydrophobicContact CZ-CD1 4.27Å
340	I	91.5	Very high	88.1	Confident	41 Å²	41	71.6 Å²	71.6	21%	0.21	35%	0.352	C	S	.	.			trans	-96.6	92.4	174	-52.5	-176.5	0	0	0	109.3	F303 Q305 N342 R343 S344	F303-I340 HydrophobicContact CD1-CB 4.1Å; F303-I340 HydrophobicContact CD1-CD1 4.16Å; F303-I340 HydrophobicContact CD1-CG1 4.35Å; F303-I340 HydrophobicContact CE1-CD1 4.14Å; F303-I340 PolarHBondContact O-N 3.06Å; Q305-I340 HydrophobicContact CB-CD1 3.68Å; Q305-I340 HydrophobicContact CB-CG1 4.27Å; I340-N342 HydrophobicContact CG2-CB 4.4Å; I340-N342 PolarHBondContact O-N 3.16Å; I340-N342 VanDerWaalsContact O-N 3.14Å; I340-R343 HydrophobicContact CB-CB 4.4Å; I340-R343 HydrophobicContact CG2-CB 4.06Å; I340-R343 HydrophobicContact CG2-CG 4.13Å; I340-R343 PolarHBondContact O-N 3.39Å; I340-S344 PolarHBondContact O-N 3.47Å
341	H	89.2	Confident	88.4	Confident	113 Å²	113	64.5 Å²	64.5	52%	0.523	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.7	176.6	60.1	-89.7	0	0	0	113.8	R343 S344 F346	H341-R343 PolarHBondContact O-N 3.28Å; H341-S344 WeakPolarHBondContact CA-OG 3.36Å; H341-S344 PolarHBondContact O-OG 2.9Å; H341-F346 VanDerWaalsContact O-CE2 3.23Å; H341-F346 WeakPolarHBondContact O-CE2 3.49Å; H341-F346 WeakPolarHBondContact O-CZ 3.35Å
342	N	90	Very high	88.9	Confident	134 Å²	134	62.4 Å²	62.4	72%	0.717	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	1.8	176.3	-68.9	-28.1	0	0	0	114.3	I340	I340-N342 HydrophobicContact CG2-CB 4.4Å; I340-N342 PolarHBondContact O-N 3.16Å; I340-N342 VanDerWaalsContact O-N 3.14Å
343	R	88.7	Confident	89.2	Confident	156 Å²	156	57.9 Å²	57.9	59%	0.589	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-2.4	177.3	-74	-170.8	171.2	-169.1	-2.6	114.3	F303 I340 H341	F303-R343 HydrophobicContact CB-CB 3.9Å; F303-R343 WeakPolarHBondContact CB-O 3.44Å; F303-R343 HydrophobicContact CD1-CB 3.77Å; F303-R343 HydrophobicContact CD2-CB 3.94Å; F303-R343 HydrophobicContact CE1-CB 4.27Å; F303-R343 HydrophobicContact CE2-CB 4.43Å; F303-R343 HydrophobicContact CG-CB 3.59Å; I340-R343 HydrophobicContact CB-CB 4.4Å; I340-R343 HydrophobicContact CG2-CB 4.06Å; I340-R343 HydrophobicContact CG2-CG 4.13Å; I340-R343 PolarHBondContact O-N 3.39Å; H341-R343 PolarHBondContact O-N 3.28Å
344	S	89.6	Confident	89.5	Confident	10 Å²	10	55.3 Å²	55.3	7%	0.07	28%	0.276	C	S	.	.	S	Bend	trans	-69.9	153.4	165.5	39.9	0	0	0	0	111.3	M299 E301 I340 H341 F346	M299-S344 WeakPolarHBondContact CE-OG 3.38Å; E301-S344 CarbonylContact O-C 3.59Å; E301-S344 WeakPolarHBondContact O-CA 3.3Å; E301-S344 WeakPolarHBondContact O-CB 3.37Å; I340-S344 PolarHBondContact O-N 3.47Å; H341-S344 WeakPolarHBondContact CA-OG 3.36Å; H341-S344 PolarHBondContact O-OG 2.9Å; S344-F346 WeakPolarHBondContact O-CD2 3.28Å; S344-F346 WeakPolarHBondContact O-CE2 3.35Å; S344-F346 WeakPolarHBondContact OG-CE2 3.41Å; S344-F346 WeakPolarHBondContact OG-CZ 3.28Å
345	L	89.8	Confident	89.6	Confident	67 Å²	67	53.7 Å²	53.7	35%	0.351	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.1	169	-58.3	-172.2	0	0	0	110.4	Q300 E301	Q300-L345 PolarHBondContact N-O 3.49Å; E301-L345 HydrophobicContact CB-CB 4.09Å; E301-L345 HydrophobicContact CB-CD1 4.37Å; E301-L345 HydrophobicContact CB-CG 4.1Å; E301-L345 HydrophobicContact CG-CD1 4.19Å; E301-L345 HydrophobicContact CG-CG 4.47Å; E301-L345 PolarHBondContact O-N 2.9Å; E301-L345 VanDerWaalsContact OE1-CD1 3.31Å; E301-L345 WeakPolarHBondContact OE1-CD1 3.21Å
346	F	90.1	Very high	89.8	Confident	90 Å²	90	46.9 Å²	46.9	40%	0.395	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148	176.8	-56.5	-92.9	0	0	0	109.8	P297 E298 M299 H341 S344	P297-F346 HydrophobicContact CB-CB 3.99Å; P297-F346 HydrophobicContact CB-CD1 3.94Å; P297-F346 HydrophobicContact CB-CG 4.1Å; E298-F346 CarbonylContact O-C 3.56Å; E298-F346 VanDerWaalsContact O-CA 3.3Å; E298-F346 WeakPolarHBondContact O-CA 3.33Å; M299-F346 HydrophobicContact CB-CD1 3.96Å; M299-F346 HydrophobicContact CB-CE1 4.02Å; M299-F346 HydrophobicContact CE-CE1 3.62Å; M299-F346 HydrophobicContact CE-CZ 3.84Å; M299-F346 HydrophobicContact CG-CD1 4.36Å; M299-F346 HydrophobicContact CG-CE1 4.22Å; H341-F346 VanDerWaalsContact O-CE2 3.23Å; H341-F346 WeakPolarHBondContact O-CE2 3.49Å; H341-F346 WeakPolarHBondContact O-CZ 3.35Å; S344-F346 WeakPolarHBondContact O-CD2 3.28Å; S344-F346 WeakPolarHBondContact O-CE2 3.35Å; S344-F346 WeakPolarHBondContact OG-CE2 3.41Å; S344-F346 WeakPolarHBondContact OG-CZ 3.28Å
347	S	89.6	Confident	89.6	Confident	5 Å²	5	47.3 Å²	47.3	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	151.8	160.9	23.9	0	0	0	0	110.4	E298 Q300 N376	E298-S347 PolarHBondContact N-O 3.19Å; E298-S347 PolarHBondContact O-N 3.13Å; E298-S347 PolarHBondContact O-OG 2.94Å; Q300-S347 PolarHBondContact NE2-OG 3.48Å; S347-N376 WeakPolarHBondContact CB-OD1 3.26Å
348	D	91.5	Very high	89.1	Confident	73 Å²	73	50.7 Å²	50.7	39%	0.39	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.3	171.8	-65.4	-63.1	0	0	0	111.5	L295 N376 V379	L295-D348 HydrophobicContact CD2-CB 4.15Å; D348-N376 PolarHBondContact O-N 2.64Å; D348-V379 HydrophobicContact CB-CG2 4.27Å
349	K	90.3	Very high	88.4	Confident	34 Å²	34	55 Å²	55	15%	0.148	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.6	172.8	-164.8	-175	-151.5	123.2	0	109.3	I296 E298 F373 A374 H375	I296-K349 WeakPolarHBondContact CB-O 3.36Å; I296-K349 PolarHBondContact N-O 3.44Å; I296-K349 WeakPolarHBondContact O-CB 3.21Å; I296-K349 PolarHBondContact O-N 3.44Å; E298-K349 IonicContact OE1-NZ 2.77Å; E298-K349 PolarHBondContact OE1-NZ 2.58Å; E298-K349 WeakPolarHBondContact OE2-CD 3.36Å; E298-K349 IonicContact OE2-NZ 2.74Å; E298-K349 PolarHBondContact OE2-NZ 3.03Å; K349-F373 HydrophobicContact CD-CD1 4.15Å; K349-F373 HydrophobicContact CD-CG 4.44Å; K349-F373 HydrophobicContact CG-CB 4.41Å; K349-F373 HydrophobicContact CG-CD1 4.23Å; K349-A374 WeakPolarHBondContact CA-O 3.33Å; K349-H375 PolarHBondContact NZ-CE1 2.79Å; K349-H375 VanDerWaalsContact NZ-CE1 3.33Å
350	Q	90.7	Very high	87.6	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.5	176.3	-165.2	-177.2	34.1	0	0	110.3	S293 I352 F373 A374 V379	S293-Q350 WeakPolarHBondContact O-CG 3.4Å; S293-Q350 PolarHBondContact O-NE2 3.04Å; Q350-I352 HydrophobicContact CG-CG1 4.31Å; Q350-F373 WeakPolarHBondContact O-CA 3.23Å; Q350-A374 HydrophobicContact CB-CB 4.44Å; Q350-A374 PolarHBondContact N-O 3.06Å; Q350-A374 PolarHBondContact O-N 2.9Å; Q350-V379 HydrophobicContact CB-CB 4.45Å; Q350-V379 HydrophobicContact CB-CG1 4.09Å; Q350-V379 HydrophobicContact CB-CG2 3.95Å
351	M	90.9	Very high	87	Confident	25 Å²	25	55.3 Å²	55.3	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.6	176.5	-174.1	-179.3	55.4	0	0	110.2	T292 S293 I371 L372 F373 E552	T292-M351 CarbonylContact C-O 3.55Å; S293-M351 WeakPolarHBondContact CB-O 3.29Å; S293-M351 PolarHBondContact N-O 3.01Å; S293-M351 PolarHBondContact OG-N 2.61Å; S293-M351 PolarHBondContact OG-O 2.94Å; M351-I371 HydrophobicContact CG-CG2 3.61Å; M351-I371 HydrophobicContact SD-CG2 3.82Å; M351-L372 WeakPolarHBondContact CA-O 3.47Å; M351-F373 HydrophobicContact CB-CD1 4.02Å; M351-F373 HydrophobicContact CB-CE1 3.79Å; M351-F373 HydrophobicContact CG-CD1 4.22Å; M351-F373 HydrophobicContact CG-CE1 3.76Å; M351-F373 HydrophobicContact SD-CE1 4.24Å; M351-E552 WeakPolarHBondContact CE-OE2 3.46Å
352	I	91.6	Very high	86.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.9	-175.9	-59.6	162.4	0	0	0	108.6	V289 T292 Q350 L372 A374 V382 Y421	V289-I352 HydrophobicContact CB-CG2 4.49Å; V289-I352 HydrophobicContact CG1-CG2 3.67Å; V289-I352 HydrophobicContact CG2-CG2 3.98Å; T292-I352 HydrophobicContact CG2-CG1 4.21Å; Q350-I352 HydrophobicContact CG-CG1 4.31Å; I352-L372 HydrophobicContact CB-CB 4.26Å; I352-L372 HydrophobicContact CB-CD1 4.49Å; I352-L372 HydrophobicContact CG2-CD1 4.33Å; I352-L372 PolarHBondContact N-O 2.98Å; I352-L372 PolarHBondContact O-N 2.71Å; I352-A374 HydrophobicContact CD1-CB 3.96Å; I352-V382 HydrophobicContact CD1-CG1 3.83Å; I352-Y421 VanDerWaalsContact CD1-OH 3.24Å; I352-Y421 WeakPolarHBondContact CD1-OH 3.45Å
353	K	91.5	Very high	86.3	Confident	43 Å²	43	51 Å²	51	19%	0.187	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.4	173.9	-69.9	-172	-176.8	168	0	109.7	I290 R291 I371 E552	I290-K353 PolarHBondContact N-O 3.26Å; R291-K353 HydrophobicContact CG-CB 4Å; R291-K353 HydrophobicContact CG-CD 4.34Å; R291-K353 HydrophobicContact CG-CG 4.34Å; R291-K353 PolarHBondContact O-N 2.9Å; K353-I371 HydrophobicContact CG-CG1 4.27Å; K353-E552 IonicContact NZ-OE1 3.95Å; K353-E552 PolarHBondContact NZ-OE1 2.84Å
354	L	90.6	Very high	86.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.2	175.7	-162	75.2	0	0	0	109.8	M271 I285 M288 V289 T369 V370 L372 V388 V390	M271-L354 HydrophobicContact CE-CB 4.31Å; M271-L354 HydrophobicContact CE-CD2 3.54Å; M271-L354 HydrophobicContact CE-CG 3.8Å; I285-L354 HydrophobicContact CD1-CD2 3.74Å; I285-L354 HydrophobicContact CG1-CD2 3.97Å; M288-L354 CarbonylContact O-C 3.58Å; V289-L354 HydrophobicContact CG2-CD1 3.71Å; L354-T369 CarbonylContact O-C 3.49Å; L354-T369 WeakPolarHBondContact O-CA 3.38Å; L354-V370 PolarHBondContact N-O 3.47Å; L354-V370 PolarHBondContact O-N 2.9Å; L354-L372 HydrophobicContact CB-CD1 3.97Å; L354-L372 HydrophobicContact CB-CG 4.23Å; L354-L372 HydrophobicContact CD1-CD1 4.48Å; L354-L372 HydrophobicContact CD2-CD1 4.35Å; L354-V388 HydrophobicContact CD1-CG2 3.6Å; L354-V390 HydrophobicContact CD1-CG2 4.33Å; L354-V390 HydrophobicContact CD2-CG2 3.77Å
355	Q	89.8	Confident	85.9	Confident	55 Å²	55	52.6 Å²	52.6	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.3	178.1	-168.8	-178.1	-56.4	0	0	110.4	M271 G287 M288 I290 S357 P367 T369	M271-Q355 WeakPolarHBondContact CE-O 3.37Å; G287-Q355 CarbonylContact C-O 3.51Å; G287-Q355 WeakPolarHBondContact CA-O 3.38Å; M288-Q355 PolarHBondContact N-O 3.08Å; M288-Q355 WeakPolarHBondContact O-CB 3.22Å; M288-Q355 PolarHBondContact O-N 3.46Å; I290-Q355 HydrophobicContact CD1-CB 3.84Å; I290-Q355 HydrophobicContact CD1-CG 4.22Å; I290-Q355 HydrophobicContact CG1-CB 3.82Å; Q355-S357 PolarHBondContact O-N 3.4Å; Q355-P367 HydrophobicContact CG-CB 3.72Å; Q355-P367 HydrophobicContact CG-CG 4.2Å; Q355-T369 HydrophobicContact CG-CG2 4.45Å
356	E	87.6	Confident	85.8	Confident	3 Å²	3	54.7 Å²	54.7	1%	0.014	32%	0.322	C	S	.	.			trans	-58.2	133.5	172.4	-163.5	167.8	-123.5	0	0	111.5	M271 R272 H368	M271-E356 HydrophobicContact CB-CG 4.5Å; M271-E356 HydrophobicContact CE-CB 4.47Å; M271-E356 HydrophobicContact CG-CB 4.28Å; M271-E356 HydrophobicContact CG-CG 4.38Å; M271-E356 PolarHBondContact N-OE1 2.65Å; M271-E356 HydrophobicContact SD-CB 3.95Å; M271-E356 PolarHBondContact SD-N 2.92Å; M271-E356 VanDerWaalsContact SD-N 3.41Å; R272-E356 WeakPolarHBondContact CD-OE1 3.29Å; R272-E356 WeakPolarHBondContact CG-OE1 3.24Å; R272-E356 IonicContact CZ-OE2 3.44Å; R272-E356 IonicContact NE-OE1 3.4Å; R272-E356 PolarHBondContact NE-OE1 2.92Å; R272-E356 IonicContact NE-OE2 3.11Å; R272-E356 PolarHBondContact NE-OE2 2.69Å; R272-E356 IonicContact NH2-OE2 3.81Å; R272-E356 PolarHBondContact NH2-OE2 2.81Å; R272-E356 VanDerWaalsContact NH2-OE2 3.11Å; E356-H368 PolarHBondContact N-O 3.25Å; E356-H368 VanDerWaalsContact N-O 3.09Å
357	S	81.6	Confident	85.6	Confident	21 Å²	21	52.6 Å²	52.6	15%	0.147	32%	0.318	C	S	.	.			trans	-62	142.8	178.3	-68	0	0	0	0	111.3	Q355 E359 D360	Q355-S357 PolarHBondContact O-N 3.4Å; S357-E359 PolarHBondContact O-N 3.41Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact O-N 3.02Å
358	P	75.7	Confident	85.5	Confident	85 Å²	85	56.4 Å²	56.4	55%	0.552	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.4	-179.2	28.6	-35.5	0	0	0	113.4	D360	P358-D360 VanDerWaalsContact C-N 3.33Å
359	E	76.4	Confident	85.4	Confident	124 Å²	124	56.8 Å²	56.8	58%	0.579	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-69.9	-30.5	175.4	-58.7	-177.4	-158.7	0	0	111.9	S357 K427	S357-E359 PolarHBondContact O-N 3.41Å; E359-K427 IonicContact OE1-NZ 3.57Å; E359-K427 PolarHBondContact OE1-NZ 3.29Å; E359-K427 IonicContact OE2-NZ 2.74Å; E359-K427 PolarHBondContact OE2-NZ 3.4Å
360	D	73.7	Confident	85.5	Confident	62 Å²	62	56.1 Å²	56.1	33%	0.332	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-91.8	6.9	-175.7	-66.6	-51.7	0	0	0	113.4	N270 S286 S357 P358	N270-D360 PolarHBondContact ND2-O 3.3Å; S286-D360 PolarHBondContact OG-OD2 3.14Å; S357-D360 WeakPolarHBondContact CB-OD2 3.25Å; S357-D360 PolarHBondContact O-N 3.02Å; P358-D360 VanDerWaalsContact C-N 3.33Å
361	M	79.1	Confident	85.6	Confident	60 Å²	60	57.6 Å²	57.6	30%	0.296	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-93.1	126.9	-166.3	-175.1	-175.9	-64.1	0	0	113.4	Q365 P367	M361-Q365 VanDerWaalsContact SD-O 3.37Å; M361-P367 HydrophobicContact CE-CB 3.66Å; M361-P367 HydrophobicContact CE-CG 4.12Å
362	P	81	Confident	85.6	Confident	54 Å²	54	56.4 Å²	56.4	35%	0.351	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-69.8	134.2	169.6	29.8	-33.7	0	0	0	111.1	G364	P362-G364 PolarHBondContact O-N 3.43Å
363	A	83	Confident	85.7	Confident	102 Å²	102	58 Å²	58	84%	0.843	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	135.3	-170.6	0	0	0	0	0	114.1
364	G	83.6	Confident	85.7	Confident	89 Å²	89	55.9 Å²	55.9	92%	0.918	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	7.2	172.4	0	0	0	0	0	116.2	P362	P362-G364 PolarHBondContact O-N 3.43Å
365	Q	86.4	Confident	85.7	Confident	110 Å²	110	56.2 Å²	56.2	51%	0.514	34%	0.34	S	S	.	.			trans	-109.3	154.3	176.8	-57.2	-166.7	22.2	0	0	112.1	M361	M361-Q365 VanDerWaalsContact SD-O 3.37Å
366	T	86.5	Confident	85.6	Confident	111 Å²	111	55.8 Å²	55.8	68%	0.681	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-73.8	148	172.8	45.5	0	0	0	0	111.3	R272	R272-T366 PolarHBondContact NH2-O 3.27Å
367	P	86.2	Confident	85.4	Confident	46 Å²	46	57.8 Å²	57.8	30%	0.299	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-62.4	139.9	173.8	24.5	-32.2	0	0	0	110.7	Q355 M361	Q355-P367 HydrophobicContact CG-CB 3.72Å; Q355-P367 HydrophobicContact CG-CG 4.2Å; M361-P367 HydrophobicContact CE-CB 3.66Å; M361-P367 HydrophobicContact CE-CG 4.12Å
368	H	88.1	Confident	85.6	Confident	86 Å²	86	57.1 Å²	57.1	40%	0.398	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-83.1	157.3	170.9	-74.9	-164.9	0	0	0	110.7	E356	E356-H368 PolarHBondContact N-O 3.25Å; E356-H368 VanDerWaalsContact N-O 3.09Å
369	T	90.1	Very high	86.3	Confident	80 Å²	80	54 Å²	54	49%	0.491	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130	178	63.3	0	0	0	0	111	I290 L354 Q355	I290-T369 HydrophobicContact CD1-CG2 3.54Å; L354-T369 CarbonylContact O-C 3.49Å; L354-T369 WeakPolarHBondContact O-CA 3.38Å; Q355-T369 HydrophobicContact CG-CG2 4.45Å
370	V	90.8	Very high	86.8	Confident	20 Å²	20	52.2 Å²	52.2	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.1	177.7	176.4	0	0	0	0	109.3	M271 L274 I285 L354 L372 I416	M271-V370 HydrophobicContact CB-CG2 4.03Å; M271-V370 HydrophobicContact CG-CG2 3.99Å; M271-V370 HydrophobicContact SD-CB 4.21Å; M271-V370 HydrophobicContact SD-CG2 3.63Å; L274-V370 HydrophobicContact CD1-CG2 4.43Å; I285-V370 HydrophobicContact CD1-CG1 4.39Å; L354-V370 PolarHBondContact N-O 3.47Å; L354-V370 PolarHBondContact O-N 2.9Å; V370-L372 HydrophobicContact CG1-CD2 4.23Å; V370-I416 HydrophobicContact CG1-CD1 4.02Å; V370-I416 HydrophobicContact CG1-CG1 4.38Å
371	I	92.6	Very high	87.3	Confident	33 Å²	33	54.5 Å²	54.5	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.2	174.7	-62.9	170.7	0	0	0	108.5	M351 K353 F373 H415 I416	M351-I371 HydrophobicContact CG-CG2 3.61Å; M351-I371 HydrophobicContact SD-CG2 3.82Å; K353-I371 HydrophobicContact CG-CG1 4.27Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; I371-H415 VanDerWaalsContact O-CA 3.23Å; I371-H415 WeakPolarHBondContact O-CA 3.28Å; I371-H415 WeakPolarHBondContact O-CB 3.39Å; I371-I416 PolarHBondContact O-N 2.81Å
372	L	92.7	Very high	87.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	151	174.2	-47	176.8	0	0	0	109.7	I285 M351 I352 L354 V370 V390 I416 V418 Y421	I285-L372 HydrophobicContact CD1-CD2 4.38Å; M351-L372 WeakPolarHBondContact CA-O 3.47Å; I352-L372 HydrophobicContact CB-CB 4.26Å; I352-L372 HydrophobicContact CB-CD1 4.49Å; I352-L372 HydrophobicContact CG2-CD1 4.33Å; I352-L372 PolarHBondContact N-O 2.98Å; I352-L372 PolarHBondContact O-N 2.71Å; L354-L372 HydrophobicContact CB-CD1 3.97Å; L354-L372 HydrophobicContact CB-CG 4.23Å; L354-L372 HydrophobicContact CD1-CD1 4.48Å; L354-L372 HydrophobicContact CD2-CD1 4.35Å; V370-L372 HydrophobicContact CG1-CD2 4.23Å; L372-V390 HydrophobicContact CD1-CG1 4.02Å; L372-V390 HydrophobicContact CD1-CG2 3.93Å; L372-V390 HydrophobicContact CD2-CG1 4.24Å; L372-I416 CarbonylContact C-O 3.6Å; L372-I416 VanDerWaalsContact CA-O 3.3Å; L372-I416 WeakPolarHBondContact CA-O 3.28Å; L372-I416 HydrophobicContact CD2-CB 3.88Å; L372-I416 HydrophobicContact CD2-CD1 4.35Å; L372-I416 HydrophobicContact CD2-CG2 4.42Å; L372-V418 HydrophobicContact CB-CG2 3.91Å; L372-V418 HydrophobicContact CD1-CG2 4.29Å; L372-V418 HydrophobicContact CD2-CG2 4.41Å; L372-V418 HydrophobicContact CG-CG2 4.43Å; L372-Y421 HydrophobicContact CD1-CE1 4.26Å
373	F	93.5	Very high	87.8	Confident	33 Å²	33	52.4 Å²	52.4	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.8	159	-65	-63.6	0	0	0	110.2	K349 Q350 M351 I371 H415 I416 V418	K349-F373 HydrophobicContact CD-CD1 4.15Å; K349-F373 HydrophobicContact CD-CG 4.44Å; K349-F373 HydrophobicContact CG-CB 4.41Å; K349-F373 HydrophobicContact CG-CD1 4.23Å; Q350-F373 WeakPolarHBondContact O-CA 3.23Å; M351-F373 HydrophobicContact CB-CD1 4.02Å; M351-F373 HydrophobicContact CB-CE1 3.79Å; M351-F373 HydrophobicContact CG-CD1 4.22Å; M351-F373 HydrophobicContact CG-CE1 3.76Å; M351-F373 HydrophobicContact SD-CE1 4.24Å; I371-F373 HydrophobicContact CG2-CZ 4.49Å; F373-H415 HydrophobicContact CD2-CB 4.26Å; F373-H415 AromaticContact CD2-CD2 3.45Å; F373-H415 VanDerWaalsContact CD2-CD2 3.45Å; F373-H415 WeakPolarHBondContact CD2-CD2 3.34Å; F373-H415 AromaticContact CD2-CG 3.95Å; F373-H415 HydrophobicContact CE2-CB 4.06Å; F373-H415 AromaticContact CE2-CD2 3.56Å; F373-H415 AromaticContact CE2-CG 3.69Å; F373-I416 PolarHBondContact N-O 2.91Å; F373-V418 PolarHBondContact O-N 2.73Å
374	A	91.4	Very high	87.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	146.9	164.4	0	0	0	0	0	109.3	K349 Q350 I352 L378 V379 Y421	K349-A374 WeakPolarHBondContact CA-O 3.33Å; Q350-A374 HydrophobicContact CB-CB 4.44Å; Q350-A374 PolarHBondContact N-O 3.06Å; Q350-A374 PolarHBondContact O-N 2.9Å; I352-A374 HydrophobicContact CD1-CB 3.96Å; A374-L378 HydrophobicContact CB-CB 4.15Å; A374-V379 HydrophobicContact CB-CG2 4.45Å; A374-Y421 HydrophobicContact CB-CE2 4.32Å
375	H	89.9	Confident	87.6	Confident	6 Å²	6	47.7 Å²	47.7	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143	-177.7	-74.6	-102.4	0	0	0	110.5	D117 E298 K349 D377 L378	D117-H375 HydrophobicContact CB-CB 4.02Å; D117-H375 WeakPolarHBondContact OD1-CB 3.41Å; E298-H375 IonicContact OE2-CE1 3.05Å; E298-H375 PolarHBondContact OE2-CE1 2.67Å; E298-H375 IonicContact OE2-ND1 3.36Å; K349-H375 PolarHBondContact NZ-CE1 2.79Å; K349-H375 VanDerWaalsContact NZ-CE1 3.33Å; H375-D377 PolarHBondContact O-N 3.37Å; H375-L378 PolarHBondContact O-N 3.44Å
376	N	86.8	Confident	87.4	Confident	46 Å²	46	43.7 Å²	43.7	25%	0.246	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	50.3	-124.1	172.9	-59.1	-58.4	0	0	0	112.4	D117 S347 D348 L378 V379	D117-N376 PolarHBondContact OD1-ND2 2.89Å; S347-N376 WeakPolarHBondContact CB-OD1 3.26Å; D348-N376 PolarHBondContact O-N 2.64Å; N376-L378 PolarHBondContact O-N 2.63Å; N376-L378 VanDerWaalsContact O-N 3.12Å; N376-V379 VanDerWaalsContact O-CB 3.28Å; N376-V379 WeakPolarHBondContact O-CB 3.38Å; N376-V379 VanDerWaalsContact O-CG2 3.25Å; N376-V379 WeakPolarHBondContact O-CG2 3.42Å; N376-V379 PolarHBondContact O-N 3.49Å; N376-V379 VanDerWaalsContact O-N 3.15Å
377	D	84.2	Confident	87.2	Confident	45 Å²	45	40.8 Å²	40.8	24%	0.241	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-59.7	-22	-178.5	169.7	76.2	0	0	0	114.1	F207 R261 H375 V379 K381	F207-D377 HydrophobicContact CE1-CB 4.25Å; F207-D377 HydrophobicContact CE2-CB 4.45Å; F207-D377 HydrophobicContact CZ-CB 3.72Å; R261-D377 IonicContact CZ-OD2 2.65Å; R261-D377 VanDerWaalsContact CZ-OD2 3.24Å; R261-D377 IonicContact NH1-OD2 3.03Å; R261-D377 PolarHBondContact NH1-OD2 3.15Å; R261-D377 IonicContact NH2-OD2 3.93Å; R261-D377 PolarHBondContact NH2-OD2 3.14Å; H375-D377 PolarHBondContact O-N 3.37Å; D377-V379 PolarHBondContact O-N 3.25Å; D377-K381 WeakPolarHBondContact O-CE 3.48Å; D377-K381 VanDerWaalsContact O-CG 3.27Å; D377-K381 WeakPolarHBondContact O-CG 3.47Å; D377-K381 WeakPolarHBondContact OD1-CE 3.23Å; D377-K381 IonicContact OD1-NZ 2.78Å; D377-K381 PolarHBondContact OD1-NZ 3.16Å; D377-K381 IonicContact OD2-NZ 3.77Å
378	L	86.6	Confident	87.3	Confident	8 Å²	8	38.6 Å²	38.6	4%	0.042	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-74.8	-5.7	179.2	-62.6	172.8	0	0	0	113.7	A374 H375 N376 V418 I419 Y421	A374-L378 HydrophobicContact CB-CB 4.15Å; H375-L378 PolarHBondContact O-N 3.44Å; N376-L378 PolarHBondContact O-N 2.63Å; N376-L378 VanDerWaalsContact O-N 3.12Å; L378-V418 WeakPolarHBondContact CD1-O 3.5Å; L378-I419 WeakPolarHBondContact CD1-O 3.34Å; L378-Y421 HydrophobicContact CB-CE2 4.25Å; L378-Y421 HydrophobicContact CD2-CD2 4.37Å
379	V	89.5	Confident	87.3	Confident	20 Å²	20	37.4 Å²	37.4	12%	0.121	20%	0.203	C	C	.	.	S	Bend	trans	-69.3	137.9	176.6	170.8	0	0	0	0	111	L295 D348 Q350 A374 N376 D377 K381	L295-V379 HydrophobicContact CD1-CG1 3.91Å; L295-V379 HydrophobicContact CD2-CG1 3.97Å; L295-V379 HydrophobicContact CG-CG1 3.7Å; D348-V379 HydrophobicContact CB-CG2 4.27Å; Q350-V379 HydrophobicContact CB-CB 4.45Å; Q350-V379 HydrophobicContact CB-CG1 4.09Å; Q350-V379 HydrophobicContact CB-CG2 3.95Å; A374-V379 HydrophobicContact CB-CG2 4.45Å; N376-V379 VanDerWaalsContact O-CB 3.28Å; N376-V379 WeakPolarHBondContact O-CB 3.38Å; N376-V379 VanDerWaalsContact O-CG2 3.25Å; N376-V379 WeakPolarHBondContact O-CG2 3.42Å; N376-V379 PolarHBondContact O-N 3.49Å; N376-V379 VanDerWaalsContact O-N 3.15Å; D377-V379 PolarHBondContact O-N 3.25Å; V379-K381 PolarHBondContact O-N 3.05Å
380	D	87.5	Confident	87.3	Confident	85 Å²	85	33.7 Å²	33.7	46%	0.455	18%	0.18	S	C	.	.	S	Bend	trans	59.7	-0.1	176.8	-141.5	32.5	0	0	0	117.3	V382 Q383	D380-V382 PolarHBondContact O-N 3.32Å; D380-V382 VanDerWaalsContact O-N 3.14Å; D380-Q383 PolarHBondContact O-NE2 3.09Å; D380-Q383 PolarHBondContact OD1-NE2 2.91Å; D380-Q383 VanDerWaalsContact OD1-NE2 3.07Å
381	K	84.9	Confident	87.3	Confident	110 Å²	110	33 Å²	33	48%	0.478	18%	0.176	S	C	.	.	S	Bend	trans	-61.6	-16.5	173.2	-59.6	-74.9	-176.5	169.4	0	114.1	D377 V379	D377-K381 WeakPolarHBondContact O-CE 3.48Å; D377-K381 VanDerWaalsContact O-CG 3.27Å; D377-K381 WeakPolarHBondContact O-CG 3.47Å; D377-K381 WeakPolarHBondContact OD1-CE 3.23Å; D377-K381 IonicContact OD1-NZ 2.78Å; D377-K381 PolarHBondContact OD1-NZ 3.16Å; D377-K381 IonicContact OD2-NZ 3.77Å; V379-K381 PolarHBondContact O-N 3.05Å
382	V	86.1	Confident	87.2	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.168	C	C	.	.	S	Bend	trans	-124.9	132	179.9	65.9	0	0	0	0	110.8	V289 T292 I352 D380 D386 V388 Y421	V289-V382 HydrophobicContact CB-CG2 4.48Å; V289-V382 HydrophobicContact CG2-CG1 4.37Å; V289-V382 HydrophobicContact CG2-CG2 3.65Å; T292-V382 WeakPolarHBondContact CG2-O 3.46Å; I352-V382 HydrophobicContact CD1-CG1 3.83Å; D380-V382 PolarHBondContact O-N 3.32Å; D380-V382 VanDerWaalsContact O-N 3.14Å; V382-D386 HydrophobicContact CG2-CB 3.72Å; V382-V388 HydrophobicContact CB-CG1 4.49Å; V382-V388 HydrophobicContact CG2-CG1 3.55Å; V382-V388 HydrophobicContact CG2-CG2 4.21Å; V382-Y421 HydrophobicContact CG1-CE1 4.28Å; V382-Y421 HydrophobicContact CG1-CE2 4.35Å
383	Q	83.9	Confident	87.2	Confident	70 Å²	70	31.4 Å²	31.4	33%	0.327	17%	0.168	S	C	.	.			trans	-106.8	156.1	-175.3	-67.3	-60	-41.5	0	0	112.1	D380 G385 D386	D380-Q383 PolarHBondContact O-NE2 3.09Å; D380-Q383 PolarHBondContact OD1-NE2 2.91Å; D380-Q383 VanDerWaalsContact OD1-NE2 3.07Å; Q383-G385 PolarHBondContact O-N 2.96Å; Q383-D386 PolarHBondContact N-OD2 2.98Å; Q383-D386 VanDerWaalsContact O-CB 3.3Å; Q383-D386 WeakPolarHBondContact O-CB 3.46Å; Q383-D386 VanDerWaalsContact O-CG 3.31Å; Q383-D386 PolarHBondContact O-N 3.16Å; Q383-D386 VanDerWaalsContact O-N 3.12Å
384	P	83.9	Confident	87.1	Confident	53 Å²	53	30.8 Å²	30.8	34%	0.344	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	126.2	177	-24.3	35.2	0	0	0	112.3	T292	T292-P384 HydrophobicContact CG2-CG 4.45Å
385	G	77.4	Confident	87.1	Confident	38 Å²	38	32.1 Å²	32.1	39%	0.392	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-17.8	-174.2	0	0	0	0	0	114.8	V289 Q383	V289-G385 PolarHBondContact O-N 2.94Å; Q383-G385 PolarHBondContact O-N 2.96Å
386	D	82.4	Confident	87.1	Confident	26 Å²	26	33.2 Å²	33.2	14%	0.139	18%	0.18	C	C	.	.			trans	-62.2	144.5	178.2	-72.5	-1.3	0	0	0	111.8	M288 V289 V382 Q383 V388 K423	M288-D386 WeakPolarHBondContact CA-O 3.33Å; V289-D386 PolarHBondContact N-O 2.74Å; V382-D386 HydrophobicContact CG2-CB 3.72Å; Q383-D386 PolarHBondContact N-OD2 2.98Å; Q383-D386 VanDerWaalsContact O-CB 3.3Å; Q383-D386 WeakPolarHBondContact O-CB 3.46Å; Q383-D386 VanDerWaalsContact O-CG 3.31Å; Q383-D386 PolarHBondContact O-N 3.16Å; Q383-D386 VanDerWaalsContact O-N 3.12Å; D386-V388 HydrophobicContact CB-CG1 4.36Å; D386-K423 WeakPolarHBondContact OD2-CE 3.23Å; D386-K423 IonicContact OD2-NZ 2.66Å; D386-K423 PolarHBondContact OD2-NZ 2.74Å
387	R	83.8	Confident	87.3	Confident	50 Å²	50	34.5 Å²	34.5	19%	0.189	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.5	171.4	-67.1	-179.6	-179.3	-169.2	-0.1	109.2	G287 M288 T424	G287-R387 WeakPolarHBondContact O-CA 3.4Å; M288-R387 HydrophobicContact CE-CG 4.34Å; R387-T424 PolarHBondContact O-N 3.05Å
388	V	86.9	Confident	87.6	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.4	-175.6	-70.4	0	0	0	0	112.5	G287 V289 L354 V382 D386 V390 Y421 R422 K423	G287-V388 PolarHBondContact N-O 3.02Å; G287-V388 PolarHBondContact O-N 2.92Å; V289-V388 HydrophobicContact CG2-CG2 3.95Å; L354-V388 HydrophobicContact CD1-CG2 3.6Å; V382-V388 HydrophobicContact CB-CG1 4.49Å; V382-V388 HydrophobicContact CG2-CG1 3.55Å; V382-V388 HydrophobicContact CG2-CG2 4.21Å; D386-V388 HydrophobicContact CB-CG1 4.36Å; V388-V390 HydrophobicContact CB-CG2 4.28Å; V388-V390 HydrophobicContact CG2-CG2 3.69Å; V388-Y421 HydrophobicContact CB-CD1 4.38Å; V388-Y421 HydrophobicContact CG2-CD1 4.39Å; V388-R422 WeakPolarHBondContact CA-O 3.48Å; V388-K423 HydrophobicContact CG1-CG 4.18Å
389	N	88.7	Confident	87.7	Confident	62 Å²	62	37.6 Å²	37.6	33%	0.332	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.4	160.5	-68.9	-1.6	0	0	0	107.3	I285 R422 T424	I285-N389 CarbonylContact O-C 3.59Å; I285-N389 WeakPolarHBondContact O-CA 3.29Å; N389-R422 HydrophobicContact CB-CB 4.4Å; N389-R422 PolarHBondContact N-O 3.17Å; N389-R422 PolarHBondContact O-N 3.17Å; N389-T424 PolarHBondContact ND2-OG1 2.85Å; N389-T424 PolarHBondContact OD1-OG1 2.73Å
390	V	90	Very high	87.6	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.9	-175.6	-172.9	0	0	0	0	108.9	T284 I285 L354 L372 V388 V418 Y421	T284-V390 WeakPolarHBondContact CA-O 3.21Å; I285-V390 HydrophobicContact CG1-CB 4.12Å; I285-V390 PolarHBondContact N-O 3.45Å; I285-V390 PolarHBondContact O-N 2.92Å; L354-V390 HydrophobicContact CD1-CG2 4.33Å; L354-V390 HydrophobicContact CD2-CG2 3.77Å; L372-V390 HydrophobicContact CD1-CG1 4.02Å; L372-V390 HydrophobicContact CD1-CG2 3.93Å; L372-V390 HydrophobicContact CD2-CG1 4.24Å; V388-V390 HydrophobicContact CB-CG2 4.28Å; V388-V390 HydrophobicContact CG2-CG2 3.69Å; V390-V418 HydrophobicContact CG1-CB 4.2Å; V390-V418 HydrophobicContact CG1-CG1 3.68Å; V390-V418 HydrophobicContact CG1-CG2 3.47Å; V390-V418 VanDerWaalsContact CG1-CG2 3.47Å; V390-Y421 HydrophobicContact CB-CD1 4.48Å; V390-Y421 HydrophobicContact CB-CE1 4.45Å; V390-Y421 HydrophobicContact CG1-CD1 4.25Å; V390-Y421 HydrophobicContact CG1-CE1 3.92Å; V390-Y421 HydrophobicContact CG2-CD1 3.9Å; V390-Y421 HydrophobicContact CG2-CE1 3.83Å
391	T	90.5	Very high	87.5	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.2	176.7	66.2	0	0	0	0	109.6	P262 F263 T284 I419 H420	P262-T391 PolarHBondContact O-OG1 3.16Å; F263-T391 HydrophobicContact CB-CG2 4.33Å; T284-T391 HydrophobicContact CG2-CG2 3.51Å; T391-I419 PolarHBondContact O-N 3.16Å; T391-H420 PolarHBondContact N-O 3.08Å; T391-H420 PolarHBondContact O-N 2.99Å; T391-H420 WeakPolarHBondContact OG1-CB 3.3Å; T391-H420 PolarHBondContact OG1-O 2.75Å
392	G	91.3	Very high	87.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	177.3	-169.4	0	0	0	0	0	114.4	I283 D417	I283-G392 PolarHBondContact N-O 2.86Å; I283-G392 PolarHBondContact O-N 3.06Å; I283-G392 VanDerWaalsContact O-N 3.09Å; G392-D417 CarbonylContact C-O 3.52Å; G392-D417 WeakPolarHBondContact CA-O 3.36Å
393	I	91.8	Very high	87.6	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.8	-178.6	-55.6	178.2	0	0	0	109.1	L118 P230 Q231 D280 R395 I416 D417 I419	L118-I393 HydrophobicContact CD2-CD1 3.64Å; P230-I393 HydrophobicContact CB-CD1 4.07Å; P230-I393 HydrophobicContact CB-CG1 4.23Å; P230-I393 HydrophobicContact CG-CD1 3.88Å; P230-I393 HydrophobicContact CG-CG1 3.89Å; Q231-I393 HydrophobicContact CB-CD1 4.42Å; D280-I393 HydrophobicContact CB-CG2 4.48Å; I393-R395 HydrophobicContact CG2-CG 4.14Å; I393-R395 PolarHBondContact O-N 3.37Å; I393-I416 WeakPolarHBondContact O-CA 3.5Å; I393-D417 PolarHBondContact N-O 3.38Å; I393-D417 PolarHBondContact O-N 3.07Å; I393-I419 HydrophobicContact CD1-CD1 4.13Å; I393-I419 HydrophobicContact CG1-CD1 3.75Å
394	Y	91.7	Very high	87.8	Confident	20 Å²	20	58 Å²	58	8%	0.078	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	111.5	179.3	-177.1	-127.8	0	0	0	111.6	L274 I279 D280 Q281 I283 T414 I416	L274-Y394 HydrophobicContact CB-CE1 4.39Å; L274-Y394 HydrophobicContact CD1-CE2 4.08Å; I279-Y394 HydrophobicContact CG1-CD1 4.14Å; I279-Y394 HydrophobicContact CG1-CE1 4.21Å; D280-Y394 PolarHBondContact N-O 3.26Å; Q281-Y394 PolarHBondContact O-N 2.95Å; I283-Y394 HydrophobicContact CD1-CD1 4.21Å; I283-Y394 HydrophobicContact CD1-CG 4Å; Y394-T414 HydrophobicContact CE1-CG2 4.45Å; Y394-T414 HydrophobicContact CE2-CG2 4.12Å; Y394-T414 WeakPolarHBondContact OH-CG2 3.47Å; Y394-T414 PolarHBondContact OH-OG1 3.31Å; Y394-I416 HydrophobicContact CD2-CG1 3.84Å
395	R	90.9	Very high	88.1	Confident	27 Å²	27	58.8 Å²	58.8	10%	0.102	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149	-174.9	-62.9	-148.8	-166.7	-97	15.1	113.3	D280 I393 T414 H415 D417	D280-R395 IonicContact OD1-CZ 3.78Å; D280-R395 IonicContact OD1-NH1 3.41Å; D280-R395 PolarHBondContact OD1-NH1 2.85Å; I393-R395 HydrophobicContact CG2-CG 4.14Å; I393-R395 PolarHBondContact O-N 3.37Å; R395-T414 CarbonylContact O-C 3.58Å; R395-T414 VanDerWaalsContact O-CA 3.22Å; R395-T414 WeakPolarHBondContact O-CA 3.42Å; R395-H415 PolarHBondContact N-O 3.27Å; R395-H415 PolarHBondContact O-N 3.3Å; R395-D417 WeakPolarHBondContact CD-OD2 3.28Å; R395-D417 IonicContact CZ-OD2 2.74Å; R395-D417 IonicContact NE-OD2 2.73Å; R395-D417 PolarHBondContact NE-OD2 3.18Å
396	A	91.1	Very high	88.6	Confident	29 Å²	29	61.8 Å²	61.8	24%	0.24	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.7	177	0	0	0	0	0	110.6	I279 Y412 T414	I279-A396 HydrophobicContact CD1-CB 4.08Å; I279-A396 HydrophobicContact CG2-CB 4.48Å; A396-Y412 HydrophobicContact CB-CD1 4.31Å; A396-T414 HydrophobicContact CB-CG2 4Å
397	V	89.9	Confident	88.9	Confident	74 Å²	74	65.5 Å²	65.5	45%	0.448	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.3	-179.7	160.7	0	0	0	0	111.3	K413	V397-K413 PolarHBondContact N-O 3.35Å; V397-K413 PolarHBondContact O-N 2.85Å
398	P	91.9	Very high	89.3	Confident	54 Å²	54	66.7 Å²	66.7	35%	0.351	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	131.5	-178.8	27.8	-32.7	0	0	0	111.2	V408 Y412	P398-V408 HydrophobicContact CB-CB 4.19Å; P398-V408 HydrophobicContact CB-CG1 4.04Å; P398-Y412 HydrophobicContact CB-CD1 3.9Å; P398-Y412 HydrophobicContact CB-CE1 3.62Å; P398-Y412 HydrophobicContact CB-CG 4.5Å; P398-Y412 HydrophobicContact CG-CD1 4.31Å; P398-Y412 HydrophobicContact CG-CE1 3.87Å
399	I	88.5	Confident	89.4	Confident	64 Å²	64	71.2 Å²	71.2	33%	0.328	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.6	175.5	55.1	175.5	0	0	0	110.9	K409 K413	I399-K409 HydrophobicContact CD1-CD 3.9Å; I399-K409 HydrophobicContact CG1-CB 4.09Å; I399-K409 HydrophobicContact CG1-CD 4Å; I399-K409 HydrophobicContact CG1-CG 4.29Å; I399-K409 PolarHBondContact O-N 3Å; I399-K413 HydrophobicContact CG2-CB 3.7Å
400	R	86.9	Confident	89.4	Confident	164 Å²	164	73.9 Å²	73.9	62%	0.619	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	144.5	175.4	-62	-176.8	-169.4	166	5.7	110.5	V408	R400-V408 HydrophobicContact CG-CG1 4.42Å
401	I	85.6	Confident	89.5	Confident	90 Å²	90	79 Å²	79	46%	0.462	42%	0.424	S	S	.	.	S	Bend	trans	-68.4	-47.3	177.4	-66.6	168.5	0	0	0	110.3	N407 K409	I401-N407 HydrophobicContact CD1-CB 4.29Å; I401-N407 PolarHBondContact N-O 3.09Å; I401-K409 HydrophobicContact CD1-CG 4.43Å; I401-K409 HydrophobicContact CG1-CD 4.45Å; I401-K409 HydrophobicContact CG1-CG 3.48Å; I401-K409 VanDerWaalsContact CG1-CG 3.48Å
402	N	87.3	Confident	89.6	Confident	100 Å²	100	84.7 Å²	84.7	54%	0.535	45%	0.446	S	S	.	.	S	Bend	trans	-135.1	133.3	179.4	-86.4	-39.3	0	0	0	107.5	R404 V405	N402-R404 PolarHBondContact O-N 2.99Å; N402-R404 VanDerWaalsContact O-N 3.11Å; N402-V405 HydrophobicContact CB-CG2 3.76Å; N402-V405 PolarHBondContact O-N 2.85Å; N402-V405 VanDerWaalsContact O-O 3.14Å
403	P	85.7	Confident	89.6	Confident	117 Å²	117	88.8 Å²	88.8	76%	0.76	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.3	-172.2	25.3	-34.7	0	0	0	114.2
404	R	87.6	Confident	89.6	Confident	243 Å²	243	91.4 Å²	91.4	92%	0.917	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-12.3	179.9	-66.4	-176.7	178.4	175	-1.2	114.9	N402	N402-R404 PolarHBondContact O-N 2.99Å; N402-R404 VanDerWaalsContact O-N 3.11Å
405	V	90.3	Very high	89.7	Confident	70 Å²	70	91.2 Å²	91.2	42%	0.424	48%	0.48	S	S	.	.	S	Bend	trans	-125.9	154.3	-177.7	-67.1	0	0	0	0	110.9	N402 N407	N402-V405 HydrophobicContact CB-CG2 3.76Å; N402-V405 PolarHBondContact O-N 2.85Å; N402-V405 VanDerWaalsContact O-O 3.14Å; V405-N407 HydrophobicContact CG2-CB 4.37Å; V405-N407 PolarHBondContact O-N 2.65Å
406	S	87.4	Confident	89.7	Confident	101 Å²	101	90.1 Å²	90.1	71%	0.706	48%	0.476	S	S	*	.			trans	-70.4	-14.3	-179.1	42.5	0	0	0	0	114.2	V408	S406-V408 PolarHBondContact O-N 3.03Å; S406-V408 VanDerWaalsContact O-N 3.15Å
407	N	90.3	Very high	89.8	Confident	103 Å²	103	89.3 Å²	89.3	55%	0.551	47%	0.467	S	S	*	.			trans	-62.6	114	-174.4	-65.7	2.8	0	0	0	112.5	I401 V405	I401-N407 HydrophobicContact CD1-CB 4.29Å; I401-N407 PolarHBondContact N-O 3.09Å; V405-N407 HydrophobicContact CG2-CB 4.37Å; V405-N407 PolarHBondContact O-N 2.65Å
408	V	91	Very high	89.9	Confident	75 Å²	75	85.8 Å²	85.8	46%	0.455	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	157.2	174.3	-66.8	0	0	0	0	112.1	P398 R400 S406	P398-V408 HydrophobicContact CB-CB 4.19Å; P398-V408 HydrophobicContact CB-CG1 4.04Å; R400-V408 HydrophobicContact CG-CG1 4.42Å; S406-V408 PolarHBondContact O-N 3.03Å; S406-V408 VanDerWaalsContact O-N 3.15Å
409	K	89.2	Confident	89.8	Confident	96 Å²	96	83.7 Å²	83.7	42%	0.417	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	148.3	166.5	-65.4	-173.5	-171.7	179.6	0	110.1	I399 I401 V411	I399-K409 HydrophobicContact CD1-CD 3.9Å; I399-K409 HydrophobicContact CG1-CB 4.09Å; I399-K409 HydrophobicContact CG1-CD 4Å; I399-K409 HydrophobicContact CG1-CG 4.29Å; I399-K409 PolarHBondContact O-N 3Å; I401-K409 HydrophobicContact CD1-CG 4.43Å; I401-K409 HydrophobicContact CG1-CD 4.45Å; I401-K409 HydrophobicContact CG1-CG 3.48Å; I401-K409 VanDerWaalsContact CG1-CG 3.48Å; K409-V411 PolarHBondContact O-N 3.41Å
410	S	89.7	Confident	89.9	Confident	118 Å²	118	81.6 Å²	81.6	83%	0.825	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	-26.1	170.9	-168	0	0	0	0	112.6	Y412	S410-Y412 WeakPolarHBondContact O-CD2 3.25Å
411	V	91.9	Very high	89.9	Confident	109 Å²	109	75.1 Å²	75.1	66%	0.661	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.7	172.6	-176.6	0	0	0	0	109.5	K409	K409-V411 PolarHBondContact O-N 3.41Å
412	Y	92.4	Very high	89.9	Confident	124 Å²	124	76 Å²	76	49%	0.486	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	149.3	175	-71.9	-118.5	0	0	0	110	A396 P398 S410	A396-Y412 HydrophobicContact CB-CD1 4.31Å; P398-Y412 HydrophobicContact CB-CD1 3.9Å; P398-Y412 HydrophobicContact CB-CE1 3.62Å; P398-Y412 HydrophobicContact CB-CG 4.5Å; P398-Y412 HydrophobicContact CG-CD1 4.31Å; P398-Y412 HydrophobicContact CG-CE1 3.87Å; S410-Y412 WeakPolarHBondContact O-CD2 3.25Å
413	K	91.3	Very high	89.6	Confident	85 Å²	85	75.2 Å²	75.2	37%	0.37	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121	170.5	-178.5	-167.4	172.3	-165	0	108.7	V397 I399	V397-K413 PolarHBondContact N-O 3.35Å; V397-K413 PolarHBondContact O-N 2.85Å; I399-K413 HydrophobicContact CG2-CB 3.7Å
414	T	91.6	Very high	88.7	Confident	57 Å²	57	72.4 Å²	72.4	35%	0.35	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	154.6	176.7	55	0	0	0	0	112.8	Y394 R395 A396	Y394-T414 HydrophobicContact CE1-CG2 4.45Å; Y394-T414 HydrophobicContact CE2-CG2 4.12Å; Y394-T414 WeakPolarHBondContact OH-CG2 3.47Å; Y394-T414 PolarHBondContact OH-OG1 3.31Å; R395-T414 CarbonylContact O-C 3.58Å; R395-T414 VanDerWaalsContact O-CA 3.22Å; R395-T414 WeakPolarHBondContact O-CA 3.42Å; A396-T414 HydrophobicContact CB-CG2 4Å
415	H	93.3	Very high	87.6	Confident	16 Å²	16	63 Å²	63	7%	0.074	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	172.9	175.7	50.7	-81.3	0	0	0	109	I371 F373 R395 D417	I371-H415 VanDerWaalsContact O-CA 3.23Å; I371-H415 WeakPolarHBondContact O-CA 3.28Å; I371-H415 WeakPolarHBondContact O-CB 3.39Å; F373-H415 HydrophobicContact CD2-CB 4.26Å; F373-H415 AromaticContact CD2-CD2 3.45Å; F373-H415 VanDerWaalsContact CD2-CD2 3.45Å; F373-H415 WeakPolarHBondContact CD2-CD2 3.34Å; F373-H415 AromaticContact CD2-CG 3.95Å; F373-H415 HydrophobicContact CE2-CB 4.06Å; F373-H415 AromaticContact CE2-CD2 3.56Å; F373-H415 AromaticContact CE2-CG 3.69Å; R395-H415 PolarHBondContact N-O 3.27Å; R395-H415 PolarHBondContact O-N 3.3Å; H415-D417 IonicContact CD2-OD1 2.76Å; H415-D417 PolarHBondContact CD2-OD1 3.24Å; H415-D417 IonicContact NE2-OD1 2.78Å
416	I	92	Very high	86	Confident	3 Å²	3	64 Å²	64	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.6	173.7	-63.8	169.3	0	0	0	109	I285 V370 I371 L372 F373 I393 Y394	I285-I416 HydrophobicContact CD1-CD1 3.54Å; I285-I416 HydrophobicContact CG1-CD1 4.3Å; V370-I416 HydrophobicContact CG1-CD1 4.02Å; V370-I416 HydrophobicContact CG1-CG1 4.38Å; I371-I416 PolarHBondContact O-N 2.81Å; L372-I416 CarbonylContact C-O 3.6Å; L372-I416 VanDerWaalsContact CA-O 3.3Å; L372-I416 WeakPolarHBondContact CA-O 3.28Å; L372-I416 HydrophobicContact CD2-CB 3.88Å; L372-I416 HydrophobicContact CD2-CD1 4.35Å; L372-I416 HydrophobicContact CD2-CG2 4.42Å; F373-I416 PolarHBondContact N-O 2.91Å; I393-I416 WeakPolarHBondContact O-CA 3.5Å; Y394-I416 HydrophobicContact CD2-CG1 3.84Å
417	D	92.6	Very high	84.4	Confident	12 Å²	12	65.4 Å²	65.4	6%	0.064	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.9	168.6	-64.7	-15.8	0	0	0	107.7	G392 I393 R395 H415	G392-D417 CarbonylContact C-O 3.52Å; G392-D417 WeakPolarHBondContact CA-O 3.36Å; I393-D417 PolarHBondContact N-O 3.38Å; I393-D417 PolarHBondContact O-N 3.07Å; R395-D417 WeakPolarHBondContact CD-OD2 3.28Å; R395-D417 IonicContact CZ-OD2 2.74Å; R395-D417 IonicContact NE-OD2 2.73Å; R395-D417 PolarHBondContact NE-OD2 3.18Å; H415-D417 IonicContact CD2-OD1 2.76Å; H415-D417 PolarHBondContact CD2-OD1 3.24Å; H415-D417 IonicContact NE2-OD1 2.78Å
418	V	91.9	Very high	83	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.6	-170.3	-176.1	0	0	0	0	111.6	L372 F373 L378 V390 H420 Y421	L372-V418 HydrophobicContact CB-CG2 3.91Å; L372-V418 HydrophobicContact CD1-CG2 4.29Å; L372-V418 HydrophobicContact CD2-CG2 4.41Å; L372-V418 HydrophobicContact CG-CG2 4.43Å; F373-V418 PolarHBondContact O-N 2.73Å; L378-V418 WeakPolarHBondContact CD1-O 3.5Å; V390-V418 HydrophobicContact CG1-CB 4.2Å; V390-V418 HydrophobicContact CG1-CG1 3.68Å; V390-V418 HydrophobicContact CG1-CG2 3.47Å; V390-V418 VanDerWaalsContact CG1-CG2 3.47Å; V418-H420 WeakPolarHBondContact CG1-O 3.38Å; V418-Y421 HydrophobicContact CB-CE2 4.47Å; V418-Y421 HydrophobicContact CG1-CD1 4.18Å; V418-Y421 HydrophobicContact CG1-CD2 4.18Å; V418-Y421 HydrophobicContact CG1-CE1 3.86Å; V418-Y421 HydrophobicContact CG1-CE2 3.86Å; V418-Y421 HydrophobicContact CG1-CG 4.32Å; V418-Y421 HydrophobicContact CG2-CE1 4.3Å
419	I	90.1	Very high	81.5	Confident	9 Å²	9	58.7 Å²	58.7	5%	0.046	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-32	176	-65.8	159	0	0	0	111.4	I234 P262 L282 L378 T391 I393	I234-I419 HydrophobicContact CD1-CD1 3.59Å; I234-I419 HydrophobicContact CD1-CG1 4.43Å; P262-I419 HydrophobicContact CG-CG2 4Å; L282-I419 HydrophobicContact CD1-CD1 3.69Å; L378-I419 WeakPolarHBondContact CD1-O 3.34Å; T391-I419 PolarHBondContact O-N 3.16Å; I393-I419 HydrophobicContact CD1-CD1 4.13Å; I393-I419 HydrophobicContact CG1-CD1 3.75Å
420	H	89.5	Confident	80.3	Confident	21 Å²	21	58.3 Å²	58.3	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	151.5	179.2	168.6	103.6	0	0	0	111.7	N209 R261 F263 T391 V418	N209-H420 PolarHBondContact OD1-ND1 3.48Å; N209-H420 VanDerWaalsContact OD1-ND1 3.11Å; R261-H420 HydrophobicContact CB-CB 4.24Å; F263-H420 HydrophobicContact CB-CB 4.46Å; F263-H420 WeakPolarHBondContact CB-CD2 3.22Å; F263-H420 AromaticContact CG-NE2 3.87Å; T391-H420 PolarHBondContact N-O 3.08Å; T391-H420 PolarHBondContact O-N 2.99Å; T391-H420 WeakPolarHBondContact OG1-CB 3.3Å; T391-H420 PolarHBondContact OG1-O 2.75Å; V418-H420 WeakPolarHBondContact CG1-O 3.38Å
421	Y	88.1	Confident	78.6	Confident	28 Å²	28	53.9 Å²	53.9	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	173.9	-70.3	-69.5	0	0	0	109.9	I352 L372 A374 L378 V382 V388 V390 V418	I352-Y421 VanDerWaalsContact CD1-OH 3.24Å; I352-Y421 WeakPolarHBondContact CD1-OH 3.45Å; L372-Y421 HydrophobicContact CD1-CE1 4.26Å; A374-Y421 HydrophobicContact CB-CE2 4.32Å; L378-Y421 HydrophobicContact CB-CE2 4.25Å; L378-Y421 HydrophobicContact CD2-CD2 4.37Å; V382-Y421 HydrophobicContact CG1-CE1 4.28Å; V382-Y421 HydrophobicContact CG1-CE2 4.35Å; V388-Y421 HydrophobicContact CB-CD1 4.38Å; V388-Y421 HydrophobicContact CG2-CD1 4.39Å; V390-Y421 HydrophobicContact CB-CD1 4.48Å; V390-Y421 HydrophobicContact CB-CE1 4.45Å; V390-Y421 HydrophobicContact CG1-CD1 4.25Å; V390-Y421 HydrophobicContact CG1-CE1 3.92Å; V390-Y421 HydrophobicContact CG2-CD1 3.9Å; V390-Y421 HydrophobicContact CG2-CE1 3.83Å; V418-Y421 HydrophobicContact CB-CE2 4.47Å; V418-Y421 HydrophobicContact CG1-CD1 4.18Å; V418-Y421 HydrophobicContact CG1-CD2 4.18Å; V418-Y421 HydrophobicContact CG1-CE1 3.86Å; V418-Y421 HydrophobicContact CG1-CE2 3.86Å; V418-Y421 HydrophobicContact CG1-CG 4.32Å; V418-Y421 HydrophobicContact CG2-CE1 4.3Å
422	R	84.4	Confident	76.8	Confident	109 Å²	109	52.8 Å²	52.8	41%	0.411	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	164.9	-175.3	176.1	-171.9	171.6	9.5	108.5	E182 V388 N389	E182-R422 IonicContact OE1-NH2 3.71Å; V388-R422 WeakPolarHBondContact CA-O 3.48Å; N389-R422 HydrophobicContact CB-CB 4.4Å; N389-R422 PolarHBondContact N-O 3.17Å; N389-R422 PolarHBondContact O-N 3.17Å
423	K	80.8	Confident	75	Confident	82 Å²	82	52.3 Å²	52.3	36%	0.357	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141	168.8	-58	-158.3	-176.2	-161.3	0	109	D386 V388	D386-K423 WeakPolarHBondContact OD2-CE 3.23Å; D386-K423 IonicContact OD2-NZ 2.66Å; D386-K423 PolarHBondContact OD2-NZ 2.74Å; V388-K423 HydrophobicContact CG1-CG 4.18Å
424	T	68.3	Low	73.2	Confident	59 Å²	59	51.1 Å²	51.1	36%	0.362	27%	0.268	S	S	.	.			trans	-121.9	53.6	-170.9	-47.9	0	0	0	0	110.6	R387 N389	R387-T424 PolarHBondContact O-N 3.05Å; N389-T424 PolarHBondContact ND2-OG1 2.85Å; N389-T424 PolarHBondContact OD1-OG1 2.73Å
425	D	63.1	Low	71.1	Confident	45 Å²	45	54.7 Å²	54.7	24%	0.241	28%	0.28	C	S	.	.			trans	-96.2	7.2	-172	-70.5	-69.5	0	0	0	114.6	K427 R428	D425-K427 PolarHBondContact O-N 3.08Å; D425-R428 WeakPolarHBondContact O-CA 3.5Å; D425-R428 PolarHBondContact O-N 2.73Å
426	A	56.4	Low	68.9	Low	92 Å²	92	57.3 Å²	57.3	76%	0.76	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-19.3	179.2	0	0	0	0	0	115.6	K688	A426-K688 PolarHBondContact O-NZ 3.04Å
427	K	54.3	Low	66.9	Low	129 Å²	129	63 Å²	63	56%	0.561	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.3	171.1	-64.9	-168	-172.3	-177.5	0	113.1	E359 D425 K688	E359-K427 IonicContact OE1-NZ 3.57Å; E359-K427 PolarHBondContact OE1-NZ 3.29Å; E359-K427 IonicContact OE2-NZ 2.74Å; E359-K427 PolarHBondContact OE2-NZ 3.4Å; D425-K427 PolarHBondContact O-N 3.08Å; K427-K688 PolarHBondContact O-NZ 3.07Å
428	R	61.4	Low	64.9	Low	25 Å²	25	64.1 Å²	64.1	9%	0.094	34%	0.336	C	S	.	.	S	Bend	trans	-102.7	178.6	-177.3	-80.6	165.2	160.2	-167	-13.8	112.6	D425 Y524 N525 L526 V527 P528 K688	D425-R428 WeakPolarHBondContact O-CA 3.5Å; D425-R428 PolarHBondContact O-N 2.73Å; R428-Y524 PolarHBondContact NH2-O 2.9Å; R428-N525 WeakPolarHBondContact CG-O 3.44Å; R428-L526 CarbonylContact C-O 3.59Å; R428-L526 VanDerWaalsContact CA-O 3.27Å; R428-L526 WeakPolarHBondContact CA-O 3.43Å; R428-V527 PolarHBondContact NE-O 2.87Å; R428-P528 HydrophobicContact CB-CB 4.44Å; R428-K688 WeakPolarHBondContact O-CD 3.46Å; R428-K688 WeakPolarHBondContact O-CE 3.5Å; R428-K688 PolarHBondContact O-NZ 2.9Å
429	L	59.7	Low	62.8	Low	13 Å²	13	72.3 Å²	72.3	7%	0.068	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-71.1	161.6	164.2	-52.4	149.5	0	0	0	110.2	L484 L526 V527 P528 K688 I691	L429-L484 HydrophobicContact CD1-CD2 4.19Å; L429-L526 HydrophobicContact CD1-CG 4.26Å; L429-L526 HydrophobicContact CD2-CD1 4.4Å; L429-L526 HydrophobicContact CG-CD1 4.24Å; L429-L526 HydrophobicContact CG-CG 4.28Å; L429-L526 PolarHBondContact N-O 2.87Å; L429-V527 HydrophobicContact CD1-CG2 4.32Å; L429-P528 HydrophobicContact CB-CG 4.06Å; L429-P528 WeakPolarHBondContact O-CB 3.46Å; L429-P528 WeakPolarHBondContact O-CG 3.39Å; L429-K688 HydrophobicContact CD2-CB 4.11Å; L429-K688 HydrophobicContact CD2-CG 3.81Å; L429-K688 HydrophobicContact CG-CG 4.5Å; L429-I691 HydrophobicContact CD2-CB 4.06Å; L429-I691 HydrophobicContact CD2-CD1 3.67Å; L429-I691 HydrophobicContact CD2-CG1 4.45Å; L429-I691 HydrophobicContact CD2-CG2 4.13Å
430	H	62.7	Low	61.1	Low	87 Å²	87	77.6 Å²	77.6	40%	0.403	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-61.4	147.8	172.8	-79.2	-71.5	0	0	0	113.4	E434 A692	H430-E434 VanDerWaalsContact CA-OE2 3.27Å; H430-E434 WeakPolarHBondContact CA-OE2 3.46Å; H430-E434 VanDerWaalsContact CB-OE2 3.25Å; H430-E434 WeakPolarHBondContact CB-OE2 3.33Å; H430-E434 IonicContact CE1-OE2 3.68Å; H430-E434 IonicContact CG-OE2 2.78Å; H430-E434 IonicContact ND1-OE1 3.85Å; H430-E434 IonicContact ND1-OE2 3.9Å; H430-E434 PolarHBondContact ND1-OE2 2.88Å; H430-A692 HydrophobicContact CB-CB 4.1Å
431	G	55.4	Low	60	Low	25 Å²	25	78.7 Å²	78.7	26%	0.258	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-86.5	151.7	179.4	0	0	0	0	0	112.6	D433 E434	G431-D433 PolarHBondContact O-N 3.19Å; G431-E434 PolarHBondContact N-OE2 3.38Å; G431-E434 VanDerWaalsContact O-CB 3.3Å; G431-E434 WeakPolarHBondContact O-CB 3.32Å; G431-E434 PolarHBondContact O-N 3.34Å
432	L	54.3	Low	59.1	Low	86 Å²	86	78.4 Å²	78.4	45%	0.45	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-65	-22.8	176.7	-66.2	180	0	0	0	113.3	E434 E435 N568	L432-E434 PolarHBondContact O-N 2.96Å; L432-E435 WeakPolarHBondContact O-CB 3.47Å; L432-E435 PolarHBondContact O-N 3.17Å; L432-N568 HydrophobicContact CD1-CB 3.57Å
433	D	53.2	Low	58.8	Low	114 Å²	114	80.7 Å²	80.7	61%	0.61	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-65.9	-13.7	174	-53.9	-43.8	0	0	0	112	G431 E435	G431-D433 PolarHBondContact O-N 3.19Å; D433-E435 VanDerWaalsContact C-N 3.33Å
434	E	54.2	Low	58.8	Low	61 Å²	61	84.2 Å²	84.2	29%	0.285	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-88.6	10.2	176.7	-55.9	176.5	128.4	0	0	112.6	H430 G431 L432 A436 E437 Q438	H430-E434 VanDerWaalsContact CA-OE2 3.27Å; H430-E434 WeakPolarHBondContact CA-OE2 3.46Å; H430-E434 VanDerWaalsContact CB-OE2 3.25Å; H430-E434 WeakPolarHBondContact CB-OE2 3.33Å; H430-E434 IonicContact CE1-OE2 3.68Å; H430-E434 IonicContact CG-OE2 2.78Å; H430-E434 IonicContact ND1-OE1 3.85Å; H430-E434 IonicContact ND1-OE2 3.9Å; H430-E434 PolarHBondContact ND1-OE2 2.88Å; G431-E434 PolarHBondContact N-OE2 3.38Å; G431-E434 VanDerWaalsContact O-CB 3.3Å; G431-E434 WeakPolarHBondContact O-CB 3.32Å; G431-E434 PolarHBondContact O-N 3.34Å; L432-E434 PolarHBondContact O-N 2.96Å; E434-A436 PolarHBondContact O-N 2.87Å; E434-A436 VanDerWaalsContact O-N 3.07Å; E434-E437 HydrophobicContact CB-CB 4.22Å; E434-E437 CarbonylContact O-C 3.48Å; E434-E437 PolarHBondContact O-N 3.39Å; E434-Q438 WeakPolarHBondContact O-CB 3.22Å; E434-Q438 PolarHBondContact O-N 3.49Å
435	E	46.1	Very low	59.3	Low	131 Å²	131	83.9 Å²	83.9	61%	0.612	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.5	175.4	-170.7	177.8	176.4	0	0	113.3	L432 D433	L432-E435 WeakPolarHBondContact O-CB 3.47Å; L432-E435 PolarHBondContact O-N 3.17Å; D433-E435 VanDerWaalsContact C-N 3.33Å
436	A	48.5	Very low	60.3	Low	71 Å²	71	82.7 Å²	82.7	59%	0.587	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-49.3	169.1	0	0	0	0	0	112.6	E434 Q438	E434-A436 PolarHBondContact O-N 2.87Å; E434-A436 VanDerWaalsContact O-N 3.07Å; A436-Q438 VanDerWaalsContact C-N 3.32Å; A436-Q438 PolarHBondContact O-N 3.14Å
437	E	50	Low	61.7	Low	124 Å²	124	84.2 Å²	84.2	58%	0.579	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64.1	-32.5	178.3	-67.9	-73.8	151.6	0	0	112.3	E434 K439 L440	E434-E437 HydrophobicContact CB-CB 4.22Å; E434-E437 CarbonylContact O-C 3.48Å; E434-E437 PolarHBondContact O-N 3.39Å; E437-K439 PolarHBondContact O-N 2.94Å; E437-L440 VanDerWaalsContact O-CB 3.22Å; E437-L440 WeakPolarHBondContact O-CB 3.44Å; E437-L440 WeakPolarHBondContact O-CG 3.37Å; E437-L440 PolarHBondContact O-N 2.87Å
438	Q	49.3	Very low	63.2	Low	34 Å²	34	83 Å²	83	16%	0.159	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-64.1	-11.5	-175.4	-164.9	-91.5	-36.5	0	0	113.6	E434 A436 L440 F441 S696	E434-Q438 WeakPolarHBondContact O-CB 3.22Å; E434-Q438 PolarHBondContact O-N 3.49Å; A436-Q438 VanDerWaalsContact C-N 3.32Å; A436-Q438 PolarHBondContact O-N 3.14Å; Q438-L440 PolarHBondContact O-N 2.74Å; Q438-F441 HydrophobicContact CG-CD2 4.03Å; Q438-F441 HydrophobicContact CG-CE2 3.78Å; Q438-F441 HydrophobicContact CG-CZ 4.29Å; Q438-S696 VanDerWaalsContact CD-OG 3.24Å; Q438-S696 PolarHBondContact OE1-OG 3.34Å
439	K	49.3	Very low	64.4	Low	174 Å²	174	82 Å²	82	76%	0.757	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-72.9	-10.2	168.3	-63.7	174.2	-173.3	167.3	0	113.8	E437	E437-K439 PolarHBondContact O-N 2.94Å
440	L	54.7	Low	65.7	Low	120 Å²	120	85.7 Å²	85.7	63%	0.628	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-93.6	3.2	177.3	-58.7	170.3	0	0	0	113.2	E437 Q438 S442	E437-L440 VanDerWaalsContact O-CB 3.22Å; E437-L440 WeakPolarHBondContact O-CB 3.44Å; E437-L440 WeakPolarHBondContact O-CG 3.37Å; E437-L440 PolarHBondContact O-N 2.87Å; Q438-L440 PolarHBondContact O-N 2.74Å; L440-S442 PolarHBondContact O-N 3.47Å
441	F	65.1	Low	66.9	Low	43 Å²	43	86 Å²	86	19%	0.189	43%	0.427	C	S	.	.	S	Bend	trans	-57.9	124.3	169.8	-83.5	-20	0	0	0	110.4	Q438 E443 V446 D689 A692 Y693	Q438-F441 HydrophobicContact CG-CD2 4.03Å; Q438-F441 HydrophobicContact CG-CE2 3.78Å; Q438-F441 HydrophobicContact CG-CZ 4.29Å; F441-E443 PolarHBondContact O-N 3.45Å; F441-V446 HydrophobicContact CB-CG2 4.03Å; F441-D689 HydrophobicContact CZ-CB 4.1Å; F441-A692 HydrophobicContact CE2-CB 4.38Å; F441-A692 HydrophobicContact CZ-CB 4.2Å; F441-Y693 HydrophobicContact CD2-CD2 4.33Å
442	S	70.3	Confident	68.4	Low	23 Å²	23	86.3 Å²	86.3	16%	0.161	42%	0.423	C	S	.	.			trans	-49.8	134.8	175.8	-171.6	0	0	0	0	111.5	L440 K444 R445 V446	L440-S442 PolarHBondContact O-N 3.47Å; S442-K444 PolarHBondContact O-N 2.82Å; S442-K444 VanDerWaalsContact O-N 3.16Å; S442-K444 PolarHBondContact OG-N 3.44Å; S442-R445 WeakPolarHBondContact O-CA 3.5Å; S442-R445 WeakPolarHBondContact O-CB 3.3Å; S442-R445 PolarHBondContact O-N 2.87Å; S442-V446 PolarHBondContact O-N 2.83Å
443	E	77.3	Confident	69.9	Low	156 Å²	156	83.4 Å²	83.4	73%	0.729	41%	0.41	S	S	*	.	H	α-helix	trans	-56.5	-33	173.5	-167.1	153	-142.6	0	0	110.9	F441 V446 E447	F441-E443 PolarHBondContact O-N 3.45Å; E443-V446 CarbonylContact O-C 3.53Å; E443-V446 PolarHBondContact O-N 2.98Å; E443-E447 WeakPolarHBondContact O-CG 3.48Å; E443-E447 PolarHBondContact O-N 2.79Å
444	K	80.3	Confident	71.5	Confident	156 Å²	156	87.8 Å²	87.8	68%	0.678	42%	0.418	S	S	*	.	H	α-helix	trans	-61	-42.6	170.3	-58.5	179.9	-178.4	177	0	113.3	S442 E447 L448	S442-K444 PolarHBondContact O-N 2.82Å; S442-K444 VanDerWaalsContact O-N 3.16Å; S442-K444 PolarHBondContact OG-N 3.44Å; K444-E447 PolarHBondContact O-N 3.1Å; K444-L448 WeakPolarHBondContact O-CG 3.4Å; K444-L448 PolarHBondContact O-N 2.97Å
445	R	80.2	Confident	73	Confident	52 Å²	52	89.1 Å²	89.1	20%	0.196	42%	0.423	C	S	.	.	H	α-helix	trans	-66.8	-43.9	174.6	-93.3	-166.1	140.5	110.6	19.9	110.3	E181 S442 E447 L448 L449 D689	E181-R445 IonicContact OE1-CZ 2.58Å; E181-R445 IonicContact OE1-NH1 3.95Å; E181-R445 PolarHBondContact OE1-NH1 2.97Å; E181-R445 IonicContact OE1-NH2 3.65Å; E181-R445 PolarHBondContact OE1-NH2 3.31Å; E181-R445 IonicContact OE2-CZ 3.28Å; E181-R445 IonicContact OE2-NH1 2.79Å; E181-R445 PolarHBondContact OE2-NH1 3.05Å; E181-R445 IonicContact OE2-NH2 3.27Å; E181-R445 PolarHBondContact OE2-NH2 3.38Å; S442-R445 WeakPolarHBondContact O-CA 3.5Å; S442-R445 WeakPolarHBondContact O-CB 3.3Å; S442-R445 PolarHBondContact O-N 2.87Å; R445-E447 VanDerWaalsContact C-N 3.27Å; R445-E447 PolarHBondContact O-N 3.22Å; R445-L448 PolarHBondContact O-N 2.93Å; R445-L448 VanDerWaalsContact O-N 3.13Å; R445-L449 VanDerWaalsContact O-CG 3.29Å; R445-L449 WeakPolarHBondContact O-CG 3.34Å; R445-L449 PolarHBondContact O-N 3.15Å; R445-D689 WeakPolarHBondContact CD-OD2 3.46Å; R445-D689 IonicContact CZ-OD2 2.65Å; R445-D689 IonicContact NE-OD2 3Å; R445-D689 PolarHBondContact NE-OD2 3.4Å; R445-D689 IonicContact NH2-OD2 3.16Å
446	V	83.9	Confident	74.7	Confident	20 Å²	20	88.3 Å²	88.3	12%	0.121	43%	0.429	C	S	.	.	H	α-helix	trans	-61.3	-35.2	176.5	174.8	0	0	0	0	111.7	F441 S442 E443 K450 Y693	F441-V446 HydrophobicContact CB-CG2 4.03Å; S442-V446 PolarHBondContact O-N 2.83Å; E443-V446 CarbonylContact O-C 3.53Å; E443-V446 PolarHBondContact O-N 2.98Å; V446-K450 HydrophobicContact CG1-CD 3.97Å; V446-K450 WeakPolarHBondContact O-CB 3.15Å; V446-K450 WeakPolarHBondContact O-CD 3.49Å; V446-K450 WeakPolarHBondContact O-CG 3.36Å; V446-K450 PolarHBondContact O-N 2.82Å; V446-Y693 HydrophobicContact CB-CE2 4.48Å; V446-Y693 HydrophobicContact CG1-CE2 3.8Å; V446-Y693 HydrophobicContact CG2-CD2 4.29Å; V446-Y693 HydrophobicContact CG2-CE2 3.97Å
447	E	86.1	Confident	76.5	Confident	124 Å²	124	90.1 Å²	90.1	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-63.9	-47.5	170.4	-76.3	-179.6	148.6	0	0	112.4	E443 K444 R445 L449 K450 E451	E443-E447 WeakPolarHBondContact O-CG 3.48Å; E443-E447 PolarHBondContact O-N 2.79Å; K444-E447 PolarHBondContact O-N 3.1Å; R445-E447 VanDerWaalsContact C-N 3.27Å; R445-E447 PolarHBondContact O-N 3.22Å; E447-L449 PolarHBondContact O-N 3.45Å; E447-K450 CarbonylContact O-C 3.56Å; E447-K450 PolarHBondContact O-N 3.46Å; E447-E451 PolarHBondContact O-N 3.19Å
448	L	85.8	Confident	78.3	Confident	104 Å²	104	84.8 Å²	84.8	55%	0.545	40%	0.404	S	S	.	.	H	α-helix	trans	-59.6	-44.6	176.1	-70.2	169.7	0	0	0	112.2	K444 R445 K450 E451 L452	K444-L448 WeakPolarHBondContact O-CG 3.4Å; K444-L448 PolarHBondContact O-N 2.97Å; R445-L448 PolarHBondContact O-N 2.93Å; R445-L448 VanDerWaalsContact O-N 3.13Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.22Å; L448-E451 PolarHBondContact O-N 2.81Å; L448-E451 VanDerWaalsContact O-N 3.14Å; L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 3.18Å
449	L	86.3	Confident	80.2	Confident	4 Å²	4	84.1 Å²	84.1	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-61.2	-41	175.7	-62.7	174.8	0	0	0	111.5	R445 E447 E451 L452 S453 V686 D689 Y690 Y693	R445-L449 VanDerWaalsContact O-CG 3.29Å; R445-L449 WeakPolarHBondContact O-CG 3.34Å; R445-L449 PolarHBondContact O-N 3.15Å; E447-L449 PolarHBondContact O-N 3.45Å; L449-E451 VanDerWaalsContact C-N 3.34Å; L449-L452 PolarHBondContact O-N 3.14Å; L449-S453 PolarHBondContact O-N 2.92Å; L449-V686 HydrophobicContact CD2-CG1 4.17Å; L449-D689 HydrophobicContact CD1-CB 4.2Å; L449-D689 HydrophobicContact CD2-CB 4.15Å; L449-Y690 HydrophobicContact CB-CD2 4.31Å; L449-Y690 HydrophobicContact CD2-CD2 3.75Å; L449-Y690 HydrophobicContact CD2-CG 4.24Å; L449-Y693 HydrophobicContact CD1-CD2 4.41Å; L449-Y693 HydrophobicContact CD1-CG 4.11Å
450	K	87.1	Confident	82	Confident	90 Å²	90	80.1 Å²	80.1	39%	0.391	38%	0.384	S	S	.	.	H	α-helix	trans	-71.7	-21.9	174.7	-72.3	166.9	-176.7	167.5	0	113.7	V446 E447 L448 S453 R454 Y693	V446-K450 HydrophobicContact CG1-CD 3.97Å; V446-K450 WeakPolarHBondContact O-CB 3.15Å; V446-K450 WeakPolarHBondContact O-CD 3.49Å; V446-K450 WeakPolarHBondContact O-CG 3.36Å; V446-K450 PolarHBondContact O-N 2.82Å; E447-K450 CarbonylContact O-C 3.56Å; E447-K450 PolarHBondContact O-N 3.46Å; L448-K450 VanDerWaalsContact C-N 3.33Å; L448-K450 PolarHBondContact O-N 3.22Å; K450-S453 PolarHBondContact O-OG 3.07Å; K450-R454 WeakPolarHBondContact O-CD 3.27Å; K450-R454 VanDerWaalsContact O-CG 3.3Å; K450-R454 WeakPolarHBondContact O-CG 3.37Å; K450-Y693 VanDerWaalsContact CE-OH 3.31Å; K450-Y693 WeakPolarHBondContact CE-OH 3.33Å
451	E	88.6	Confident	83.5	Confident	94 Å²	94	81.1 Å²	81.1	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-78.6	-41.1	171.7	-160.7	-150.7	109.2	0	0	110.9	E447 L448 L449 R454 K455	E447-E451 PolarHBondContact O-N 3.19Å; L448-E451 PolarHBondContact O-N 2.81Å; L448-E451 VanDerWaalsContact O-N 3.14Å; L449-E451 VanDerWaalsContact C-N 3.34Å; E451-R454 PolarHBondContact O-N 3.36Å; E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 3.69Å; E451-K455 PolarHBondContact OE1-NZ 3.27Å
452	L	85.4	Confident	84.5	Confident	31 Å²	31	79.7 Å²	79.7	16%	0.162	37%	0.374	C	S	.	.	H	α-helix	trans	-61	-44	174.1	-70.7	166.9	0	0	0	111.4	L448 L449 R454 K455 I458 V686 Y690	L448-L452 WeakPolarHBondContact O-CG 3.46Å; L448-L452 PolarHBondContact O-N 3.18Å; L449-L452 PolarHBondContact O-N 3.14Å; L452-R454 PolarHBondContact O-N 3.45Å; L452-R454 VanDerWaalsContact O-N 3.13Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 3.35Å; L452-K455 VanDerWaalsContact O-N 3.1Å; L452-I458 HydrophobicContact CB-CD1 4.13Å; L452-V686 HydrophobicContact CD1-CG1 3.5Å; L452-V686 VanDerWaalsContact CD1-CG1 3.5Å; L452-Y690 HydrophobicContact CB-CE2 4.29Å
453	S	85.9	Confident	85.3	Confident	26 Å²	26	78.6 Å²	78.6	18%	0.182	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11	179.3	83.3	0	0	0	0	114.8	L449 K450 Y690	L449-S453 PolarHBondContact O-N 2.92Å; K450-S453 PolarHBondContact O-OG 3.07Å; S453-Y690 WeakPolarHBondContact CB-OH 3.33Å
454	R	86.8	Confident	85.6	Confident	205 Å²	205	73.9 Å²	73.9	77%	0.774	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.4	174.3	-72.6	168.3	-176.1	176.2	2.5	113.2	K450 E451 L452	K450-R454 WeakPolarHBondContact O-CD 3.27Å; K450-R454 VanDerWaalsContact O-CG 3.3Å; K450-R454 WeakPolarHBondContact O-CG 3.37Å; E451-R454 PolarHBondContact O-N 3.36Å; L452-R454 PolarHBondContact O-N 3.45Å; L452-R454 VanDerWaalsContact O-N 3.13Å
455	K	87.2	Confident	85.6	Confident	89 Å²	89	67.8 Å²	67.8	39%	0.387	33%	0.33	S	S	.	.	S	Bend	trans	-82.3	124.7	-177.3	-65.1	167.4	-170.9	170.9	0	108	E451 L452 D457 I458	E451-K455 WeakPolarHBondContact OE1-CE 3.42Å; E451-K455 IonicContact OE1-NZ 3.69Å; E451-K455 PolarHBondContact OE1-NZ 3.27Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 3.35Å; L452-K455 VanDerWaalsContact O-N 3.1Å; K455-D457 PolarHBondContact O-N 2.86Å; K455-I458 VanDerWaalsContact O-CB 3.27Å; K455-I458 WeakPolarHBondContact O-CB 3.49Å; K455-I458 VanDerWaalsContact O-CG2 3.22Å; K455-I458 WeakPolarHBondContact O-CG2 3.31Å; K455-I458 PolarHBondContact O-N 3.03Å; K455-I458 VanDerWaalsContact O-N 3.17Å
456	P	81.4	Confident	85.6	Confident	115 Å²	115	65.5 Å²	65.5	75%	0.747	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-34	-174	23.8	-32.7	0	0	0	112	I458	P456-I458 PolarHBondContact O-N 3.23Å; P456-I458 VanDerWaalsContact O-N 3.15Å
457	D	85.9	Confident	85.3	Confident	109 Å²	109	64.6 Å²	64.6	58%	0.583	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	4.3	-176.5	-34.3	-45.8	0	0	0	113.2	K455 Y459 E460 R461	K455-D457 PolarHBondContact O-N 2.86Å; D457-Y459 VanDerWaalsContact C-N 3.29Å; D457-Y459 PolarHBondContact O-N 3.05Å; D457-E460 PolarHBondContact O-N 3.46Å; D457-E460 VanDerWaalsContact O-N 3.08Å; D457-R461 PolarHBondContact O-N 3.17Å
458	I	87.9	Confident	84.9	Confident	12 Å²	12	60.7 Å²	60.7	6%	0.062	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-39.7	-175	-171.9	60.6	0	0	0	112.7	L452 K455 P456 E460 R461 L462	L452-I458 HydrophobicContact CB-CD1 4.13Å; K455-I458 VanDerWaalsContact O-CB 3.27Å; K455-I458 WeakPolarHBondContact O-CB 3.49Å; K455-I458 VanDerWaalsContact O-CG2 3.22Å; K455-I458 WeakPolarHBondContact O-CG2 3.31Å; K455-I458 PolarHBondContact O-N 3.03Å; K455-I458 VanDerWaalsContact O-N 3.17Å; P456-I458 PolarHBondContact O-N 3.23Å; P456-I458 VanDerWaalsContact O-N 3.15Å; I458-E460 VanDerWaalsContact C-N 3.34Å; I458-E460 PolarHBondContact O-N 3.28Å; I458-R461 PolarHBondContact O-N 2.86Å; I458-L462 HydrophobicContact CD1-CD1 3.9Å; I458-L462 HydrophobicContact CD1-CD2 4.15Å; I458-L462 HydrophobicContact CD1-CG 3.8Å; I458-L462 HydrophobicContact CG1-CD1 3.77Å; I458-L462 HydrophobicContact CG1-CG 4.11Å; I458-L462 WeakPolarHBondContact O-CB 3.44Å; I458-L462 WeakPolarHBondContact O-CG 3.44Å; I458-L462 PolarHBondContact O-N 2.94Å
459	Y	88.3	Confident	84.6	Confident	19 Å²	19	58.2 Å²	58.2	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-38	178.6	174	-120.4	0	0	0	112.3	D457 A463 K478 L481 L482 H744 V747 E760	D457-Y459 VanDerWaalsContact C-N 3.29Å; D457-Y459 PolarHBondContact O-N 3.05Å; Y459-A463 VanDerWaalsContact O-CB 3.23Å; Y459-A463 WeakPolarHBondContact O-CB 3.48Å; Y459-A463 PolarHBondContact O-N 2.76Å; Y459-A463 VanDerWaalsContact O-N 3.14Å; Y459-K478 HydrophobicContact CE1-CB 4.45Å; Y459-K478 HydrophobicContact CE1-CD 4.05Å; Y459-K478 HydrophobicContact CE1-CG 4.05Å; Y459-K478 HydrophobicContact CE2-CB 4.25Å; Y459-K478 HydrophobicContact CE2-CG 4.33Å; Y459-L481 HydrophobicContact CD2-CD2 4.13Å; Y459-L482 HydrophobicContact CE2-CD2 4.31Å; Y459-L482 HydrophobicContact CE2-CG 4.38Å; Y459-H744 AromaticContact CE2-CD2 3.85Å; Y459-H744 AromaticContact CZ-CD2 3.98Å; Y459-V747 HydrophobicContact CD2-CG1 4.3Å; Y459-V747 HydrophobicContact CD2-CG2 4.46Å; Y459-E760 HydrophobicContact CE1-CG 4.03Å; Y459-E760 WeakPolarHBondContact CE1-OE1 3.29Å; Y459-E760 PolarHBondContact OH-OE1 3.35Å
460	E	87.1	Confident	84.4	Confident	90 Å²	90	58.7 Å²	58.7	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-79.9	-35.4	-180	-49.4	-148.2	115.7	0	0	111.7	D457 I458 A463 S464 K478	D457-E460 PolarHBondContact O-N 3.46Å; D457-E460 VanDerWaalsContact O-N 3.08Å; I458-E460 VanDerWaalsContact C-N 3.34Å; I458-E460 PolarHBondContact O-N 3.28Å; E460-A463 PolarHBondContact O-N 3.26Å; E460-S464 WeakPolarHBondContact O-CB 3.48Å; E460-S464 PolarHBondContact O-N 3.44Å; E460-S464 PolarHBondContact O-OG 2.9Å; E460-K478 WeakPolarHBondContact OE1-CE 3.47Å; E460-K478 IonicContact OE1-NZ 3.9Å; E460-K478 PolarHBondContact OE1-NZ 2.81Å
461	R	86	Confident	84.1	Confident	141 Å²	141	57.6 Å²	57.6	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-64.1	-52.2	173.6	-176.3	178.1	172.6	124.6	0.9	111.8	D457 I458 A463 S464 A465 D683	D457-R461 PolarHBondContact O-N 3.17Å; I458-R461 PolarHBondContact O-N 2.86Å; R461-A463 VanDerWaalsContact C-N 3.27Å; R461-A463 PolarHBondContact O-N 2.8Å; R461-S464 PolarHBondContact O-N 3.04Å; R461-A465 WeakPolarHBondContact O-CB 3.37Å; R461-A465 PolarHBondContact O-N 3.14Å; R461-D683 IonicContact CZ-OD1 3.94Å; R461-D683 IonicContact NE-OD1 3.51Å; R461-D683 IonicContact NH2-OD1 3.03Å; R461-D683 PolarHBondContact NH2-OD1 3.26Å; R461-D683 IonicContact NH2-OD2 3.24Å
462	L	86.3	Confident	83.4	Confident	13 Å²	13	57 Å²	57	7%	0.068	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-33.1	178.4	-64.4	175.3	0	0	0	111.8	I458 L466 L481 L687 Y690 V747	I458-L462 HydrophobicContact CD1-CD1 3.9Å; I458-L462 HydrophobicContact CD1-CD2 4.15Å; I458-L462 HydrophobicContact CD1-CG 3.8Å; I458-L462 HydrophobicContact CG1-CD1 3.77Å; I458-L462 HydrophobicContact CG1-CG 4.11Å; I458-L462 WeakPolarHBondContact O-CB 3.44Å; I458-L462 WeakPolarHBondContact O-CG 3.44Å; I458-L462 PolarHBondContact O-N 2.94Å; L462-L466 PolarHBondContact O-N 2.84Å; L462-L481 HydrophobicContact CB-CD1 4.12Å; L462-L481 HydrophobicContact CB-CD2 3.76Å; L462-L687 HydrophobicContact CB-CD1 4.48Å; L462-L687 HydrophobicContact CD2-CD1 3.75Å; L462-Y690 HydrophobicContact CD1-CD1 4.21Å; L462-Y690 HydrophobicContact CD1-CE1 4.01Å; L462-V747 HydrophobicContact CD1-CG1 4.1Å
463	A	87.9	Confident	83.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-43	172.4	0	0	0	0	0	112	Y459 E460 R461 L466 K477 K478 L481	Y459-A463 VanDerWaalsContact O-CB 3.23Å; Y459-A463 WeakPolarHBondContact O-CB 3.48Å; Y459-A463 PolarHBondContact O-N 2.76Å; Y459-A463 VanDerWaalsContact O-N 3.14Å; E460-A463 PolarHBondContact O-N 3.26Å; R461-A463 VanDerWaalsContact C-N 3.27Å; R461-A463 PolarHBondContact O-N 2.8Å; A463-L466 VanDerWaalsContact O-CB 3.3Å; A463-L466 WeakPolarHBondContact O-CB 3.41Å; A463-L466 PolarHBondContact O-N 2.86Å; A463-K477 HydrophobicContact CB-CB 4.33Å; A463-K477 WeakPolarHBondContact O-CB 3.44Å; A463-K477 WeakPolarHBondContact O-CD 3.24Å; A463-K478 HydrophobicContact CB-CB 4.42Å; A463-K478 HydrophobicContact CB-CG 3.52Å; A463-L481 HydrophobicContact CB-CD2 4.38Å
464	S	82.6	Confident	83.2	Confident	57 Å²	57	60.7 Å²	60.7	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-66.7	-39.3	179.9	-64.4	0	0	0	0	112.9	E460 R461 L466	E460-S464 WeakPolarHBondContact O-CB 3.48Å; E460-S464 PolarHBondContact O-N 3.44Å; E460-S464 PolarHBondContact O-OG 2.9Å; R461-S464 PolarHBondContact O-N 3.04Å; S464-L466 PolarHBondContact O-N 3.16Å
465	A	82	Confident	83.4	Confident	28 Å²	28	53.3 Å²	53.3	23%	0.231	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-21.5	173.3	0	0	0	0	0	113.3	R461 A467	R461-A465 WeakPolarHBondContact O-CB 3.37Å; R461-A465 PolarHBondContact O-N 3.14Å; A465-A467 PolarHBondContact O-N 2.7Å
466	L	80.3	Confident	83.5	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.26	C	S	.	.	S	Bend	trans	-74.5	113.3	174.6	-157.3	165	0	0	0	109.5	L462 A463 S464 K477 I480 L481 L484 Y522	L462-L466 PolarHBondContact O-N 2.84Å; A463-L466 VanDerWaalsContact O-CB 3.3Å; A463-L466 WeakPolarHBondContact O-CB 3.41Å; A463-L466 PolarHBondContact O-N 2.86Å; S464-L466 PolarHBondContact O-N 3.16Å; L466-K477 VanDerWaalsContact O-CD 3.26Å; L466-K477 WeakPolarHBondContact O-CD 3.4Å; L466-K477 WeakPolarHBondContact O-CE 3.4Å; L466-K477 PolarHBondContact O-NZ 3.28Å; L466-I480 HydrophobicContact CD1-CB 4.3Å; L466-I480 HydrophobicContact CD1-CG2 3.95Å; L466-I480 HydrophobicContact CD2-CG2 4.4Å; L466-L481 HydrophobicContact CD1-CB 4.33Å; L466-L484 HydrophobicContact CD1-CD1 3.93Å; L466-Y522 HydrophobicContact CD2-CD1 4.21Å; L466-Y522 HydrophobicContact CD2-CE1 3.91Å; L466-Y522 HydrophobicContact CG-CE1 4.38Å
467	A	77.3	Confident	84	Confident	2 Å²	2	45.1 Å²	45.1	2%	0.017	23%	0.229	C	C	.	.			trans	54.7	71.3	-178.6	0	0	0	0	0	114	A465 S469 I470 K477 Y522	A465-A467 PolarHBondContact O-N 2.7Å; A467-S469 PolarHBondContact O-N 3.47Å; A467-S469 VanDerWaalsContact O-N 3.14Å; A467-I470 HydrophobicContact CB-CB 4.39Å; A467-I470 HydrophobicContact CB-CD1 4.09Å; A467-I470 HydrophobicContact CB-CG1 4.22Å; A467-I470 PolarHBondContact O-N 3.35Å; A467-K477 PolarHBondContact O-NZ 3.19Å; A467-Y522 HydrophobicContact CB-CD1 3.76Å; A467-Y522 HydrophobicContact CB-CD2 4.26Å; A467-Y522 HydrophobicContact CB-CE1 3.78Å; A467-Y522 HydrophobicContact CB-CE2 4.29Å; A467-Y522 HydrophobicContact CB-CG 4Å; A467-Y522 VanDerWaalsContact N-CZ 3.32Å; A467-Y522 PolarHBondContact N-OH 2.98Å
468	P	76.6	Confident	84.3	Confident	41 Å²	41	40.2 Å²	40.2	27%	0.266	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	179.9	23.4	-33	0	0	0	113.4	I470 H665 E680	P468-I470 PolarHBondContact O-N 3.08Å; P468-H665 PolarHBondContact O-NE2 2.96Å; P468-E680 WeakPolarHBondContact CG-OE2 3.45Å
469	S	79.3	Confident	84.5	Confident	52 Å²	52	39.6 Å²	39.6	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-11.1	173.9	54.3	0	0	0	0	115.2	A467	A467-S469 PolarHBondContact O-N 3.47Å; A467-S469 VanDerWaalsContact O-N 3.14Å
470	I	82.9	Confident	84.7	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.077	20%	0.196	C	C	.	.	S	Bend	trans	-108.3	122.4	179.2	-58.6	-179.2	0	0	0	109.9	A467 P468 K477 L519	A467-I470 HydrophobicContact CB-CB 4.39Å; A467-I470 HydrophobicContact CB-CD1 4.09Å; A467-I470 HydrophobicContact CB-CG1 4.22Å; A467-I470 PolarHBondContact O-N 3.35Å; P468-I470 PolarHBondContact O-N 3.08Å; I470-K477 WeakPolarHBondContact O-CE 3.26Å; I470-K477 PolarHBondContact O-NZ 3.42Å; I470-L519 HydrophobicContact CD1-CB 3.78Å; I470-L519 HydrophobicContact CD1-CG 4.44Å
471	Y	79.6	Confident	85	Confident	67 Å²	67	34.5 Å²	34.5	26%	0.263	18%	0.176	S	C	.	.			trans	-91.9	155.4	-173.7	-168.3	-116.2	0	0	0	113.5	H473 R661 H665	Y471-H473 PolarHBondContact O-N 3.12Å; Y471-R661 HydrophobicContact CE1-CB 3.62Å; Y471-H665 HydrophobicContact CD2-CB 4.08Å; Y471-H665 AromaticContact CD2-CG 3.78Å; Y471-H665 AromaticContact CD2-ND1 3.97Å; Y471-H665 HydrophobicContact CG-CB 4.28Å
472	E	75.1	Confident	85.3	Confident	82 Å²	82	27.9 Å²	27.9	38%	0.383	15%	0.151	S	C	.	.	S	Bend	trans	48.4	-13.6	173.8	-88	-178.3	-153.8	0	0	120	E474 Y658 R661	E472-E474 PolarHBondContact O-N 3.14Å; E472-Y658 HydrophobicContact CB-CE2 4.21Å; E472-Y658 VanDerWaalsContact OE2-CD2 3.29Å; E472-Y658 WeakPolarHBondContact OE2-CD2 3.29Å; E472-Y658 WeakPolarHBondContact OE2-CE2 3.26Å; E472-R661 WeakPolarHBondContact OE1-CD 3.34Å; E472-R661 IonicContact OE1-CZ 3.91Å; E472-R661 IonicContact OE1-NH1 2.73Å; E472-R661 PolarHBondContact OE1-NH1 3.45Å
473	H	81.3	Confident	85.6	Confident	43 Å²	43	27.7 Å²	27.7	20%	0.199	15%	0.15	C	C	.	.			trans	-81.9	49.6	-175.9	-66.7	-5	0	0	0	114.4	Y471 D475 I476 K477	Y471-H473 PolarHBondContact O-N 3.12Å; H473-D475 PolarHBondContact O-N 2.94Å; H473-I476 HydrophobicContact CB-CB 4.4Å; H473-I476 HydrophobicContact CB-CD1 4.2Å; H473-I476 HydrophobicContact CB-CG1 4.39Å; H473-I476 PolarHBondContact O-N 3.14Å; H473-K477 PolarHBondContact O-N 2.63Å; H473-K477 VanDerWaalsContact O-N 3.15Å
474	E	86.1	Confident	85.7	Confident	90 Å²	90	28.3 Å²	28.3	42%	0.421	15%	0.153	S	C	.	.	H	α-helix	trans	-58.5	-47.2	-174.4	-74.7	-170.5	-149.5	0	0	114.7	E472 I476 K477 K478	E472-E474 PolarHBondContact O-N 3.14Å; E474-I476 PolarHBondContact O-N 2.95Å; E474-K477 CarbonylContact O-C 3.52Å; E474-K477 WeakPolarHBondContact O-CB 3.43Å; E474-K477 PolarHBondContact O-N 3.15Å; E474-K477 VanDerWaalsContact O-N 3.1Å; E474-K478 HydrophobicContact CB-CD 4.48Å; E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 WeakPolarHBondContact O-CG 3.45Å; E474-K478 PolarHBondContact O-N 2.93Å; E474-K478 IonicContact OE2-NZ 3.81Å; E474-K478 PolarHBondContact OE2-NZ 2.88Å
475	D	90	Very high	86	Confident	50 Å²	50	25.6 Å²	25.6	27%	0.267	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-31.5	-179.9	-77.2	-64.4	0	0	0	112.4	H473 G479 F648 R763 L764	H473-D475 PolarHBondContact O-N 2.94Å; D475-G479 PolarHBondContact O-N 3.1Å; D475-F648 HydrophobicContact CB-CE1 4.31Å; D475-F648 WeakPolarHBondContact O-CE1 3.4Å; D475-F648 WeakPolarHBondContact O-CZ 3.23Å; D475-R763 IonicContact OD1-CZ 3.96Å; D475-R763 IonicContact OD1-NE 3.13Å; D475-R763 IonicContact OD1-NH2 2.61Å; D475-R763 PolarHBondContact OD1-NH2 3.2Å; D475-L764 HydrophobicContact CB-CD1 4.09Å; D475-L764 WeakPolarHBondContact O-CD1 3.21Å
476	I	90.7	Very high	86.1	Confident	13 Å²	13	24.7 Å²	24.7	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-72.3	-43.4	177	-51	-174.4	0	0	0	109.7	H473 E474 G479 I480 L508 L519 F648 M650	H473-I476 HydrophobicContact CB-CB 4.4Å; H473-I476 HydrophobicContact CB-CD1 4.2Å; H473-I476 HydrophobicContact CB-CG1 4.39Å; H473-I476 PolarHBondContact O-N 3.14Å; E474-I476 PolarHBondContact O-N 2.95Å; I476-G479 PolarHBondContact O-N 2.98Å; I476-I480 HydrophobicContact CG2-CD1 3.97Å; I476-I480 WeakPolarHBondContact O-CD1 3.21Å; I476-I480 VanDerWaalsContact O-CG1 3.27Å; I476-I480 WeakPolarHBondContact O-CG1 3.28Å; I476-I480 PolarHBondContact O-N 2.95Å; I476-L508 HydrophobicContact CG2-CD2 3.73Å; I476-L519 HydrophobicContact CG2-CD1 3.97Å; I476-F648 HydrophobicContact CD1-CB 4.35Å; I476-F648 HydrophobicContact CG1-CB 4.31Å; I476-F648 HydrophobicContact CG1-CD1 3.89Å; I476-F648 HydrophobicContact CG1-CE1 4.36Å; I476-F648 HydrophobicContact CG1-CG 4.06Å; I476-F648 HydrophobicContact CG2-CD2 4.41Å; I476-M650 HydrophobicContact CD1-CE 4.27Å; I476-M650 HydrophobicContact CD1-CG 3.36Å; I476-M650 HydrophobicContact CD1-SD 3.58Å; I476-M650 VanDerWaalsContact CD1-SD 3.58Å
477	K	91.5	Very high	86.3	Confident	19 Å²	19	24.9 Å²	24.9	8%	0.083	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.3	-64.9	178.5	173.7	-153.2	0	111.7	A463 L466 A467 I470 H473 E474 G479 I480 L481	A463-K477 HydrophobicContact CB-CB 4.33Å; A463-K477 WeakPolarHBondContact O-CB 3.44Å; A463-K477 WeakPolarHBondContact O-CD 3.24Å; L466-K477 VanDerWaalsContact O-CD 3.26Å; L466-K477 WeakPolarHBondContact O-CD 3.4Å; L466-K477 WeakPolarHBondContact O-CE 3.4Å; L466-K477 PolarHBondContact O-NZ 3.28Å; A467-K477 PolarHBondContact O-NZ 3.19Å; I470-K477 WeakPolarHBondContact O-CE 3.26Å; I470-K477 PolarHBondContact O-NZ 3.42Å; H473-K477 PolarHBondContact O-N 2.63Å; H473-K477 VanDerWaalsContact O-N 3.15Å; E474-K477 CarbonylContact O-C 3.52Å; E474-K477 WeakPolarHBondContact O-CB 3.43Å; E474-K477 PolarHBondContact O-N 3.15Å; E474-K477 VanDerWaalsContact O-N 3.1Å; K477-G479 VanDerWaalsContact C-N 3.34Å; K477-G479 PolarHBondContact O-N 2.93Å; K477-I480 PolarHBondContact O-N 3.38Å; K477-L481 WeakPolarHBondContact O-CB 3.36Å; K477-L481 PolarHBondContact O-N 2.8Å
478	K	91.9	Very high	86.7	Confident	6 Å²	6	25.6 Å²	25.6	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-57.1	-44	173.4	-74.8	164.1	173.3	158.5	0	111.1	Y459 E460 A463 E474 L481 L482	Y459-K478 HydrophobicContact CE1-CB 4.45Å; Y459-K478 HydrophobicContact CE1-CD 4.05Å; Y459-K478 HydrophobicContact CE1-CG 4.05Å; Y459-K478 HydrophobicContact CE2-CB 4.25Å; Y459-K478 HydrophobicContact CE2-CG 4.33Å; E460-K478 WeakPolarHBondContact OE1-CE 3.47Å; E460-K478 IonicContact OE1-NZ 3.9Å; E460-K478 PolarHBondContact OE1-NZ 2.81Å; A463-K478 HydrophobicContact CB-CB 4.42Å; A463-K478 HydrophobicContact CB-CG 3.52Å; E474-K478 HydrophobicContact CB-CD 4.48Å; E474-K478 WeakPolarHBondContact O-CB 3.4Å; E474-K478 WeakPolarHBondContact O-CG 3.45Å; E474-K478 PolarHBondContact O-N 2.93Å; E474-K478 IonicContact OE2-NZ 3.81Å; E474-K478 PolarHBondContact OE2-NZ 2.88Å; K478-L481 WeakPolarHBondContact O-CB 3.42Å; K478-L481 PolarHBondContact O-N 3.05Å; K478-L482 WeakPolarHBondContact O-CG 3.49Å; K478-L482 PolarHBondContact O-N 2.88Å; K478-L482 VanDerWaalsContact O-N 3.14Å
479	G	92.3	Very high	86.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-42.9	173.5	0	0	0	0	0	114.7	D475 I476 K477 L482 Q483 I506	D475-G479 PolarHBondContact O-N 3.1Å; I476-G479 PolarHBondContact O-N 2.98Å; K477-G479 VanDerWaalsContact C-N 3.34Å; K477-G479 PolarHBondContact O-N 2.93Å; G479-L482 PolarHBondContact O-N 3.1Å; G479-Q483 PolarHBondContact O-N 3.01Å; G479-I506 WeakPolarHBondContact O-CD1 3.48Å
480	I	92.5	Very high	86.9	Confident	1 Å²	1	30 Å²	30	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-68.3	-37.5	177.5	-64.5	156.6	0	0	0	111	L466 I476 K477 L482 Q483 L484 L519 V523	L466-I480 HydrophobicContact CD1-CB 4.3Å; L466-I480 HydrophobicContact CD1-CG2 3.95Å; L466-I480 HydrophobicContact CD2-CG2 4.4Å; I476-I480 HydrophobicContact CG2-CD1 3.97Å; I476-I480 WeakPolarHBondContact O-CD1 3.21Å; I476-I480 VanDerWaalsContact O-CG1 3.27Å; I476-I480 WeakPolarHBondContact O-CG1 3.28Å; I476-I480 PolarHBondContact O-N 2.95Å; K477-I480 PolarHBondContact O-N 3.38Å; I480-L482 VanDerWaalsContact C-N 3.33Å; I480-L482 PolarHBondContact O-N 2.97Å; I480-Q483 CarbonylContact O-C 3.52Å; I480-Q483 WeakPolarHBondContact O-CA 3.47Å; I480-Q483 WeakPolarHBondContact O-CB 3.27Å; I480-Q483 PolarHBondContact O-N 3.33Å; I480-L484 WeakPolarHBondContact O-CG 3.44Å; I480-L484 PolarHBondContact O-N 2.98Å; I480-L519 HydrophobicContact CD1-CD1 3.76Å; I480-L519 HydrophobicContact CD1-CD2 3.58Å; I480-L519 HydrophobicContact CD1-CG 3.88Å; I480-V523 HydrophobicContact CG2-CG2 3.82Å
481	L	92.3	Very high	86.4	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-46.8	173.3	-173.6	69.4	0	0	0	110.6	Y459 L462 A463 L466 K477 K478 Q483 L484 F485 V747	Y459-L481 HydrophobicContact CD2-CD2 4.13Å; L462-L481 HydrophobicContact CB-CD1 4.12Å; L462-L481 HydrophobicContact CB-CD2 3.76Å; A463-L481 HydrophobicContact CB-CD2 4.38Å; L466-L481 HydrophobicContact CD1-CB 4.33Å; K477-L481 WeakPolarHBondContact O-CB 3.36Å; K477-L481 PolarHBondContact O-N 2.8Å; K478-L481 WeakPolarHBondContact O-CB 3.42Å; K478-L481 PolarHBondContact O-N 3.05Å; L481-Q483 VanDerWaalsContact C-N 3.28Å; L481-Q483 PolarHBondContact O-N 2.73Å; L481-L484 WeakPolarHBondContact O-CB 3.33Å; L481-L484 PolarHBondContact O-N 3.24Å; L481-L484 VanDerWaalsContact O-N 3.14Å; L481-F485 HydrophobicContact CD1-CD2 4.37Å; L481-F485 HydrophobicContact CD1-CE2 3.72Å; L481-F485 HydrophobicContact CG-CD2 4.19Å; L481-F485 HydrophobicContact CG-CE2 3.83Å; L481-F485 VanDerWaalsContact O-CD2 3.23Å; L481-F485 WeakPolarHBondContact O-CD2 2.92Å; L481-F485 PolarHBondContact O-N 2.77Å; L481-V747 HydrophobicContact CD2-CG1 4.48Å
482	L	92.7	Very high	86.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-33.2	173.2	-64.2	175.2	0	0	0	112.7	Y459 K478 G479 I480 G486 I504 L740 A743 H744 V747 L764	Y459-L482 HydrophobicContact CE2-CD2 4.31Å; Y459-L482 HydrophobicContact CE2-CG 4.38Å; K478-L482 WeakPolarHBondContact O-CG 3.49Å; K478-L482 PolarHBondContact O-N 2.88Å; K478-L482 VanDerWaalsContact O-N 3.14Å; G479-L482 PolarHBondContact O-N 3.1Å; I480-L482 VanDerWaalsContact C-N 3.33Å; I480-L482 PolarHBondContact O-N 2.97Å; L482-G486 PolarHBondContact O-N 2.79Å; L482-I504 HydrophobicContact CB-CD1 4.41Å; L482-I504 WeakPolarHBondContact O-CD1 3.3Å; L482-L740 HydrophobicContact CB-CD2 4.41Å; L482-L740 HydrophobicContact CD1-CD2 3.92Å; L482-A743 HydrophobicContact CB-CB 4.07Å; L482-A743 HydrophobicContact CD2-CB 3.87Å; L482-H744 HydrophobicContact CD2-CB 3.97Å; L482-V747 HydrophobicContact CD2-CG2 3.95Å; L482-L764 HydrophobicContact CD1-CD2 3.58Å
483	Q	93.1	Very high	85.9	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-66.7	-37.2	173.3	-168.2	173.2	38.7	0	0	112.6	G479 I480 L481 I504 I506 I570 V613	G479-Q483 PolarHBondContact O-N 3.01Å; I480-Q483 CarbonylContact O-C 3.52Å; I480-Q483 WeakPolarHBondContact O-CA 3.47Å; I480-Q483 WeakPolarHBondContact O-CB 3.27Å; I480-Q483 PolarHBondContact O-N 3.33Å; L481-Q483 VanDerWaalsContact C-N 3.28Å; L481-Q483 PolarHBondContact O-N 2.73Å; Q483-I504 PolarHBondContact NE2-O 3.25Å; Q483-I506 HydrophobicContact CB-CD1 3.86Å; Q483-I506 HydrophobicContact CG-CD1 4.39Å; Q483-I570 HydrophobicContact CG-CD1 4.11Å; Q483-V613 PolarHBondContact NE2-O 3.28Å; Q483-V613 VanDerWaalsContact NE2-O 3.16Å
484	L	89.6	Confident	85.5	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-36.6	176.6	-68.1	171.3	0	0	0	112.6	L429 L466 I480 L481 L526 V527 I570 I691 H695	L429-L484 HydrophobicContact CD1-CD2 4.19Å; L466-L484 HydrophobicContact CD1-CD1 3.93Å; I480-L484 WeakPolarHBondContact O-CG 3.44Å; I480-L484 PolarHBondContact O-N 2.98Å; L481-L484 WeakPolarHBondContact O-CB 3.33Å; L481-L484 PolarHBondContact O-N 3.24Å; L481-L484 VanDerWaalsContact O-N 3.14Å; L484-L526 HydrophobicContact CD1-CD2 4.03Å; L484-V527 HydrophobicContact CD2-CG2 3.55Å; L484-I570 HydrophobicContact CD2-CD1 3.9Å; L484-I691 HydrophobicContact CB-CD1 4.41Å; L484-I691 HydrophobicContact CD1-CD1 4.28Å; L484-H695 PolarHBondContact O-NE2 3.1Å
485	F	88.3	Confident	84.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-81.1	-36.4	174.2	-70.3	-75.8	0	0	0	113.2	L481 Y690 I691 A694 H695 K746 V747	L481-F485 HydrophobicContact CD1-CD2 4.37Å; L481-F485 HydrophobicContact CD1-CE2 3.72Å; L481-F485 HydrophobicContact CG-CD2 4.19Å; L481-F485 HydrophobicContact CG-CE2 3.83Å; L481-F485 VanDerWaalsContact O-CD2 3.23Å; L481-F485 WeakPolarHBondContact O-CD2 2.92Å; L481-F485 PolarHBondContact O-N 2.77Å; F485-Y690 HydrophobicContact CE1-CD1 4.07Å; F485-Y690 HydrophobicContact CE1-CE1 4.31Å; F485-Y690 AromaticContact CZ-CD1 3.83Å; F485-Y690 HydrophobicContact CZ-CD1 3.83Å; F485-Y690 HydrophobicContact CZ-CE1 4.02Å; F485-I691 HydrophobicContact CD1-CG1 4.47Å; F485-I691 HydrophobicContact CE1-CB 4.34Å; F485-I691 HydrophobicContact CE1-CG1 3.82Å; F485-I691 HydrophobicContact CE2-CG1 4.33Å; F485-I691 HydrophobicContact CZ-CG1 3.74Å; F485-A694 HydrophobicContact CD1-CB 3.73Å; F485-A694 HydrophobicContact CE1-CB 3.54Å; F485-H695 PolarHBondContact O-CE1 3.41Å; F485-K746 HydrophobicContact CB-CB 4.27Å; F485-K746 HydrophobicContact CB-CD 4.27Å; F485-K746 HydrophobicContact CD1-CB 4.37Å; F485-K746 PolarHBondContact O-NZ 2.9Å; F485-V747 HydrophobicContact CD2-CG2 3.62Å; F485-V747 HydrophobicContact CE2-CB 4.3Å; F485-V747 HydrophobicContact CE2-CG1 4.28Å; F485-V747 HydrophobicContact CE2-CG2 3.73Å; F485-V747 HydrophobicContact CG-CG2 4.4Å
486	G	85.6	Confident	83.9	Confident	9 Å²	9	45 Å²	45	9%	0.093	25%	0.25	C	C	.	.			trans	62.2	168.8	179.4	0	0	0	0	0	115.6	L482 K746	L482-G486 PolarHBondContact O-N 2.79Å; G486-K746 WeakPolarHBondContact O-CD 3.22Å; G486-K746 VanDerWaalsContact O-CE 3.29Å; G486-K746 WeakPolarHBondContact O-CE 3.35Å; G486-K746 PolarHBondContact O-NZ 3.46Å
487	G	83.4	Confident	82.8	Confident	6 Å²	6	52.1 Å²	52.1	6%	0.062	28%	0.276	C	S	.	.			trans	-70.8	-178.3	174.8	0	0	0	0	0	113.7	A502 K746	G487-A502 WeakPolarHBondContact CA-O 3.39Å; G487-A502 PolarHBondContact N-O 3.2Å; G487-K746 PolarHBondContact O-NZ 3.1Å
488	T	85.6	Confident	81.6	Confident	17 Å²	17	53.8 Å²	53.8	10%	0.104	30%	0.298	C	S	.	.			trans	-85.1	144	173.9	63.8	0	0	0	0	112.4	K490 A502 P700 E742	T488-K490 PolarHBondContact O-N 3.18Å; T488-K490 WeakPolarHBondContact OG1-CE 3.21Å; T488-A502 VanDerWaalsContact O-CB 3.28Å; T488-A502 WeakPolarHBondContact O-CB 3.4Å; T488-P700 VanDerWaalsContact CG2-CD 3.46Å; T488-P700 HydrophobicContact CG2-CG 3.64Å; T488-E742 WeakPolarHBondContact CB-OE2 3.28Å; T488-E742 HydrophobicContact CG2-CB 4.48Å; T488-E742 HydrophobicContact CG2-CG 4.46Å; T488-E742 PolarHBondContact N-OE2 2.71Å; T488-E742 PolarHBondContact OG1-OE2 2.81Å
489	R	80.6	Confident	80.5	Confident	131 Å²	131	61 Å²	61	49%	0.494	33%	0.33	S	S	.	.			trans	-78.3	111.1	171.6	-66.9	177	177.1	-158.9	-11	108.4	A502 N568	R489-A502 HydrophobicContact CG-CB 4.28Å; R489-N568 PolarHBondContact NH1-OD1 3.49Å; R489-N568 PolarHBondContact NH2-OD1 2.8Å
490	K	79.9	Confident	79.9	Confident	55 Å²	55	64 Å²	64	24%	0.239	34%	0.343	C	S	.	.			trans	-111.2	99.2	-178.5	-62.1	-179.7	-171.1	173.8	0	110.5	T488 F492 E742	T488-K490 PolarHBondContact O-N 3.18Å; T488-K490 WeakPolarHBondContact OG1-CE 3.21Å; K490-F492 HydrophobicContact CB-CD2 4.1Å; K490-F492 HydrophobicContact CB-CE2 3.49Å; K490-F492 VanDerWaalsContact CB-CE2 3.49Å; K490-F492 HydrophobicContact CB-CZ 4.01Å; K490-F492 HydrophobicContact CD-CE2 4.16Å; K490-F492 HydrophobicContact CD-CZ 4.11Å; K490-F492 HydrophobicContact CG-CE2 4.48Å; K490-F492 VanDerWaalsContact O-CD2 3.24Å; K490-F492 WeakPolarHBondContact O-CD2 3.29Å; K490-F492 PolarHBondContact O-N 3.12Å; K490-E742 WeakPolarHBondContact CE-OE1 3.38Å; K490-E742 IonicContact NZ-OE1 3.96Å; K490-E742 PolarHBondContact NZ-OE1 2.83Å; K490-E742 IonicContact NZ-OE2 2.73Å
491	D	71.5	Confident	79.6	Confident	127 Å²	127	64.8 Å²	64.8	68%	0.679	35%	0.346	S	S	*	.			trans	-79.1	109.7	174.5	-77.1	-51.3	0	0	0	111.2	S493	D491-S493 VanDerWaalsContact C-N 3.32Å
492	F	73.4	Confident	79.3	Confident	78 Å²	78	65.2 Å²	65.2	34%	0.342	35%	0.349	S	S	.	.			trans	-95.1	27.4	177.8	-69.9	-78.4	0	0	0	113.1	K490 H494 T495 G496 R497 F500	K490-F492 HydrophobicContact CB-CD2 4.1Å; K490-F492 HydrophobicContact CB-CE2 3.49Å; K490-F492 VanDerWaalsContact CB-CE2 3.49Å; K490-F492 HydrophobicContact CB-CZ 4.01Å; K490-F492 HydrophobicContact CD-CE2 4.16Å; K490-F492 HydrophobicContact CD-CZ 4.11Å; K490-F492 HydrophobicContact CG-CE2 4.48Å; K490-F492 VanDerWaalsContact O-CD2 3.24Å; K490-F492 WeakPolarHBondContact O-CD2 3.29Å; K490-F492 PolarHBondContact O-N 3.12Å; F492-H494 PolarHBondContact O-N 2.84Å; F492-H494 VanDerWaalsContact O-N 3.11Å; F492-T495 PolarHBondContact O-N 2.87Å; F492-T495 PolarHBondContact O-OG1 3.17Å; F492-G496 PolarHBondContact O-N 3.39Å; F492-R497 HydrophobicContact CB-CB 4.37Å; F492-F500 AromaticContact CD2-CD2 3.56Å; F492-F500 HydrophobicContact CD2-CD2 3.56Å; F492-F500 AromaticContact CD2-CE2 3.9Å; F492-F500 HydrophobicContact CD2-CE2 3.9Å; F492-F500 AromaticContact CE2-CD2 3.68Å; F492-F500 HydrophobicContact CE2-CD2 3.68Å; F492-F500 AromaticContact CE2-CE2 3.97Å; F492-F500 HydrophobicContact CE2-CE2 3.97Å; F492-F500 HydrophobicContact CE2-CG 4.46Å
493	S	72.2	Confident	79.2	Confident	104 Å²	104	66.2 Å²	66.2	73%	0.727	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-50.7	-38.7	-178.5	54.2	0	0	0	0	113.3	D491 T495 G496	D491-S493 VanDerWaalsContact C-N 3.32Å; S493-T495 VanDerWaalsContact C-N 3.3Å; S493-T495 PolarHBondContact O-N 3.24Å; S493-G496 PolarHBondContact O-N 3.33Å
494	H	72.6	Confident	79.1	Confident	184 Å²	184	65.8 Å²	65.8	85%	0.852	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-63.8	-26.4	178.1	-172.5	-75.7	0	0	0	114.4	F492	F492-H494 PolarHBondContact O-N 2.84Å; F492-H494 VanDerWaalsContact O-N 3.11Å
495	T	74.1	Confident	79.3	Confident	94 Å²	94	65.1 Å²	65.1	58%	0.577	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-102.3	4.1	-179.1	60.9	0	0	0	0	113.2	F492 S493 R497	F492-T495 PolarHBondContact O-N 2.87Å; F492-T495 PolarHBondContact O-OG1 3.17Å; S493-T495 VanDerWaalsContact C-N 3.3Å; S493-T495 PolarHBondContact O-N 3.24Å; T495-R497 PolarHBondContact O-N 3.44Å
496	G	68.1	Low	79.6	Confident	74 Å²	74	65.1 Å²	65.1	76%	0.763	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	1.1	-176.2	0	0	0	0	0	114.5	F492 S493	F492-G496 PolarHBondContact O-N 3.39Å; S493-G496 PolarHBondContact O-N 3.33Å
497	R	66.9	Low	80	Confident	163 Å²	163	64.7 Å²	64.7	62%	0.615	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-77.8	132.5	176.7	-164.9	165.6	-179.6	167.8	-3.6	108.5	F492 T495 F500	F492-R497 HydrophobicContact CB-CB 4.37Å; T495-R497 PolarHBondContact O-N 3.44Å; R497-F500 HydrophobicContact CG-CE2 3.96Å; R497-F500 VanDerWaalsContact NE-CZ 3.35Å
498	G	66.5	Low	80.4	Confident	54 Å²	54	64.4 Å²	64.4	56%	0.557	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-60.5	168.5	-173.5	0	0	0	0	0	114.2	F500	G498-F500 PolarHBondContact O-N 3.5Å
499	K	69.4	Low	80.6	Confident	158 Å²	158	63.6 Å²	63.6	69%	0.687	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-58	125.5	176.8	-63	179.6	-180	178.9	0	109.8
500	F	80.4	Confident	81	Confident	64 Å²	64	57.4 Å²	57.4	28%	0.281	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-88.2	139.1	173	-84	-95.6	0	0	0	110.4	F492 R497 G498 A502	F492-F500 AromaticContact CD2-CD2 3.56Å; F492-F500 HydrophobicContact CD2-CD2 3.56Å; F492-F500 AromaticContact CD2-CE2 3.9Å; F492-F500 HydrophobicContact CD2-CE2 3.9Å; F492-F500 AromaticContact CE2-CD2 3.68Å; F492-F500 HydrophobicContact CE2-CD2 3.68Å; F492-F500 AromaticContact CE2-CE2 3.97Å; F492-F500 HydrophobicContact CE2-CE2 3.97Å; F492-F500 HydrophobicContact CE2-CG 4.46Å; R497-F500 HydrophobicContact CG-CE2 3.96Å; R497-F500 VanDerWaalsContact NE-CZ 3.35Å; G498-F500 PolarHBondContact O-N 3.5Å; F500-A502 PolarHBondContact O-N 3.14Å
501	R	86.6	Confident	81.3	Confident	17 Å²	17	55 Å²	55	6%	0.064	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60.3	122.1	169.5	-174.1	178.1	93	-152.3	6.2	110.3	E503 N505 M591 Q594 R643 D645 R739	R501-E503 HydrophobicContact CG-CB 4.37Å; R501-E503 WeakPolarHBondContact CG-O 3.41Å; R501-E503 PolarHBondContact NE-O 3.11Å; R501-N505 PolarHBondContact NH1-ND2 2.89Å; R501-M591 WeakPolarHBondContact CD-O 3.48Å; R501-M591 PolarHBondContact NH1-O 3.22Å; R501-Q594 HydrophobicContact CB-CG 4.39Å; R501-Q594 HydrophobicContact CG-CG 4.12Å; R501-R643 PolarHBondContact NH1-O 3.24Å; R501-R643 VanDerWaalsContact NH1-O 3.07Å; R501-R643 PolarHBondContact NH2-O 2.77Å; R501-D645 IonicContact CZ-OD2 2.76Å; R501-D645 IonicContact NH2-OD1 3.24Å; R501-D645 PolarHBondContact NH2-OD1 3.41Å; R501-D645 VanDerWaalsContact NH2-OD1 3.09Å; R501-D645 IonicContact NH2-OD2 3.91Å; R501-D645 PolarHBondContact NH2-OD2 2.87Å; R501-R739 PolarHBondContact O-NE 2.91Å; R501-R739 PolarHBondContact O-NH2 2.92Å
502	A	86	Confident	82.1	Confident	9 Å²	9	52.4 Å²	52.4	7%	0.074	29%	0.293	C	S	.	.			trans	-93.7	-26.7	171.7	0	0	0	0	0	112.7	G487 T488 R489 F500	G487-A502 WeakPolarHBondContact CA-O 3.39Å; G487-A502 PolarHBondContact N-O 3.2Å; T488-A502 VanDerWaalsContact O-CB 3.28Å; T488-A502 WeakPolarHBondContact O-CB 3.4Å; R489-A502 HydrophobicContact CG-CB 4.28Å; F500-A502 PolarHBondContact O-N 3.14Å
503	E	88.6	Confident	82.5	Confident	22 Å²	22	52.2 Å²	52.2	10%	0.103	31%	0.313	C	S	.	.	S	Bend	trans	-71.3	147	-179.6	-76.2	127	-116	0	0	113.6	R501 Q594 T611 S612	R501-E503 HydrophobicContact CG-CB 4.37Å; R501-E503 WeakPolarHBondContact CG-O 3.41Å; R501-E503 PolarHBondContact NE-O 3.11Å; E503-Q594 PolarHBondContact OE1-NE2 3.38Å; E503-Q594 PolarHBondContact OE2-NE2 2.9Å; E503-T611 VanDerWaalsContact OE2-C 3.24Å; E503-T611 PolarHBondContact OE2-N 3.38Å; E503-S612 PolarHBondContact OE2-N 3.04Å
504	I	92.6	Very high	83	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.282	C	S	.	.			trans	-96.1	130.6	177.6	-66.1	160.7	0	0	0	108.5	L482 Q483 I506 S612 D645 R739 L740 A743	L482-I504 HydrophobicContact CB-CD1 4.41Å; L482-I504 WeakPolarHBondContact O-CD1 3.3Å; Q483-I504 PolarHBondContact NE2-O 3.25Å; I504-I506 HydrophobicContact CG2-CD1 4.32Å; I504-I506 HydrophobicContact CG2-CG1 3.97Å; I504-S612 WeakPolarHBondContact O-CB 3.48Å; I504-D645 WeakPolarHBondContact CA-OD2 3.18Å; I504-D645 HydrophobicContact CG2-CB 4.18Å; I504-R739 HydrophobicContact CD1-CB 4.49Å; I504-R739 HydrophobicContact CG1-CB 3.96Å; I504-L740 HydrophobicContact CD1-CD2 3.99Å; I504-L740 HydrophobicContact CG2-CD2 4.34Å; I504-A743 HydrophobicContact CD1-CB 3.81Å
505	N	93.9	Very high	83.7	Confident	1 Å²	1	42 Å²	42	1%	0.005	26%	0.262	C	S	.	.			trans	-107.5	128	176.3	-72.7	-29.3	0	0	0	110.2	R501 M591 V613 F644 D645 L646	R501-N505 PolarHBondContact NH1-ND2 2.89Å; N505-M591 HydrophobicContact CB-CE 3.95Å; N505-V613 WeakPolarHBondContact CA-O 3.31Å; N505-V613 PolarHBondContact OD1-N 3.32Å; N505-F644 HydrophobicContact CB-CD1 4Å; N505-D645 PolarHBondContact N-OD2 3.09Å; N505-D645 PolarHBondContact O-N 2.92Å; N505-L646 PolarHBondContact O-N 3.06Å
506	I	94.1	Very high	84.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.9	-174.8	-58.3	-172.4	0	0	0	110.5	G479 Q483 I504 L508 V613 L614 A615 L646 F648	G479-I506 WeakPolarHBondContact O-CD1 3.48Å; Q483-I506 HydrophobicContact CB-CD1 3.86Å; Q483-I506 HydrophobicContact CG-CD1 4.39Å; I504-I506 HydrophobicContact CG2-CD1 4.32Å; I504-I506 HydrophobicContact CG2-CG1 3.97Å; I506-L508 HydrophobicContact CG2-CD2 3.99Å; I506-L508 HydrophobicContact CG2-CG 4.5Å; I506-V613 PolarHBondContact N-O 3.18Å; I506-L614 HydrophobicContact CB-CD1 3.76Å; I506-L614 HydrophobicContact CG2-CD1 3.84Å; I506-A615 PolarHBondContact O-N 3.14Å; I506-L646 WeakPolarHBondContact CA-O 3.42Å; I506-L646 HydrophobicContact CD1-CD1 4.32Å; I506-L646 HydrophobicContact CG1-CB 4.35Å; I506-F648 HydrophobicContact CG2-CD2 3.77Å; I506-F648 HydrophobicContact CG2-CE2 3.95Å
507	L	92.8	Very high	85.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.8	171.4	179.8	62	0	0	0	110.2	A615 A617 L636 L641 F644 L646 I647 F648	L507-A615 HydrophobicContact CD1-CB 3.81Å; L507-A617 HydrophobicContact CD1-CB 4.02Å; L507-L636 HydrophobicContact CD2-CD1 4.22Å; L507-L641 HydrophobicContact CD2-CD2 3.96Å; L507-F644 HydrophobicContact CB-CB 4.38Å; L507-F644 HydrophobicContact CB-CD1 3.73Å; L507-F644 HydrophobicContact CB-CD2 4.17Å; L507-F644 HydrophobicContact CB-CE1 3.96Å; L507-F644 HydrophobicContact CB-CE2 4.38Å; L507-F644 HydrophobicContact CB-CG 3.84Å; L507-F644 HydrophobicContact CB-CZ 4.27Å; L507-F644 HydrophobicContact CD1-CZ 4.32Å; L507-F644 HydrophobicContact CD2-CD2 4.21Å; L507-F644 HydrophobicContact CD2-CE2 4.19Å; L507-L646 PolarHBondContact N-O 3.38Å; L507-I647 HydrophobicContact CB-CG1 4.23Å; L507-I647 HydrophobicContact CB-CG2 4.37Å; L507-I647 HydrophobicContact CD2-CG1 4.4Å; L507-I647 HydrophobicContact CD2-CG2 4.13Å; L507-I647 HydrophobicContact CG-CG2 4.36Å; L507-I647 CarbonylContact O-C 3.59Å; L507-I647 WeakPolarHBondContact O-CA 3.17Å; L507-F648 PolarHBondContact O-N 3.35Å
508	L	92.7	Very high	86.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	103.8	176	-61	-174.7	0	0	0	109.2	I476 I506 L519 L520 L614 A615 A616 A617 F648 M650	I476-L508 HydrophobicContact CG2-CD2 3.73Å; I506-L508 HydrophobicContact CG2-CD2 3.99Å; I506-L508 HydrophobicContact CG2-CG 4.5Å; L508-L519 HydrophobicContact CD1-CD1 4.16Å; L508-L519 HydrophobicContact CD1-CD2 3.63Å; L508-L519 HydrophobicContact CD1-CG 4.49Å; L508-L520 HydrophobicContact CD1-CD2 4.49Å; L508-L614 HydrophobicContact CD1-CD1 4.26Å; L508-L614 HydrophobicContact CG-CD1 4.27Å; L508-A615 PolarHBondContact N-O 3.39Å; L508-A616 HydrophobicContact CB-CB 4.5Å; L508-A616 WeakPolarHBondContact O-CA 3.41Å; L508-A617 PolarHBondContact O-N 3.39Å; L508-F648 HydrophobicContact CD2-CB 4.03Å; L508-F648 HydrophobicContact CD2-CD2 3.91Å; L508-F648 HydrophobicContact CD2-CG 4.37Å; L508-M650 HydrophobicContact CB-CE 3.68Å; L508-M650 HydrophobicContact CD1-CE 4.43Å; L508-M650 HydrophobicContact CD2-CE 4.24Å; L508-M650 HydrophobicContact CG-CE 4.33Å
509	C	89.4	Confident	87.8	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	151.4	176.3	-167.6	0	0	0	0	110.8	A617 F648 L649 M650	C509-A617 WeakPolarHBondContact CA-O 3.3Å; C509-F648 PolarHBondContact N-O 2.84Å; C509-F648 VanDerWaalsContact O-O 3.13Å; C509-L649 HydrophobicContact CB-CD2 4.19Å; C509-M650 PolarHBondContact O-N 3.34Å
510	G	88.4	Confident	88.8	Confident	1 Å²	1	24 Å²	24	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-171.8	177.4	0	0	0	0	0	115	K516 P619 M650	G510-K516 VanDerWaalsContact C-NZ 3.27Å; G510-K516 WeakPolarHBondContact O-CE 3.21Å; G510-K516 PolarHBondContact O-NZ 3.31Å; G510-P619 WeakPolarHBondContact O-CD 3.44Å; G510-M650 WeakPolarHBondContact CA-O 3.2Å
511	D	87.8	Confident	89.3	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	16%	0.155	C	C	.	.			trans	-75.6	151.9	179.1	-56	-53.6	0	0	0	112.2	T514 K516 Q623 W624 D652	D511-T514 WeakPolarHBondContact O-CG2 3.42Å; D511-T514 PolarHBondContact O-OG1 2.8Å; D511-K516 WeakPolarHBondContact O-CE 3.14Å; D511-Q623 WeakPolarHBondContact OD1-CA 3.11Å; D511-Q623 PolarHBondContact OD1-NE2 3.28Å; D511-Q623 PolarHBondContact OD2-NE2 2.94Å; D511-W624 PolarHBondContact OD1-N 3.29Å; D511-D652 HydrophobicContact CB-CB 4.3Å; D511-D652 PolarHBondContact OD2-N 2.97Å
512	P	87.3	Confident	89.4	Confident	72 Å²	72	26.2 Å²	26.2	47%	0.468	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	147.8	167.1	-25	33.9	0	0	0	111.9	S622	P512-S622 WeakPolarHBondContact CD-O 3.26Å
513	G	82	Confident	89.6	Confident	74 Å²	74	25.8 Å²	25.8	76%	0.763	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.4	-23.8	-176.7	0	0	0	0	0	114.4	S515	G513-S515 PolarHBondContact O-N 2.86Å
514	T	83.8	Confident	89.7	Confident	12 Å²	12	27.7 Å²	27.7	7%	0.074	16%	0.164	C	C	.	.	S	Bend	trans	-70.1	33.5	179.1	58.6	0	0	0	0	115.2	D511 K516 M650 D652	D511-T514 WeakPolarHBondContact O-CG2 3.42Å; D511-T514 PolarHBondContact O-OG1 2.8Å; T514-K516 PolarHBondContact O-N 2.78Å; T514-K516 WeakPolarHBondContact OG1-CE 3.16Å; T514-K516 WeakPolarHBondContact OG1-CG 3.3Å; T514-M650 HydrophobicContact CG2-CB 4.35Å; T514-D652 HydrophobicContact CG2-CB 4.13Å
515	S	86.9	Confident	89.3	Confident	61 Å²	61	32 Å²	32	43%	0.427	19%	0.188	S	C	.	.	S	Bend	trans	53.4	6.9	172.8	-64.8	0	0	0	0	118.6	G513 S517 Q518 L519	G513-S515 PolarHBondContact O-N 2.86Å; S515-S517 PolarHBondContact O-N 2.74Å; S515-Q518 WeakPolarHBondContact O-CA 3.25Å; S515-Q518 VanDerWaalsContact O-CB 3.29Å; S515-Q518 WeakPolarHBondContact O-CB 3.27Å; S515-Q518 PolarHBondContact O-N 2.89Å; S515-L519 PolarHBondContact O-N 3.01Å
516	K	89.8	Confident	88.9	Confident	9 Å²	9	32.4 Å²	32.4	4%	0.039	19%	0.19	C	C	.	.	H	α-helix	trans	-53	-47.2	-173.4	-30.4	-178.3	-163	145.2	0	114	G510 D511 T514 Q518 L519 L520 A616 A617 N618 M650	G510-K516 VanDerWaalsContact C-NZ 3.27Å; G510-K516 WeakPolarHBondContact O-CE 3.21Å; G510-K516 PolarHBondContact O-NZ 3.31Å; D511-K516 WeakPolarHBondContact O-CE 3.14Å; T514-K516 PolarHBondContact O-N 2.78Å; T514-K516 WeakPolarHBondContact OG1-CE 3.16Å; T514-K516 WeakPolarHBondContact OG1-CG 3.3Å; K516-Q518 VanDerWaalsContact C-N 3.28Å; K516-Q518 PolarHBondContact O-N 3.19Å; K516-L519 WeakPolarHBondContact O-CB 3.3Å; K516-L519 PolarHBondContact O-N 2.8Å; K516-L520 WeakPolarHBondContact O-CG 3.34Å; K516-L520 PolarHBondContact O-N 3.33Å; K516-A616 HydrophobicContact CB-CB 4.2Å; K516-A616 HydrophobicContact CD-CB 4.44Å; K516-A617 PolarHBondContact NZ-O 3.28Å; K516-N618 PolarHBondContact NZ-OD1 2.88Å; K516-M650 HydrophobicContact CB-CE 4.28Å; K516-M650 HydrophobicContact CD-CE 3.78Å; K516-M650 HydrophobicContact CG-CE 3.62Å; K516-M650 HydrophobicContact CG-SD 4.21Å
517	S	90.3	Very high	88.4	Confident	44 Å²	44	32.7 Å²	32.7	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-65.8	-32.3	-179.4	-49.3	0	0	0	0	112	S515 L520 Q521 D574	S515-S517 PolarHBondContact O-N 2.74Å; S517-L520 PolarHBondContact O-N 3.3Å; S517-Q521 WeakPolarHBondContact O-CB 3.4Å; S517-Q521 VanDerWaalsContact O-CG 3.25Å; S517-Q521 WeakPolarHBondContact O-CG 3.33Å; S517-Q521 PolarHBondContact O-N 2.94Å; S517-D574 VanDerWaalsContact CB-OD2 3.25Å; S517-D574 WeakPolarHBondContact CB-OD2 2.85Å; S517-D574 PolarHBondContact OG-OD2 2.8Å
518	Q	89.7	Confident	87.6	Confident	104 Å²	104	34 Å²	34	49%	0.486	20%	0.2	S	C	.	.	H	α-helix	trans	-67.7	-41.8	174.2	-170.5	64.4	20.6	0	0	111	S515 K516 Q521 Y522	S515-Q518 WeakPolarHBondContact O-CA 3.25Å; S515-Q518 VanDerWaalsContact O-CB 3.29Å; S515-Q518 WeakPolarHBondContact O-CB 3.27Å; S515-Q518 PolarHBondContact O-N 2.89Å; K516-Q518 VanDerWaalsContact C-N 3.28Å; K516-Q518 PolarHBondContact O-N 3.19Å; Q518-Q521 PolarHBondContact O-N 2.73Å; Q518-Y522 WeakPolarHBondContact O-CB 3.38Å; Q518-Y522 PolarHBondContact O-N 3.31Å
519	L	90.7	Very high	86.9	Confident	9 Å²	9	39 Å²	39	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-46.4	173	178.5	166.9	0	0	0	111.2	I470 I476 I480 L508 S515 K516 Q521 Y522 V523 L614	I470-L519 HydrophobicContact CD1-CB 3.78Å; I470-L519 HydrophobicContact CD1-CG 4.44Å; I476-L519 HydrophobicContact CG2-CD1 3.97Å; I480-L519 HydrophobicContact CD1-CD1 3.76Å; I480-L519 HydrophobicContact CD1-CD2 3.58Å; I480-L519 HydrophobicContact CD1-CG 3.88Å; L508-L519 HydrophobicContact CD1-CD1 4.16Å; L508-L519 HydrophobicContact CD1-CD2 3.63Å; L508-L519 HydrophobicContact CD1-CG 4.49Å; S515-L519 PolarHBondContact O-N 3.01Å; K516-L519 WeakPolarHBondContact O-CB 3.3Å; K516-L519 PolarHBondContact O-N 2.8Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.02Å; L519-Y522 PolarHBondContact O-N 3.24Å; L519-V523 HydrophobicContact CD2-CG2 4.33Å; L519-V523 WeakPolarHBondContact O-CG2 3.22Å; L519-V523 PolarHBondContact O-N 3.27Å; L519-L614 HydrophobicContact CD2-CD2 4.32Å
520	L	92.1	Very high	86.7	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-41.3	175.1	-69.5	-171.1	0	0	0	112.5	L508 K516 S517 Y524 Y532 C572 D574 L614 A616	L508-L520 HydrophobicContact CD1-CD2 4.49Å; K516-L520 WeakPolarHBondContact O-CG 3.34Å; K516-L520 PolarHBondContact O-N 3.33Å; S517-L520 PolarHBondContact O-N 3.3Å; L520-Y524 WeakPolarHBondContact O-CB 3.41Å; L520-Y524 PolarHBondContact O-N 2.88Å; L520-Y532 HydrophobicContact CB-CD2 4.38Å; L520-Y532 HydrophobicContact CB-CE2 3.91Å; L520-Y532 HydrophobicContact CD1-CE2 4.45Å; L520-C572 HydrophobicContact CB-CB 4.31Å; L520-C572 HydrophobicContact CD2-CB 4.36Å; L520-C572 PolarHBondContact O-SG 3.46Å; L520-C572 VanDerWaalsContact O-SG 3.35Å; L520-D574 HydrophobicContact CD1-CB 3.8Å; L520-L614 HydrophobicContact CD2-CB 4.41Å; L520-L614 HydrophobicContact CD2-CD1 4.48Å; L520-L614 HydrophobicContact CD2-CD2 3.72Å; L520-L614 HydrophobicContact CD2-CG 3.53Å; L520-A616 HydrophobicContact CD1-CB 3.66Å; L520-A616 HydrophobicContact CG-CB 4.3Å
521	Q	90.2	Very high	86.7	Confident	76 Å²	76	41.7 Å²	41.7	36%	0.355	23%	0.231	S	C	.	.	H	α-helix	trans	-69.8	-39	178.6	-72.8	172.3	32.3	0	0	112.1	S517 Q518 L519 Y524 N525 Y532	S517-Q521 WeakPolarHBondContact O-CB 3.4Å; S517-Q521 VanDerWaalsContact O-CG 3.25Å; S517-Q521 WeakPolarHBondContact O-CG 3.33Å; S517-Q521 PolarHBondContact O-N 2.94Å; Q518-Q521 PolarHBondContact O-N 2.73Å; L519-Q521 VanDerWaalsContact C-N 3.3Å; L519-Q521 PolarHBondContact O-N 3.02Å; Q521-Y524 PolarHBondContact O-N 2.87Å; Q521-N525 WeakPolarHBondContact O-CB 3.01Å; Q521-N525 VanDerWaalsContact O-CG 3.29Å; Q521-N525 PolarHBondContact O-N 3.13Å; Q521-N525 PolarHBondContact O-ND2 2.98Å; Q521-Y532 HydrophobicContact CG-CD2 4.17Å; Q521-Y532 HydrophobicContact CG-CE2 3.7Å
522	Y	89.3	Confident	86.9	Confident	51 Å²	51	45.1 Å²	45.1	20%	0.2	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-48.1	173.8	-178.7	-90.5	0	0	0	111.4	L466 A467 Q518 L519 Y524 N525 L526	L466-Y522 HydrophobicContact CD2-CD1 4.21Å; L466-Y522 HydrophobicContact CD2-CE1 3.91Å; L466-Y522 HydrophobicContact CG-CE1 4.38Å; A467-Y522 HydrophobicContact CB-CD1 3.76Å; A467-Y522 HydrophobicContact CB-CD2 4.26Å; A467-Y522 HydrophobicContact CB-CE1 3.78Å; A467-Y522 HydrophobicContact CB-CE2 4.29Å; A467-Y522 HydrophobicContact CB-CG 4Å; A467-Y522 VanDerWaalsContact N-CZ 3.32Å; A467-Y522 PolarHBondContact N-OH 2.98Å; Q518-Y522 WeakPolarHBondContact O-CB 3.38Å; Q518-Y522 PolarHBondContact O-N 3.31Å; L519-Y522 PolarHBondContact O-N 3.24Å; Y522-Y524 PolarHBondContact O-N 2.76Å; Y522-N525 PolarHBondContact O-N 2.82Å; Y522-N525 VanDerWaalsContact O-N 3.15Å; Y522-L526 HydrophobicContact CE1-CD2 4.37Å; Y522-L526 PolarHBondContact O-N 2.79Å
523	V	90.3	Very high	87	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-42.4	176.5	175.4	0	0	0	0	111.4	I480 L519 N525 L526 V527 I570 L614	I480-V523 HydrophobicContact CG2-CG2 3.82Å; L519-V523 HydrophobicContact CD2-CG2 4.33Å; L519-V523 WeakPolarHBondContact O-CG2 3.22Å; L519-V523 PolarHBondContact O-N 3.27Å; V523-N525 VanDerWaalsContact C-N 3.28Å; V523-N525 PolarHBondContact O-N 2.85Å; V523-L526 PolarHBondContact O-N 2.97Å; V523-V527 HydrophobicContact CG1-CG2 3.94Å; V523-V527 WeakPolarHBondContact O-CB 3.5Å; V523-V527 WeakPolarHBondContact O-CG2 3.43Å; V523-V527 PolarHBondContact O-N 2.92Å; V523-I570 HydrophobicContact CG1-CD1 3.74Å; V523-I570 HydrophobicContact CG1-CG2 4.16Å; V523-L614 HydrophobicContact CB-CD2 4.12Å; V523-L614 HydrophobicContact CG1-CD2 3.94Å; V523-L614 HydrophobicContact CG2-CD2 4.08Å
524	Y	89.9	Confident	87.4	Confident	61 Å²	61	40.7 Å²	40.7	24%	0.239	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-33.7	174.7	162.5	-98.2	0	0	0	113.7	R428 L520 Q521 Y522 G530	R428-Y524 PolarHBondContact NH2-O 2.9Å; L520-Y524 WeakPolarHBondContact O-CB 3.41Å; L520-Y524 PolarHBondContact O-N 2.88Å; Q521-Y524 PolarHBondContact O-N 2.87Å; Y522-Y524 PolarHBondContact O-N 2.76Å; Y524-G530 WeakPolarHBondContact CD2-O 3.46Å; Y524-G530 WeakPolarHBondContact CE2-O 3.25Å
525	N	85.1	Confident	87.4	Confident	93 Å²	93	40.3 Å²	40.3	50%	0.497	20%	0.202	S	C	.	.	H	α-helix	trans	-75.9	-38.2	176.6	-73.4	-28	0	0	0	112.1	R428 Q521 Y522 V523	R428-N525 WeakPolarHBondContact CG-O 3.44Å; Q521-N525 WeakPolarHBondContact O-CB 3.01Å; Q521-N525 VanDerWaalsContact O-CG 3.29Å; Q521-N525 PolarHBondContact O-N 3.13Å; Q521-N525 PolarHBondContact O-ND2 2.98Å; Y522-N525 PolarHBondContact O-N 2.82Å; Y522-N525 VanDerWaalsContact O-N 3.15Å; V523-N525 VanDerWaalsContact C-N 3.28Å; V523-N525 PolarHBondContact O-N 2.85Å
526	L	84.8	Confident	87.2	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-38.1	177.3	-179.5	62.5	0	0	0	112.9	R428 L429 L484 Y522 V523 M684	R428-L526 CarbonylContact C-O 3.59Å; R428-L526 VanDerWaalsContact CA-O 3.27Å; R428-L526 WeakPolarHBondContact CA-O 3.43Å; L429-L526 HydrophobicContact CD1-CG 4.26Å; L429-L526 HydrophobicContact CD2-CD1 4.4Å; L429-L526 HydrophobicContact CG-CD1 4.24Å; L429-L526 HydrophobicContact CG-CG 4.28Å; L429-L526 PolarHBondContact N-O 2.87Å; L484-L526 HydrophobicContact CD1-CD2 4.03Å; Y522-L526 HydrophobicContact CE1-CD2 4.37Å; Y522-L526 PolarHBondContact O-N 2.79Å; V523-L526 PolarHBondContact O-N 2.97Å; L526-M684 HydrophobicContact CD1-SD 4.38Å
527	V	83.9	Confident	86.7	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.042	24%	0.239	C	C	.	.	S	Bend	trans	-89.3	125.5	-166	173.6	0	0	0	0	113.2	R428 L429 L484 V523 G530 I570	R428-V527 PolarHBondContact NE-O 2.87Å; L429-V527 HydrophobicContact CD1-CG2 4.32Å; L484-V527 HydrophobicContact CD2-CG2 3.55Å; V523-V527 HydrophobicContact CG1-CG2 3.94Å; V523-V527 WeakPolarHBondContact O-CB 3.5Å; V523-V527 WeakPolarHBondContact O-CG2 3.43Å; V523-V527 PolarHBondContact O-N 2.92Å; V527-G530 PolarHBondContact O-N 3.24Å; V527-I570 HydrophobicContact CG1-CB 4.22Å; V527-I570 HydrophobicContact CG1-CG1 4.46Å; V527-I570 HydrophobicContact CG2-CD1 4.07Å
528	P	75.1	Confident	86.2	Confident	26 Å²	26	45.1 Å²	45.1	17%	0.169	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	140.9	170.2	29.8	-35.3	0	0	0	109.4	R428 L429 G530	R428-P528 HydrophobicContact CB-CB 4.44Å; L429-P528 HydrophobicContact CB-CG 4.06Å; L429-P528 WeakPolarHBondContact O-CB 3.46Å; L429-P528 WeakPolarHBondContact O-CG 3.39Å; P528-G530 PolarHBondContact O-N 3.16Å
529	R	78.2	Confident	85.8	Confident	106 Å²	106	43.4 Å²	43.4	40%	0.4	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	10.3	-173.3	-51.8	173.5	65.2	138.4	-0.9	114.5	S566 D567	R529-S566 WeakPolarHBondContact O-CA 3.09Å; R529-S566 WeakPolarHBondContact O-CB 3.39Å; R529-D567 PolarHBondContact NE-O 2.95Å
530	G	84.5	Confident	85.3	Confident	1 Å²	1	44 Å²	44	1%	0.01	24%	0.237	C	C	.	.			trans	-60	141.2	172.2	0	0	0	0	0	111.5	Y524 V527 P528 I570	Y524-G530 WeakPolarHBondContact CD2-O 3.46Å; Y524-G530 WeakPolarHBondContact CE2-O 3.25Å; V527-G530 PolarHBondContact O-N 3.24Å; P528-G530 PolarHBondContact O-N 3.16Å; G530-I570 WeakPolarHBondContact CA-O 3.27Å
531	Q	88.7	Confident	84.8	Confident	57 Å²	57	47.4 Å²	47.4	27%	0.266	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.8	179.4	-69.4	-66.6	-15.8	0	0	110.5	L565 I570 C572	Q531-L565 HydrophobicContact CG-CB 4.44Å; Q531-I570 PolarHBondContact N-O 3.28Å; Q531-C572 PolarHBondContact O-N 3.3Å
532	Y	92.1	Very high	84.4	Confident	75 Å²	75	45.5 Å²	45.5	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127	177.8	-176.6	-90.2	0	0	0	110.6	L520 Q521 C572 D574	L520-Y532 HydrophobicContact CB-CD2 4.38Å; L520-Y532 HydrophobicContact CB-CE2 3.91Å; L520-Y532 HydrophobicContact CD1-CE2 4.45Å; Q521-Y532 HydrophobicContact CG-CD2 4.17Å; Q521-Y532 HydrophobicContact CG-CE2 3.7Å; Y532-C572 HydrophobicContact CD2-CB 3.96Å; Y532-D574 PolarHBondContact OH-OD2 3.01Å
533	T	90.1	Very high	84.2	Confident	13 Å²	13	43.1 Å²	43.1	8%	0.08	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150	-175.5	61	0	0	0	0	111.3	S538 L543 A562 C572 I573 D574	T533-S538 WeakPolarHBondContact CB-OG 3.32Å; T533-L543 HydrophobicContact CG2-CD2 4.33Å; T533-A562 HydrophobicContact CG2-CB 3.76Å; T533-C572 PolarHBondContact N-O 3.12Å; T533-C572 PolarHBondContact OG1-O 3.45Å; T533-I573 WeakPolarHBondContact O-CA 3.39Å; T533-D574 PolarHBondContact O-N 2.93Å
534	S	90.4	Very high	83.9	Confident	41 Å²	41	43.3 Å²	43.3	29%	0.287	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135	170.9	164.9	0	0	0	0	109.6	K536 G537 S538 D574	S534-K536 PolarHBondContact O-N 3.42Å; S534-K536 PolarHBondContact OG-N 3.15Å; S534-G537 PolarHBondContact O-N 3.01Å; S534-S538 VanDerWaalsContact O-CB 3.24Å; S534-S538 WeakPolarHBondContact O-CB 3.46Å; S534-S538 PolarHBondContact O-N 2.78Å; S534-S538 PolarHBondContact O-OG 3.01Å; S534-D574 CarbonylContact C-O 3.6Å
535	G	82.3	Confident	83.6	Confident	4 Å²	4	40.4 Å²	40.4	4%	0.041	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.5	-178.9	0	0	0	0	0	114.7	D574	G535-D574 PolarHBondContact N-O 2.97Å
536	K	83.8	Confident	83.6	Confident	128 Å²	128	39.9 Å²	39.9	56%	0.557	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-39.6	170.3	-69.5	-165	-168.2	108.1	0	113.3	S534 S538 E575 K578	S534-K536 PolarHBondContact O-N 3.42Å; S534-K536 PolarHBondContact OG-N 3.15Å; K536-S538 VanDerWaalsContact C-N 3.28Å; K536-S538 PolarHBondContact O-N 3.47Å; K536-E575 WeakPolarHBondContact CD-OE2 3.09Å; K536-E575 WeakPolarHBondContact CE-OE2 3.32Å; K536-E575 WeakPolarHBondContact CG-OE2 3.27Å; K536-E575 VanDerWaalsContact NZ-CD 3.26Å; K536-E575 IonicContact NZ-OE1 3.07Å; K536-E575 PolarHBondContact NZ-OE1 3.2Å; K536-E575 IonicContact NZ-OE2 3.78Å; K536-E575 PolarHBondContact NZ-OE2 3.09Å; K536-K578 HydrophobicContact CD-CB 4.41Å; K536-K578 HydrophobicContact CG-CB 3.7Å; K536-K578 HydrophobicContact CG-CG 4.46Å
537	G	78.7	Confident	83.6	Confident	67 Å²	67	41.4 Å²	41.4	69%	0.691	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-21.2	-179.4	0	0	0	0	0	113.7	S534	S534-G537 PolarHBondContact O-N 3.01Å
538	S	79.5	Confident	83.7	Confident	20 Å²	20	44.8 Å²	44.8	14%	0.14	26%	0.256	C	S	.	.			trans	-103.2	98.5	-169	-48.3	0	0	0	0	111.7	T533 S534 K536	T533-S538 WeakPolarHBondContact CB-OG 3.32Å; S534-S538 VanDerWaalsContact O-CB 3.24Å; S534-S538 WeakPolarHBondContact O-CB 3.46Å; S534-S538 PolarHBondContact O-N 2.78Å; S534-S538 PolarHBondContact O-OG 3.01Å; K536-S538 VanDerWaalsContact C-N 3.28Å; K536-S538 PolarHBondContact O-N 3.47Å
539	S	81.4	Confident	84.1	Confident	68 Å²	68	50.4 Å²	50.4	48%	0.476	28%	0.278	S	S	.	.			trans	-66.7	159.2	167.2	73.7	0	0	0	0	111.2	V541 G542 L543	S539-V541 PolarHBondContact O-N 2.62Å; S539-V541 VanDerWaalsContact O-N 3.1Å; S539-V541 PolarHBondContact OG-N 2.84Å; S539-G542 PolarHBondContact O-N 3.15Å; S539-G542 PolarHBondContact OG-N 3.21Å; S539-L543 PolarHBondContact O-N 3.01Å
540	A	81.6	Confident	84.1	Confident	22 Å²	22	46.4 Å²	46.4	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-32.5	175.5	0	0	0	0	0	111.5	L543 T544 T583 V586	A540-L543 PolarHBondContact O-N 3.38Å; A540-T544 WeakPolarHBondContact O-CB 3.5Å; A540-T544 VanDerWaalsContact O-CG2 3.31Å; A540-T544 WeakPolarHBondContact O-CG2 3.3Å; A540-T544 PolarHBondContact O-N 3.38Å; A540-T544 PolarHBondContact O-OG1 2.9Å; A540-T583 HydrophobicContact CB-CG2 4.02Å; A540-V586 HydrophobicContact CB-CG2 4.35Å
541	V	80.1	Confident	83.9	Confident	71 Å²	71	51.5 Å²	51.5	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-67.6	-37	177.7	-178	0	0	0	0	111.8	S539 Y546	S539-V541 PolarHBondContact O-N 2.62Å; S539-V541 VanDerWaalsContact O-N 3.1Å; S539-V541 PolarHBondContact OG-N 2.84Å; V541-Y546 HydrophobicContact CG1-CG 4.24Å
542	G	82.6	Confident	83.3	Confident	35 Å²	35	53.6 Å²	53.6	36%	0.361	31%	0.307	S	S	.	.	H	α-helix	trans	-78.1	-27.8	175.9	0	0	0	0	0	114.2	S539 G561 A562	S539-G542 PolarHBondContact O-N 3.15Å; S539-G542 PolarHBondContact OG-N 3.21Å; G542-G561 CarbonylContact O-C 3.56Å; G542-G561 WeakPolarHBondContact O-CA 3.46Å; G542-A562 PolarHBondContact O-N 2.91Å
543	L	84.4	Confident	82.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-76.8	-39.5	174	-67.7	175	0	0	0	112.7	T533 S539 A540 G561 A562 L563 M579	T533-L543 HydrophobicContact CG2-CD2 4.33Å; S539-L543 PolarHBondContact O-N 3.01Å; A540-L543 PolarHBondContact O-N 3.38Å; L543-G561 CarbonylContact O-C 3.57Å; L543-A562 HydrophobicContact CD2-CB 4.45Å; L543-A562 PolarHBondContact O-N 3.37Å; L543-L563 HydrophobicContact CB-CD1 4.01Å; L543-L563 HydrophobicContact CB-CG 4.36Å; L543-L563 VanDerWaalsContact O-CB 3.3Å; L543-L563 WeakPolarHBondContact O-CB 3.26Å; L543-L563 PolarHBondContact O-N 3.16Å; L543-M579 HydrophobicContact CD1-CE 3.68Å
544	T	85.5	Confident	82	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.031	35%	0.347	C	S	.	.	S	Bend	trans	-85.6	-101.5	-171.8	53.6	0	0	0	0	113.3	A540 G561 V586 L596	A540-T544 WeakPolarHBondContact O-CB 3.5Å; A540-T544 VanDerWaalsContact O-CG2 3.31Å; A540-T544 WeakPolarHBondContact O-CG2 3.3Å; A540-T544 PolarHBondContact O-N 3.38Å; A540-T544 PolarHBondContact O-OG1 2.9Å; T544-G561 WeakPolarHBondContact O-CA 3.32Å; T544-G561 PolarHBondContact O-N 3.16Å; T544-V586 HydrophobicContact CG2-CB 4.06Å; T544-V586 HydrophobicContact CG2-CG1 3.27Å; T544-V586 HydrophobicContact CG2-CG2 3.58Å; T544-L596 HydrophobicContact CG2-CD1 3.66Å; T544-L596 HydrophobicContact CG2-CD2 4.04Å; T544-L596 HydrophobicContact CG2-CG 4.48Å
545	A	82.6	Confident	81.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	152.9	170.1	0	0	0	0	0	107.5	L558 Q559 I598 L607	A545-L558 HydrophobicContact CB-CD1 3.8Å; A545-L558 HydrophobicContact CB-CD2 4.49Å; A545-L558 HydrophobicContact CB-CG 4.07Å; A545-Q559 CarbonylContact C-O 3.58Å; A545-Q559 WeakPolarHBondContact CA-O 3.48Å; A545-Q559 VanDerWaalsContact CB-O 3.23Å; A545-Q559 WeakPolarHBondContact CB-O 3.22Å; A545-I598 HydrophobicContact CB-CD1 3.65Å; A545-L607 HydrophobicContact CB-CD1 3.98Å
546	Y	85.2	Confident	81.5	Confident	82 Å²	82	70.9 Å²	70.9	32%	0.322	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.8	-170.4	71.7	-70.9	0	0	0	111.6	V541 M548 Q559	V541-Y546 HydrophobicContact CG1-CG 4.24Å; Y546-M548 HydrophobicContact CD2-CG 3.65Å; Y546-M548 HydrophobicContact CD2-SD 4.37Å; Y546-M548 HydrophobicContact CE2-CE 3.79Å; Y546-M548 HydrophobicContact CE2-CG 3.48Å; Y546-M548 VanDerWaalsContact CE2-CG 3.48Å; Y546-M548 HydrophobicContact CE2-SD 3.67Å; Y546-Q559 HydrophobicContact CD1-CB 3.94Å; Y546-Q559 WeakPolarHBondContact CD1-O 3.33Å; Y546-Q559 HydrophobicContact CE1-CB 3.61Å; Y546-Q559 PolarHBondContact N-O 3.23Å; Y546-Q559 PolarHBondContact O-N 3.37Å; Y546-Q559 PolarHBondContact OH-OE1 3.23Å; Y546-Q559 VanDerWaalsContact OH-OE1 3.1Å
547	V	85.3	Confident	81.5	Confident	41 Å²	41	67.1 Å²	67.1	25%	0.248	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.1	-177.8	-176.1	0	0	0	0	108.5	L556 V557 L558 K600 A601 I603	V547-L556 HydrophobicContact CG1-CB 3.83Å; V547-L556 HydrophobicContact CG1-CD1 4.46Å; V547-L556 HydrophobicContact CG1-CD2 4.23Å; V547-L556 HydrophobicContact CG1-CG 4.39Å; V547-V557 WeakPolarHBondContact CA-O 3.44Å; V547-L558 HydrophobicContact CG2-CD1 3.88Å; V547-K600 HydrophobicContact CG2-CB 4.32Å; V547-A601 HydrophobicContact CG1-CB 4.28Å; V547-I603 HydrophobicContact CG1-CD1 4.37Å; V547-I603 HydrophobicContact CG2-CD1 4.32Å
548	M	85.1	Confident	81.6	Confident	77 Å²	77	66.4 Å²	66.4	38%	0.379	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	155.3	172	-74.3	-140.5	-73	0	0	110.8	Y546 L556 V557 Q559	Y546-M548 HydrophobicContact CD2-CG 3.65Å; Y546-M548 HydrophobicContact CD2-SD 4.37Å; Y546-M548 HydrophobicContact CE2-CE 3.79Å; Y546-M548 HydrophobicContact CE2-CG 3.48Å; Y546-M548 VanDerWaalsContact CE2-CG 3.48Å; Y546-M548 HydrophobicContact CE2-SD 3.67Å; M548-L556 CarbonylContact O-C 3.58Å; M548-L556 WeakPolarHBondContact O-CA 3.33Å; M548-V557 PolarHBondContact N-O 3.17Å; M548-V557 WeakPolarHBondContact O-CG2 3.44Å; M548-V557 PolarHBondContact O-N 3.27Å; M548-Q559 VanDerWaalsContact CE-OE1 3.22Å
549	K	84.3	Confident	81.8	Confident	145 Å²	145	68.6 Å²	68.6	63%	0.63	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.4	169.3	-167.9	173.4	-172.1	171.5	0	108.7	R554 Q555 L556	K549-R554 WeakPolarHBondContact CE-O 3.47Å; K549-Q555 WeakPolarHBondContact CA-O 3.18Å; K549-L556 HydrophobicContact CB-CD2 4.01Å; K549-L556 HydrophobicContact CG-CD2 4.33Å
550	D	78.1	Confident	81.8	Confident	21 Å²	21	68.3 Å²	68.3	11%	0.112	35%	0.354	C	S	.	.			trans	-68.6	129	177.4	167.4	67.5	0	0	0	109.8	R291 E552 T553 R554 Q555 V557	R291-D550 IonicContact NH1-OD1 3.98Å; R291-D550 PolarHBondContact NH1-OD1 3.06Å; R291-D550 VanDerWaalsContact NH1-OD1 3.15Å; D550-E552 VanDerWaalsContact C-N 3.27Å; D550-E552 PolarHBondContact O-N 3.38Å; D550-E552 PolarHBondContact OD2-N 3.01Å; D550-T553 WeakPolarHBondContact OD2-CB 3.48Å; D550-T553 WeakPolarHBondContact OD2-CG2 3.38Å; D550-T553 PolarHBondContact OD2-N 2.9Å; D550-T553 PolarHBondContact OD2-OG1 3.22Å; D550-R554 WeakPolarHBondContact O-CA 3.38Å; D550-R554 PolarHBondContact O-N 2.63Å; D550-Q555 PolarHBondContact N-O 2.79Å; D550-V557 HydrophobicContact CB-CG1 4.16Å; D550-V557 HydrophobicContact CB-CG2 3.97Å
551	P	80.3	Confident	82	Confident	108 Å²	108	67.5 Å²	67.5	70%	0.701	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.7	-175.3	26.7	-35.8	0	0	0	114
552	E	75.8	Confident	82.2	Confident	101 Å²	101	64.8 Å²	64.8	47%	0.472	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-52.3	-173.8	-66.6	161.7	-155	0	0	110.6	R291 M351 K353 D550	R291-E552 IonicContact CZ-OE1 2.73Å; R291-E552 IonicContact CZ-OE2 2.71Å; R291-E552 IonicContact NH1-OE1 2.88Å; R291-E552 IonicContact NH2-OE1 3.78Å; R291-E552 PolarHBondContact NH2-OE1 2.89Å; R291-E552 IonicContact NH2-OE2 3.35Å; R291-E552 PolarHBondContact NH2-OE2 2.91Å; M351-E552 WeakPolarHBondContact CE-OE2 3.46Å; K353-E552 IonicContact NZ-OE1 3.95Å; K353-E552 PolarHBondContact NZ-OE1 2.84Å; D550-E552 VanDerWaalsContact C-N 3.27Å; D550-E552 PolarHBondContact O-N 3.38Å; D550-E552 PolarHBondContact OD2-N 3.01Å
553	T	75.9	Confident	82.5	Confident	78 Å²	78	63.1 Å²	63.1	48%	0.479	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-21.5	175.4	60.5	0	0	0	0	113.9	D550 Q555	D550-T553 WeakPolarHBondContact OD2-CB 3.48Å; D550-T553 WeakPolarHBondContact OD2-CG2 3.38Å; D550-T553 PolarHBondContact OD2-N 2.9Å; D550-T553 PolarHBondContact OD2-OG1 3.22Å; T553-Q555 PolarHBondContact O-N 3.2Å; T553-Q555 PolarHBondContact OG1-N 3.02Å
554	R	80.1	Confident	82.6	Confident	196 Å²	196	64 Å²	64	74%	0.74	32%	0.321	S	S	*	.			trans	61.4	8.6	-168.1	-56.7	179.4	173.1	-172.6	-2.8	115	K549 D550	K549-R554 WeakPolarHBondContact CE-O 3.47Å; D550-R554 WeakPolarHBondContact O-CA 3.38Å; D550-R554 PolarHBondContact O-N 2.63Å
555	Q	79.6	Confident	82.6	Confident	130 Å²	130	66.6 Å²	66.6	61%	0.607	34%	0.335	S	S	*	.	S	Bend	trans	-83.7	161.8	178.6	-64	-177.2	3.3	0	0	111.5	K549 D550 T553	K549-Q555 WeakPolarHBondContact CA-O 3.18Å; D550-Q555 PolarHBondContact N-O 2.79Å; T553-Q555 PolarHBondContact O-N 3.2Å; T553-Q555 PolarHBondContact OG1-N 3.02Å
556	L	82.4	Confident	82.7	Confident	93 Å²	93	66.6 Å²	66.6	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.4	169.9	-65.9	-179.2	0	0	0	108.7	V547 M548 K549 A601	V547-L556 HydrophobicContact CG1-CB 3.83Å; V547-L556 HydrophobicContact CG1-CD1 4.46Å; V547-L556 HydrophobicContact CG1-CD2 4.23Å; V547-L556 HydrophobicContact CG1-CG 4.39Å; M548-L556 CarbonylContact O-C 3.58Å; M548-L556 WeakPolarHBondContact O-CA 3.33Å; K549-L556 HydrophobicContact CB-CD2 4.01Å; K549-L556 HydrophobicContact CG-CD2 4.33Å; L556-A601 HydrophobicContact CD1-CB 4.1Å
557	V	82.4	Confident	82.8	Confident	48 Å²	48	63.4 Å²	63.4	29%	0.291	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.1	178.4	-63	0	0	0	0	109.9	V547 M548 D550	V547-V557 WeakPolarHBondContact CA-O 3.44Å; M548-V557 PolarHBondContact N-O 3.17Å; M548-V557 WeakPolarHBondContact O-CG2 3.44Å; M548-V557 PolarHBondContact O-N 3.27Å; D550-V557 HydrophobicContact CB-CG1 4.16Å; D550-V557 HydrophobicContact CB-CG2 3.97Å
558	L	82.5	Confident	82.7	Confident	53 Å²	53	64 Å²	64	28%	0.277	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.8	172.3	-173.6	66.3	0	0	0	108.7	A545 V547 I603 L607	A545-L558 HydrophobicContact CB-CD1 3.8Å; A545-L558 HydrophobicContact CB-CD2 4.49Å; A545-L558 HydrophobicContact CB-CG 4.07Å; V547-L558 HydrophobicContact CG2-CD1 3.88Å; L558-I603 HydrophobicContact CB-CD1 4.43Å; L558-L607 HydrophobicContact CD2-CD1 4.11Å; L558-L607 HydrophobicContact CD2-CD2 4.46Å
559	Q	82.3	Confident	82.8	Confident	66 Å²	66	60.6 Å²	60.6	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.5	172.8	-66.5	-165.2	-2.2	0	0	110.2	A545 Y546 M548	A545-Q559 CarbonylContact C-O 3.58Å; A545-Q559 WeakPolarHBondContact CA-O 3.48Å; A545-Q559 VanDerWaalsContact CB-O 3.23Å; A545-Q559 WeakPolarHBondContact CB-O 3.22Å; Y546-Q559 HydrophobicContact CD1-CB 3.94Å; Y546-Q559 WeakPolarHBondContact CD1-O 3.33Å; Y546-Q559 HydrophobicContact CE1-CB 3.61Å; Y546-Q559 PolarHBondContact N-O 3.23Å; Y546-Q559 PolarHBondContact O-N 3.37Å; Y546-Q559 PolarHBondContact OH-OE1 3.23Å; Y546-Q559 VanDerWaalsContact OH-OE1 3.1Å; M548-Q559 VanDerWaalsContact CE-OE1 3.22Å
560	T	81.6	Confident	83.2	Confident	62 Å²	62	54 Å²	54	38%	0.38	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.5	-177.9	42.8	0	0	0	0	111.7	V564 L565	T560-V564 HydrophobicContact CG2-CB 3.9Å; T560-V564 HydrophobicContact CG2-CG1 3.5Å; T560-L565 WeakPolarHBondContact OG1-CD2 3.18Å
561	G	85.5	Confident	83.9	Confident	4 Å²	4	53 Å²	53	4%	0.041	28%	0.276	C	S	.	.			trans	-89	-178.9	170.4	0	0	0	0	0	112.1	G542 L543 T544 L563 V564 L565	G542-G561 CarbonylContact O-C 3.56Å; G542-G561 WeakPolarHBondContact O-CA 3.46Å; L543-G561 CarbonylContact O-C 3.57Å; T544-G561 WeakPolarHBondContact O-CA 3.32Å; T544-G561 PolarHBondContact O-N 3.16Å; G561-L563 VanDerWaalsContact C-N 3.29Å; G561-L563 PolarHBondContact O-N 2.97Å; G561-V564 PolarHBondContact O-N 3.18Å; G561-L565 WeakPolarHBondContact O-CG 3.43Å; G561-L565 PolarHBondContact O-N 3.48Å
562	A	85.6	Confident	84.6	Confident	14 Å²	14	47.8 Å²	47.8	12%	0.116	24%	0.242	C	C	.	.	H	α-helix	trans	-55.7	-37.3	-170.9	0	0	0	0	0	114.4	T533 G542 L543 V564 S566	T533-A562 HydrophobicContact CG2-CB 3.76Å; G542-A562 PolarHBondContact O-N 2.91Å; L543-A562 HydrophobicContact CD2-CB 4.45Å; L543-A562 PolarHBondContact O-N 3.37Å; A562-V564 VanDerWaalsContact C-N 3.34Å; A562-V564 PolarHBondContact O-N 2.89Å; A562-S566 PolarHBondContact O-N 3.13Å; A562-S566 PolarHBondContact O-OG 3.46Å
563	L	87.9	Confident	85.4	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-74.8	-19.4	179.7	-64.3	170.3	0	0	0	113.5	L543 G561 C571 V586 L587 V590 T611	L543-L563 HydrophobicContact CB-CD1 4.01Å; L543-L563 HydrophobicContact CB-CG 4.36Å; L543-L563 VanDerWaalsContact O-CB 3.3Å; L543-L563 WeakPolarHBondContact O-CB 3.26Å; L543-L563 PolarHBondContact O-N 3.16Å; G561-L563 VanDerWaalsContact C-N 3.29Å; G561-L563 PolarHBondContact O-N 2.97Å; L563-C571 HydrophobicContact CD2-CB 4.04Å; L563-V586 HydrophobicContact CD1-CG1 4.26Å; L563-L587 HydrophobicContact CD1-CD2 3.89Å; L563-L587 HydrophobicContact CD2-CD2 4.44Å; L563-V590 HydrophobicContact CD1-CG2 4.36Å; L563-T611 WeakPolarHBondContact O-CG2 3.2Å
564	V	87.3	Confident	86.2	Confident	20 Å²	20	40.3 Å²	40.3	12%	0.121	20%	0.202	C	C	.	.	H	α-helix	trans	-94.1	-32	176	-173.3	0	0	0	0	110.6	T560 G561 A562 S566 D567 L596 L607	T560-V564 HydrophobicContact CG2-CB 3.9Å; T560-V564 HydrophobicContact CG2-CG1 3.5Å; G561-V564 PolarHBondContact O-N 3.18Å; A562-V564 VanDerWaalsContact C-N 3.34Å; A562-V564 PolarHBondContact O-N 2.89Å; V564-S566 VanDerWaalsContact C-N 3.29Å; V564-S566 PolarHBondContact O-N 3.05Å; V564-D567 PolarHBondContact O-N 3.38Å; V564-L596 HydrophobicContact CG2-CD2 3.86Å; V564-L607 HydrophobicContact CG1-CD1 4.31Å; V564-L607 HydrophobicContact CG2-CB 4.49Å; V564-L607 HydrophobicContact CG2-CD1 4.01Å
565	L	84.6	Confident	86.7	Confident	60 Å²	60	33 Å²	33	31%	0.314	18%	0.177	S	C	.	.	H	α-helix	trans	-63.6	-34.4	172.4	-68.9	169.8	0	0	0	112.4	Q531 T560 G561 D567	Q531-L565 HydrophobicContact CG-CB 4.44Å; T560-L565 WeakPolarHBondContact OG1-CD2 3.18Å; G561-L565 WeakPolarHBondContact O-CG 3.43Å; G561-L565 PolarHBondContact O-N 3.48Å; L565-D567 VanDerWaalsContact C-N 3.31Å; L565-D567 PolarHBondContact O-N 3.25Å
566	S	86.2	Confident	87.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	15.5	179.9	47.7	0	0	0	0	115.2	R529 A562 V564 N568 G569 T611	R529-S566 WeakPolarHBondContact O-CA 3.09Å; R529-S566 WeakPolarHBondContact O-CB 3.39Å; A562-S566 PolarHBondContact O-N 3.13Å; A562-S566 PolarHBondContact O-OG 3.46Å; V564-S566 VanDerWaalsContact C-N 3.29Å; V564-S566 PolarHBondContact O-N 3.05Å; S566-N568 PolarHBondContact O-N 3.09Å; S566-G569 WeakPolarHBondContact O-CA 3.48Å; S566-G569 PolarHBondContact O-N 2.86Å; S566-T611 VanDerWaalsContact C-CG2 3.5Å; S566-T611 WeakPolarHBondContact O-CG2 3.42Å
567	D	86	Confident	87.5	Confident	15 Å²	15	24.4 Å²	24.4	8%	0.08	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	126.2	177.7	-166.9	74.3	0	0	0	111.8	R529 V564 L565 G569 N608 R610	R529-D567 PolarHBondContact NE-O 2.95Å; V564-D567 PolarHBondContact O-N 3.38Å; L565-D567 VanDerWaalsContact C-N 3.31Å; L565-D567 PolarHBondContact O-N 3.25Å; D567-G569 VanDerWaalsContact C-N 3.31Å; D567-N608 PolarHBondContact OD1-ND2 3.45Å; D567-N608 PolarHBondContact OD2-ND2 2.68Å; D567-R610 WeakPolarHBondContact OD1-CB 3.33Å; D567-R610 PolarHBondContact OD1-N 2.77Å
568	N	82.8	Confident	87.8	Confident	53 Å²	53	25.7 Å²	25.7	28%	0.283	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	9.3	-170.6	-40.7	-88.1	0	0	0	116.5	L432 R489 S566 R610	L432-N568 HydrophobicContact CD1-CB 3.57Å; R489-N568 PolarHBondContact NH1-OD1 3.49Å; R489-N568 PolarHBondContact NH2-OD1 2.8Å; S566-N568 PolarHBondContact O-N 3.09Å; N568-R610 VanDerWaalsContact CA-O 3.3Å; N568-R610 WeakPolarHBondContact CA-O 3.46Å; N568-R610 PolarHBondContact N-O 2.79Å
569	G	87.8	Confident	88	Confident	6 Å²	6	23.4 Å²	23.4	6%	0.062	13%	0.125	C	C	.	.	S	Bend	trans	-115.5	-161.2	175.7	0	0	0	0	0	114.2	S566 D567 S612	S566-G569 WeakPolarHBondContact O-CA 3.48Å; S566-G569 PolarHBondContact O-N 2.86Å; D567-G569 VanDerWaalsContact C-N 3.31Å; G569-S612 PolarHBondContact O-N 3.33Å; G569-S612 VanDerWaalsContact O-N 3.13Å; G569-S612 PolarHBondContact O-OG 3.3Å
570	I	92.1	Very high	88.3	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.1	174.3	-67.4	176.5	0	0	0	110.1	Q483 L484 V523 V527 G530 Q531 S612 L614	Q483-I570 HydrophobicContact CG-CD1 4.11Å; L484-I570 HydrophobicContact CD2-CD1 3.9Å; V523-I570 HydrophobicContact CG1-CD1 3.74Å; V523-I570 HydrophobicContact CG1-CG2 4.16Å; V527-I570 HydrophobicContact CG1-CB 4.22Å; V527-I570 HydrophobicContact CG1-CG1 4.46Å; V527-I570 HydrophobicContact CG2-CD1 4.07Å; G530-I570 WeakPolarHBondContact CA-O 3.27Å; Q531-I570 PolarHBondContact N-O 3.28Å; I570-S612 WeakPolarHBondContact CA-O 3.26Å; I570-S612 WeakPolarHBondContact CG1-OG 3.33Å; I570-L614 HydrophobicContact CG2-CB 3.72Å; I570-L614 HydrophobicContact CG2-CD2 4.41Å
571	C	92.9	Very high	88.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.1	165	-172.4	0	0	0	0	109.4	L563 S612 L614	L563-C571 HydrophobicContact CD2-CB 4.04Å; C571-S612 PolarHBondContact N-O 2.71Å; C571-L614 PolarHBondContact O-N 3.01Å
572	C	94.7	Very high	88.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	174	-66.7	0	0	0	0	110	L520 Q531 Y532 T533 L614	L520-C572 HydrophobicContact CB-CB 4.31Å; L520-C572 HydrophobicContact CD2-CB 4.36Å; L520-C572 PolarHBondContact O-SG 3.46Å; L520-C572 VanDerWaalsContact O-SG 3.35Å; Q531-C572 PolarHBondContact O-N 3.3Å; Y532-C572 HydrophobicContact CD2-CB 3.96Å; T533-C572 PolarHBondContact N-O 3.12Å; T533-C572 PolarHBondContact OG1-O 3.45Å; C572-L614 WeakPolarHBondContact CA-O 3.3Å
573	I	93.6	Very high	88.5	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.5	178.9	-45.9	-178.9	0	0	0	109.7	T533 F576 M579 L587 V613 L614 A615 A616	T533-I573 WeakPolarHBondContact O-CA 3.39Å; I573-F576 HydrophobicContact CB-CD2 4.32Å; I573-F576 HydrophobicContact CD1-CD2 4.46Å; I573-F576 HydrophobicContact CD1-CE2 4.4Å; I573-F576 HydrophobicContact CG2-CD2 4.02Å; I573-M579 HydrophobicContact CG2-SD 3.85Å; I573-L587 HydrophobicContact CD1-CD1 4.5Å; I573-L587 HydrophobicContact CD1-CD2 4.35Å; I573-V613 HydrophobicContact CD1-CG1 3.94Å; I573-V613 HydrophobicContact CG1-CG1 4.44Å; I573-L614 PolarHBondContact N-O 3.07Å; I573-A615 CarbonylContact O-C 3.5Å; I573-A615 WeakPolarHBondContact O-CA 3.45Å; I573-A616 PolarHBondContact O-N 3.2Å
574	D	93	Very high	88.3	Confident	20 Å²	20	32.2 Å²	32.2	11%	0.107	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	160.9	171.1	-160	-0.2	0	0	0	111.4	S517 L520 Y532 T533 S534 G535 F576	S517-D574 VanDerWaalsContact CB-OD2 3.25Å; S517-D574 WeakPolarHBondContact CB-OD2 2.85Å; S517-D574 PolarHBondContact OG-OD2 2.8Å; L520-D574 HydrophobicContact CD1-CB 3.8Å; Y532-D574 PolarHBondContact OH-OD2 3.01Å; T533-D574 PolarHBondContact O-N 2.93Å; S534-D574 CarbonylContact C-O 3.6Å; G535-D574 PolarHBondContact N-O 2.97Å; D574-F576 VanDerWaalsContact C-N 3.28Å; D574-F576 PolarHBondContact O-N 3.29Å
575	E	90.6	Very high	88.3	Confident	44 Å²	44	34.5 Å²	34.5	21%	0.206	19%	0.186	C	C	.	.			trans	52.1	39.4	-174.3	-64.4	-151	119.4	0	0	114.1	K536 D577 K578	K536-E575 WeakPolarHBondContact CD-OE2 3.09Å; K536-E575 WeakPolarHBondContact CE-OE2 3.32Å; K536-E575 WeakPolarHBondContact CG-OE2 3.27Å; K536-E575 VanDerWaalsContact NZ-CD 3.26Å; K536-E575 IonicContact NZ-OE1 3.07Å; K536-E575 PolarHBondContact NZ-OE1 3.2Å; K536-E575 IonicContact NZ-OE2 3.78Å; K536-E575 PolarHBondContact NZ-OE2 3.09Å; E575-D577 PolarHBondContact O-N 3.01Å; E575-D577 VanDerWaalsContact O-N 3.14Å; E575-K578 HydrophobicContact CB-CD 3.8Å; E575-K578 HydrophobicContact CG-CD 4.02Å; E575-K578 PolarHBondContact O-N 3.22Å; E575-K578 VanDerWaalsContact OE1-CD 3.25Å; E575-K578 WeakPolarHBondContact OE1-CD 3.43Å; E575-K578 VanDerWaalsContact OE1-CE 3.24Å; E575-K578 WeakPolarHBondContact OE1-CE 3.33Å; E575-K578 IonicContact OE1-NZ 3.15Å; E575-K578 PolarHBondContact OE1-NZ 3.23Å
576	F	90.4	Very high	88.4	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.7	-179.2	-167.7	-92.1	0	0	0	113.1	I573 D574 K578 M579 L587 A615 A616 A617 L636 L640 F644	I573-F576 HydrophobicContact CB-CD2 4.32Å; I573-F576 HydrophobicContact CD1-CD2 4.46Å; I573-F576 HydrophobicContact CD1-CE2 4.4Å; I573-F576 HydrophobicContact CG2-CD2 4.02Å; D574-F576 VanDerWaalsContact C-N 3.28Å; D574-F576 PolarHBondContact O-N 3.29Å; F576-K578 VanDerWaalsContact C-N 3.3Å; F576-K578 PolarHBondContact O-N 2.93Å; F576-M579 HydrophobicContact CD2-SD 3.63Å; F576-M579 HydrophobicContact CE2-SD 3.98Å; F576-M579 HydrophobicContact CG-SD 4.2Å; F576-M579 WeakPolarHBondContact O-CB 3.44Å; F576-M579 PolarHBondContact O-N 3.1Å; F576-L587 HydrophobicContact CE2-CD1 3.61Å; F576-L587 HydrophobicContact CZ-CD1 3.98Å; F576-A615 HydrophobicContact CB-CB 4.32Å; F576-A615 HydrophobicContact CD2-CB 3.65Å; F576-A615 HydrophobicContact CE2-CB 4.09Å; F576-A615 HydrophobicContact CG-CB 4.03Å; F576-A616 WeakPolarHBondContact CB-O 3.18Å; F576-A616 PolarHBondContact N-O 2.82Å; F576-A617 HydrophobicContact CB-CB 4.38Å; F576-L636 HydrophobicContact CD1-CD1 4.03Å; F576-L636 HydrophobicContact CD1-CD2 4.49Å; F576-L636 HydrophobicContact CE1-CD1 3.92Å; F576-L636 HydrophobicContact CE1-CD2 4.38Å; F576-L640 HydrophobicContact CE1-CD2 3.73Å; F576-L640 HydrophobicContact CE1-CG 4.42Å; F576-L640 HydrophobicContact CZ-CD1 4.49Å; F576-L640 HydrophobicContact CZ-CD2 3.91Å; F576-L640 HydrophobicContact CZ-CG 4.39Å; F576-F644 HydrophobicContact CE1-CE2 4.34Å; F576-F644 HydrophobicContact CE1-CZ 4.24Å; F576-F644 HydrophobicContact CE2-CZ 4.24Å; F576-F644 HydrophobicContact CZ-CE2 4.19Å; F576-F644 AromaticContact CZ-CZ 3.81Å; F576-F644 HydrophobicContact CZ-CZ 3.81Å
577	D	88.3	Confident	88.4	Confident	42 Å²	42	32.6 Å²	32.6	23%	0.225	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.4	-37.6	174.3	59.4	-69.7	0	0	0	112.7	E575 M579 R584 N618	E575-D577 PolarHBondContact O-N 3.01Å; E575-D577 VanDerWaalsContact O-N 3.14Å; D577-M579 VanDerWaalsContact C-N 3.34Å; D577-M579 PolarHBondContact O-N 2.93Å; D577-R584 PolarHBondContact O-NH2 3.1Å; D577-N618 PolarHBondContact OD1-ND2 2.96Å
578	K	87.6	Confident	88.5	Confident	75 Å²	75	34 Å²	34	33%	0.326	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-88.3	6.9	-176	-65.2	120.2	178.8	165.9	0	114.6	K536 E575 F576	K536-K578 HydrophobicContact CD-CB 4.41Å; K536-K578 HydrophobicContact CG-CB 3.7Å; K536-K578 HydrophobicContact CG-CG 4.46Å; E575-K578 HydrophobicContact CB-CD 3.8Å; E575-K578 HydrophobicContact CG-CD 4.02Å; E575-K578 PolarHBondContact O-N 3.22Å; E575-K578 VanDerWaalsContact OE1-CD 3.25Å; E575-K578 WeakPolarHBondContact OE1-CD 3.43Å; E575-K578 VanDerWaalsContact OE1-CE 3.24Å; E575-K578 WeakPolarHBondContact OE1-CE 3.33Å; E575-K578 IonicContact OE1-NZ 3.15Å; E575-K578 PolarHBondContact OE1-NZ 3.23Å; F576-K578 VanDerWaalsContact C-N 3.3Å; F576-K578 PolarHBondContact O-N 2.93Å
579	M	88.3	Confident	88.8	Confident	4 Å²	4	33.5 Å²	33.5	2%	0.02	18%	0.179	C	C	.	.			trans	-68.4	132	177.2	-73.6	-172.6	70.4	0	0	112.4	L543 I573 F576 D577 T583 R584 L587	L543-M579 HydrophobicContact CD1-CE 3.68Å; I573-M579 HydrophobicContact CG2-SD 3.85Å; F576-M579 HydrophobicContact CD2-SD 3.63Å; F576-M579 HydrophobicContact CE2-SD 3.98Å; F576-M579 HydrophobicContact CG-SD 4.2Å; F576-M579 WeakPolarHBondContact O-CB 3.44Å; F576-M579 PolarHBondContact O-N 3.1Å; D577-M579 VanDerWaalsContact C-N 3.34Å; D577-M579 PolarHBondContact O-N 2.93Å; M579-T583 VanDerWaalsContact CE-OG1 3.23Å; M579-T583 WeakPolarHBondContact CE-OG1 3.48Å; M579-R584 HydrophobicContact CB-CG 4.27Å; M579-R584 PolarHBondContact O-NE 2.91Å; M579-R584 VanDerWaalsContact O-NE 3.11Å; M579-R584 PolarHBondContact O-NH2 2.83Å; M579-L587 HydrophobicContact CE-CD1 3.7Å; M579-L587 HydrophobicContact SD-CD1 4.2Å
580	N	88.3	Confident	88.9	Confident	115 Å²	115	33.3 Å²	33.3	62%	0.615	18%	0.176	S	C	*	.			trans	-64.7	146.1	175.2	-70.1	-21.8	0	0	0	111.4	S582 T583 R584	N580-S582 PolarHBondContact O-N 2.96Å; N580-S582 VanDerWaalsContact O-N 3.12Å; N580-T583 HydrophobicContact CB-CG2 4.27Å; N580-T583 WeakPolarHBondContact O-CA 3.49Å; N580-T583 WeakPolarHBondContact O-CB 3.39Å; N580-T583 PolarHBondContact O-N 2.96Å; N580-T583 PolarHBondContact O-OG1 3.14Å; N580-R584 PolarHBondContact O-N 3Å
581	E	86.1	Confident	88.7	Confident	102 Å²	102	33.2 Å²	33.2	48%	0.477	18%	0.176	S	C	.	.	H	α-helix	trans	-58.5	-33.3	-174.6	-159.6	60.3	-150.9	0	0	113.8	T583 R584 S585	E581-T583 PolarHBondContact O-N 3.27Å; E581-R584 PolarHBondContact O-N 3.43Å; E581-R584 VanDerWaalsContact O-N 3.09Å; E581-R584 WeakPolarHBondContact OE2-CD 3.47Å; E581-R584 IonicContact OE2-CZ 2.69Å; E581-R584 IonicContact OE2-NE 2.71Å; E581-R584 IonicContact OE2-NH1 3.7Å; E581-R584 PolarHBondContact OE2-NH1 3.19Å; E581-S585 PolarHBondContact O-N 3.11Å
582	S	84.3	Confident	88.2	Confident	77 Å²	77	36.4 Å²	36.4	54%	0.538	19%	0.191	S	C	.	.	H	α-helix	trans	-68.3	-11	174.2	56.8	0	0	0	0	115	N580 S585	N580-S582 PolarHBondContact O-N 2.96Å; N580-S582 VanDerWaalsContact O-N 3.12Å; S582-S585 PolarHBondContact O-OG 2.95Å
583	T	85.4	Confident	87.8	Confident	3 Å²	3	41.8 Å²	41.8	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-93.4	-31.8	169.3	70.9	0	0	0	0	111.3	A540 M579 N580 E581 V586 L587	A540-T583 HydrophobicContact CB-CG2 4.02Å; M579-T583 VanDerWaalsContact CE-OG1 3.23Å; M579-T583 WeakPolarHBondContact CE-OG1 3.48Å; N580-T583 HydrophobicContact CB-CG2 4.27Å; N580-T583 WeakPolarHBondContact O-CA 3.49Å; N580-T583 WeakPolarHBondContact O-CB 3.39Å; N580-T583 PolarHBondContact O-N 2.96Å; N580-T583 PolarHBondContact O-OG1 3.14Å; E581-T583 PolarHBondContact O-N 3.27Å; T583-V586 WeakPolarHBondContact O-CB 3.29Å; T583-V586 PolarHBondContact O-N 2.99Å; T583-L587 PolarHBondContact O-N 2.9Å
584	R	84.9	Confident	87.5	Confident	35 Å²	35	42.7 Å²	42.7	13%	0.132	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-34.1	176.4	-61.1	177.6	-176.5	159.9	-7.3	112	D577 M579 N580 E581 V586 L587 H588	D577-R584 PolarHBondContact O-NH2 3.1Å; M579-R584 HydrophobicContact CB-CG 4.27Å; M579-R584 PolarHBondContact O-NE 2.91Å; M579-R584 VanDerWaalsContact O-NE 3.11Å; M579-R584 PolarHBondContact O-NH2 2.83Å; N580-R584 PolarHBondContact O-N 3Å; E581-R584 PolarHBondContact O-N 3.43Å; E581-R584 VanDerWaalsContact O-N 3.09Å; E581-R584 WeakPolarHBondContact OE2-CD 3.47Å; E581-R584 IonicContact OE2-CZ 2.69Å; E581-R584 IonicContact OE2-NE 2.71Å; E581-R584 IonicContact OE2-NH1 3.7Å; E581-R584 PolarHBondContact OE2-NH1 3.19Å; R584-V586 VanDerWaalsContact C-N 3.27Å; R584-V586 PolarHBondContact O-N 2.77Å; R584-L587 PolarHBondContact O-N 2.77Å; R584-L587 VanDerWaalsContact O-N 3.16Å; R584-H588 PolarHBondContact O-N 2.92Å
585	S	85.9	Confident	87.2	Confident	68 Å²	68	43.1 Å²	43.1	48%	0.476	22%	0.223	S	C	.	.	H	α-helix	trans	-64.1	-27.9	174	61.8	0	0	0	0	113.7	E581 S582 H588	E581-S585 PolarHBondContact O-N 3.11Å; S582-S585 PolarHBondContact O-OG 2.95Å; S585-H588 WeakPolarHBondContact O-CB 3.08Å
586	V	87.5	Confident	87.1	Confident	20 Å²	20	41.2 Å²	41.2	12%	0.121	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-48.7	169.2	166	0	0	0	0	110.6	A540 T544 L563 T583 R584 H588 E589 V590 L596	A540-V586 HydrophobicContact CB-CG2 4.35Å; T544-V586 HydrophobicContact CG2-CB 4.06Å; T544-V586 HydrophobicContact CG2-CG1 3.27Å; T544-V586 HydrophobicContact CG2-CG2 3.58Å; L563-V586 HydrophobicContact CD1-CG1 4.26Å; T583-V586 WeakPolarHBondContact O-CB 3.29Å; T583-V586 PolarHBondContact O-N 2.99Å; R584-V586 VanDerWaalsContact C-N 3.27Å; R584-V586 PolarHBondContact O-N 2.77Å; V586-H588 PolarHBondContact O-N 2.83Å; V586-E589 WeakPolarHBondContact O-CB 2.79Å; V586-E589 PolarHBondContact O-N 2.88Å; V586-V590 HydrophobicContact CG1-CG2 4.27Å; V586-V590 PolarHBondContact O-N 2.96Å; V586-V590 VanDerWaalsContact O-N 3.15Å; V586-L596 HydrophobicContact CG1-CD1 4.25Å
587	L	87.3	Confident	87	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-28.7	-179.7	-65.9	174	0	0	0	112	L563 I573 F576 M579 T583 R584 E589 M591	L563-L587 HydrophobicContact CD1-CD2 3.89Å; L563-L587 HydrophobicContact CD2-CD2 4.44Å; I573-L587 HydrophobicContact CD1-CD1 4.5Å; I573-L587 HydrophobicContact CD1-CD2 4.35Å; F576-L587 HydrophobicContact CE2-CD1 3.61Å; F576-L587 HydrophobicContact CZ-CD1 3.98Å; M579-L587 HydrophobicContact CE-CD1 3.7Å; M579-L587 HydrophobicContact SD-CD1 4.2Å; T583-L587 PolarHBondContact O-N 2.9Å; R584-L587 PolarHBondContact O-N 2.77Å; R584-L587 VanDerWaalsContact O-N 3.16Å; L587-E589 VanDerWaalsContact C-N 3.28Å; L587-E589 PolarHBondContact O-N 2.81Å; L587-M591 HydrophobicContact CB-SD 4.29Å; L587-M591 WeakPolarHBondContact O-CB 3.35Å; L587-M591 VanDerWaalsContact O-CG 3.24Å; L587-M591 WeakPolarHBondContact O-CG 3.47Å; L587-M591 PolarHBondContact O-N 3.15Å
588	H	88	Confident	86.9	Confident	44 Å²	44	43.1 Å²	43.1	20%	0.204	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-31	170.7	-78.1	-3.5	0	0	0	114.6	R584 S585 V586 R643	R584-H588 PolarHBondContact O-N 2.92Å; S585-H588 WeakPolarHBondContact O-CB 3.08Å; V586-H588 PolarHBondContact O-N 2.83Å; H588-R643 VanDerWaalsContact CG-NH1 3.29Å; H588-R643 PolarHBondContact ND1-NH1 2.83Å; H588-R643 PolarHBondContact O-NH1 3.43Å; H588-R643 PolarHBondContact O-NH2 3.12Å
589	E	88.5	Confident	86.9	Confident	42 Å²	42	43.4 Å²	43.4	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-81.6	-55.9	176.1	-165.2	-173	179	0	0	109.7	V586 L587 M591 E592 Q593 S597	V586-E589 WeakPolarHBondContact O-CB 2.79Å; V586-E589 PolarHBondContact O-N 2.88Å; L587-E589 VanDerWaalsContact C-N 3.28Å; L587-E589 PolarHBondContact O-N 2.81Å; E589-M591 PolarHBondContact O-N 2.95Å; E589-E592 PolarHBondContact O-N 2.96Å; E589-Q593 PolarHBondContact O-N 3.38Å; E589-S597 VanDerWaalsContact OE1-CB 3.25Å; E589-S597 WeakPolarHBondContact OE1-CB 3.34Å; E589-S597 PolarHBondContact OE1-N 3.23Å; E589-S597 PolarHBondContact OE1-OG 3.28Å
590	V	89.3	Confident	86.7	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-47.4	-174.8	177.2	0	0	0	0	112	L563 V586 E592 Q594 L596 A609	L563-V590 HydrophobicContact CD1-CG2 4.36Å; V586-V590 HydrophobicContact CG1-CG2 4.27Å; V586-V590 PolarHBondContact O-N 2.96Å; V586-V590 VanDerWaalsContact O-N 3.15Å; V590-E592 VanDerWaalsContact C-N 3.26Å; V590-E592 PolarHBondContact O-N 3.35Å; V590-Q594 VanDerWaalsContact O-CA 3.28Å; V590-Q594 WeakPolarHBondContact O-CA 3.12Å; V590-Q594 PolarHBondContact O-N 3.21Å; V590-L596 HydrophobicContact CG2-CB 4.31Å; V590-L596 HydrophobicContact CG2-CD1 4.36Å; V590-A609 HydrophobicContact CG1-CB 3.88Å; V590-A609 HydrophobicContact CG2-CB 4.46Å
591	M	88.6	Confident	86.4	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-68.2	-22.6	-178.1	-65.8	178.5	76.8	0	0	113.4	R501 N505 L587 E589 V613 L640 R643 F644	R501-M591 WeakPolarHBondContact CD-O 3.48Å; R501-M591 PolarHBondContact NH1-O 3.22Å; N505-M591 HydrophobicContact CB-CE 3.95Å; L587-M591 HydrophobicContact CB-SD 4.29Å; L587-M591 WeakPolarHBondContact O-CB 3.35Å; L587-M591 VanDerWaalsContact O-CG 3.24Å; L587-M591 WeakPolarHBondContact O-CG 3.47Å; L587-M591 PolarHBondContact O-N 3.15Å; E589-M591 PolarHBondContact O-N 2.95Å; M591-V613 HydrophobicContact CG-CG2 4.15Å; M591-L640 HydrophobicContact SD-CD1 4.14Å; M591-R643 HydrophobicContact CB-CB 4.45Å; M591-R643 HydrophobicContact CE-CB 4.12Å; M591-F644 HydrophobicContact CE-CD1 3.8Å; M591-F644 HydrophobicContact CE-CD2 4.12Å; M591-F644 HydrophobicContact CE-CE1 3.62Å; M591-F644 HydrophobicContact CE-CE2 3.96Å; M591-F644 HydrophobicContact CE-CG 4.06Å; M591-F644 HydrophobicContact CE-CZ 3.71Å; M591-F644 HydrophobicContact SD-CZ 4.38Å
592	E	82.1	Confident	86.2	Confident	68 Å²	68	44.4 Å²	44.4	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-94.1	-45.1	-178.9	-163.9	76.3	174.1	0	0	112.3	E589 V590 R643 R732	E589-E592 PolarHBondContact O-N 2.96Å; V590-E592 VanDerWaalsContact C-N 3.26Å; V590-E592 PolarHBondContact O-N 3.35Å; E592-R643 WeakPolarHBondContact OE2-CG 3.45Å; E592-R643 IonicContact OE2-CZ 2.73Å; E592-R643 IonicContact OE2-NE 2.82Å; E592-R643 PolarHBondContact OE2-NE 3Å; E592-R643 IonicContact OE2-NH2 3.13Å; E592-R732 VanDerWaalsContact CD-NH2 3.27Å; E592-R732 IonicContact OE1-CZ 2.66Å; E592-R732 IonicContact OE1-NE 2.75Å; E592-R732 PolarHBondContact OE1-NE 2.8Å; E592-R732 IonicContact OE1-NH2 2.71Å; E592-R732 PolarHBondContact OE1-NH2 3.46Å; E592-R732 IonicContact OE2-CZ 3.99Å; E592-R732 VanDerWaalsContact OE2-CZ 3.3Å; E592-R732 IonicContact OE2-NE 2.82Å; E592-R732 PolarHBondContact OE2-NE 3.4Å; E592-R732 IonicContact OE2-NH2 3.07Å; E592-R732 PolarHBondContact OE2-NH2 3.28Å
593	Q	85.3	Confident	86.2	Confident	112 Å²	112	43 Å²	43	52%	0.523	27%	0.266	S	S	.	.	H	α-helix	trans	-107.3	-12.4	-168.2	-62.5	-179.3	-3.4	0	0	113.3	E589 T595	E589-Q593 PolarHBondContact O-N 3.38Å; Q593-T595 PolarHBondContact O-N 2.8Å; Q593-T595 VanDerWaalsContact O-N 3.15Å
594	Q	87.9	Confident	86.4	Confident	20 Å²	20	49.9 Å²	49.9	9%	0.093	30%	0.301	C	S	.	.	S	Bend	trans	53.5	26.8	-170.6	-58	-179	-64.9	0	0	113.4	R501 E503 V590 A609 R610	R501-Q594 HydrophobicContact CB-CG 4.39Å; R501-Q594 HydrophobicContact CG-CG 4.12Å; E503-Q594 PolarHBondContact OE1-NE2 3.38Å; E503-Q594 PolarHBondContact OE2-NE2 2.9Å; V590-Q594 VanDerWaalsContact O-CA 3.28Å; V590-Q594 WeakPolarHBondContact O-CA 3.12Å; V590-Q594 PolarHBondContact O-N 3.21Å; Q594-A609 CarbonylContact C-O 3.59Å; Q594-A609 WeakPolarHBondContact CA-O 3.4Å; Q594-A609 CarbonylContact O-C 3.53Å; Q594-A609 PolarHBondContact O-N 3.04Å; Q594-R610 HydrophobicContact CB-CG 4.24Å
595	T	87.8	Confident	86.5	Confident	29 Å²	29	50 Å²	50	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.9	174.8	63.2	0	0	0	0	110.9	Q593 Q606 L607	Q593-T595 PolarHBondContact O-N 2.8Å; Q593-T595 VanDerWaalsContact O-N 3.15Å; T595-Q606 HydrophobicContact CG2-CG 4.33Å; T595-Q606 PolarHBondContact OG1-NE2 2.99Å; T595-L607 CarbonylContact C-O 3.51Å; T595-L607 VanDerWaalsContact CA-O 3.23Å; T595-L607 WeakPolarHBondContact CA-O 3.41Å; T595-L607 WeakPolarHBondContact CB-O 3.41Å
596	L	88.3	Confident	86.5	Confident	4 Å²	4	53 Å²	53	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	109.2	-178.2	172.7	66.3	0	0	0	108.6	T544 V564 V586 V590 I598 L607	T544-L596 HydrophobicContact CG2-CD1 3.66Å; T544-L596 HydrophobicContact CG2-CD2 4.04Å; T544-L596 HydrophobicContact CG2-CG 4.48Å; V564-L596 HydrophobicContact CG2-CD2 3.86Å; V586-L596 HydrophobicContact CG1-CD1 4.25Å; V590-L596 HydrophobicContact CG2-CB 4.31Å; V590-L596 HydrophobicContact CG2-CD1 4.36Å; L596-I598 HydrophobicContact CD2-CD1 4.02Å; L596-I598 HydrophobicContact CD2-CG1 4.45Å; L596-I598 HydrophobicContact CG-CD1 4.15Å; L596-I598 HydrophobicContact CG-CG1 4.03Å; L596-L607 PolarHBondContact N-O 2.91Å; L596-L607 PolarHBondContact O-N 3.35Å
597	S	86.8	Confident	86.5	Confident	74 Å²	74	53.9 Å²	53.9	52%	0.517	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.1	176.7	59.8	0	0	0	0	111.3	E589	E589-S597 VanDerWaalsContact OE1-CB 3.25Å; E589-S597 WeakPolarHBondContact OE1-CB 3.34Å; E589-S597 PolarHBondContact OE1-N 3.23Å; E589-S597 PolarHBondContact OE1-OG 3.28Å
598	I	86.8	Confident	86.4	Confident	9 Å²	9	57.2 Å²	57.2	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	114.4	-177.9	-53	-177.4	0	0	0	109.2	A545 L596 K600 I604 C605 L607	A545-I598 HydrophobicContact CB-CD1 3.65Å; L596-I598 HydrophobicContact CD2-CD1 4.02Å; L596-I598 HydrophobicContact CD2-CG1 4.45Å; L596-I598 HydrophobicContact CG-CD1 4.15Å; L596-I598 HydrophobicContact CG-CG1 4.03Å; I598-K600 HydrophobicContact CG2-CB 4.08Å; I598-K600 HydrophobicContact CG2-CD 3.9Å; I598-K600 HydrophobicContact CG2-CG 3.88Å; I598-I604 CarbonylContact O-C 3.58Å; I598-I604 WeakPolarHBondContact O-CA 3.4Å; I598-C605 PolarHBondContact N-O 3.19Å; I598-C605 PolarHBondContact O-N 2.97Å; I598-L607 HydrophobicContact CD1-CD1 3.94Å
599	A	86.9	Confident	86.2	Confident	80 Å²	80	55.1 Å²	55.1	66%	0.661	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	91.7	167.3	0	0	0	0	0	108.9	I603 I604	A599-I603 CarbonylContact C-O 3.04Å; A599-I603 WeakPolarHBondContact CA-O 2.93Å; A599-I604 HydrophobicContact CB-CG1 4.22Å
600	K	85.6	Confident	86.1	Confident	92 Å²	92	57 Å²	57	40%	0.4	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	135.8	-177.2	-68.7	-179.7	-173.1	166.1	0	111.1	V547 I598 G602 I603	V547-K600 HydrophobicContact CG2-CB 4.32Å; I598-K600 HydrophobicContact CG2-CB 4.08Å; I598-K600 HydrophobicContact CG2-CD 3.9Å; I598-K600 HydrophobicContact CG2-CG 3.88Å; K600-G602 PolarHBondContact O-N 2.99Å; K600-G602 VanDerWaalsContact O-N 3.15Å; K600-I603 PolarHBondContact N-O 2.73Å; K600-I603 WeakPolarHBondContact O-CB 3.5Å; K600-I603 PolarHBondContact O-N 2.78Å
601	A	81.8	Confident	86.1	Confident	71 Å²	71	57.2 Å²	57.2	59%	0.587	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	36.7	173.5	0	0	0	0	0	115.1	V547 L556 I603	V547-A601 HydrophobicContact CG1-CB 4.28Å; L556-A601 HydrophobicContact CD1-CB 4.1Å; A601-I603 VanDerWaalsContact C-N 3.27Å; A601-I603 PolarHBondContact O-N 2.73Å
602	G	81.1	Confident	86.2	Confident	80 Å²	80	57.4 Å²	57.4	83%	0.825	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-12.3	-177.6	0	0	0	0	0	115	K600	K600-G602 PolarHBondContact O-N 2.99Å; K600-G602 VanDerWaalsContact O-N 3.15Å
603	I	83.9	Confident	86.8	Confident	48 Å²	48	54.2 Å²	54.2	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	117.6	172.5	-54.1	176.3	0	0	0	108.1	V547 L558 A599 K600 A601 C605	V547-I603 HydrophobicContact CG1-CD1 4.37Å; V547-I603 HydrophobicContact CG2-CD1 4.32Å; L558-I603 HydrophobicContact CB-CD1 4.43Å; A599-I603 CarbonylContact C-O 3.04Å; A599-I603 WeakPolarHBondContact CA-O 2.93Å; K600-I603 PolarHBondContact N-O 2.73Å; K600-I603 WeakPolarHBondContact O-CB 3.5Å; K600-I603 PolarHBondContact O-N 2.78Å; A601-I603 VanDerWaalsContact C-N 3.27Å; A601-I603 PolarHBondContact O-N 2.73Å; I603-C605 HydrophobicContact CG2-CB 4.36Å
604	I	89.8	Confident	87.2	Confident	147 Å²	147	48.9 Å²	48.9	75%	0.754	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	114	169	-56.6	177	0	0	0	106.9	I598 A599	I598-I604 CarbonylContact O-C 3.58Å; I598-I604 WeakPolarHBondContact O-CA 3.4Å; A599-I604 HydrophobicContact CB-CG1 4.22Å
605	C	86.9	Confident	87.5	Confident	37 Å²	37	47.9 Å²	47.9	25%	0.25	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	156.4	-178.5	62.6	0	0	0	0	111.2	I598 I603	I598-C605 PolarHBondContact N-O 3.19Å; I598-C605 PolarHBondContact O-N 2.97Å; I603-C605 HydrophobicContact CG2-CB 4.36Å
606	Q	87.1	Confident	87.7	Confident	131 Å²	131	46.5 Å²	46.5	61%	0.612	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.1	169.8	-175.1	177.5	9.6	0	0	107.2	T595	T595-Q606 HydrophobicContact CG2-CG 4.33Å; T595-Q606 PolarHBondContact OG1-NE2 2.99Å
607	L	86.8	Confident	87.9	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.199	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	146.6	176.1	-59.3	177.5	0	0	0	109.2	A545 L558 V564 T595 L596 I598	A545-L607 HydrophobicContact CB-CD1 3.98Å; L558-L607 HydrophobicContact CD2-CD1 4.11Å; L558-L607 HydrophobicContact CD2-CD2 4.46Å; V564-L607 HydrophobicContact CG1-CD1 4.31Å; V564-L607 HydrophobicContact CG2-CB 4.49Å; V564-L607 HydrophobicContact CG2-CD1 4.01Å; T595-L607 CarbonylContact C-O 3.51Å; T595-L607 VanDerWaalsContact CA-O 3.23Å; T595-L607 WeakPolarHBondContact CA-O 3.41Å; T595-L607 WeakPolarHBondContact CB-O 3.41Å; L596-L607 PolarHBondContact N-O 2.91Å; L596-L607 PolarHBondContact O-N 3.35Å; I598-L607 HydrophobicContact CD1-CD1 3.94Å
608	N	84.4	Confident	88.1	Confident	71 Å²	71	44.2 Å²	44.2	38%	0.38	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.6	161.2	55.2	-76.7	0	0	0	110.4	D567 R610	D567-N608 PolarHBondContact OD1-ND2 3.45Å; D567-N608 PolarHBondContact OD2-ND2 2.68Å; N608-R610 HydrophobicContact CB-CG 4.49Å
609	A	85.4	Confident	88.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.262	C	S	.	.			trans	-143.1	73.4	172.3	0	0	0	0	0	107	V590 Q594 T611	V590-A609 HydrophobicContact CG1-CB 3.88Å; V590-A609 HydrophobicContact CG2-CB 4.46Å; Q594-A609 CarbonylContact C-O 3.59Å; Q594-A609 WeakPolarHBondContact CA-O 3.4Å; Q594-A609 CarbonylContact O-C 3.53Å; Q594-A609 PolarHBondContact O-N 3.04Å; A609-T611 PolarHBondContact O-N 2.64Å
610	R	86.1	Confident	88.1	Confident	82 Å²	82	44.9 Å²	44.9	31%	0.309	25%	0.254	S	S	.	.			trans	-81.2	68	177.2	-53.5	-177.9	-152.1	-179.9	11.9	108.4	D567 N568 Q594 N608	D567-R610 WeakPolarHBondContact OD1-CB 3.33Å; D567-R610 PolarHBondContact OD1-N 2.77Å; N568-R610 VanDerWaalsContact CA-O 3.3Å; N568-R610 WeakPolarHBondContact CA-O 3.46Å; N568-R610 PolarHBondContact N-O 2.79Å; Q594-R610 HydrophobicContact CB-CG 4.24Å; N608-R610 HydrophobicContact CB-CG 4.49Å
611	T	89.3	Confident	88.1	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.037	26%	0.259	C	S	.	.			trans	-114.7	125.4	-175.4	64.9	0	0	0	0	110.9	E503 L563 S566 A609	E503-T611 VanDerWaalsContact OE2-C 3.24Å; E503-T611 PolarHBondContact OE2-N 3.38Å; L563-T611 WeakPolarHBondContact O-CG2 3.2Å; S566-T611 VanDerWaalsContact C-CG2 3.5Å; S566-T611 WeakPolarHBondContact O-CG2 3.42Å; A609-T611 PolarHBondContact O-N 2.64Å
612	S	91	Very high	88.2	Confident	7 Å²	7	45.4 Å²	45.4	5%	0.049	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.1	164.1	53	0	0	0	0	109.8	E503 I504 G569 I570 C571	E503-S612 PolarHBondContact OE2-N 3.04Å; I504-S612 WeakPolarHBondContact O-CB 3.48Å; G569-S612 PolarHBondContact O-N 3.33Å; G569-S612 VanDerWaalsContact O-N 3.13Å; G569-S612 PolarHBondContact O-OG 3.3Å; I570-S612 WeakPolarHBondContact CA-O 3.26Å; I570-S612 WeakPolarHBondContact CG1-OG 3.33Å; C571-S612 PolarHBondContact N-O 2.71Å
613	V	93.5	Very high	88.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.2	179.9	-179	0	0	0	0	109	Q483 N505 I506 I573 M591 A615 F644	Q483-V613 PolarHBondContact NE2-O 3.28Å; Q483-V613 VanDerWaalsContact NE2-O 3.16Å; N505-V613 WeakPolarHBondContact CA-O 3.31Å; N505-V613 PolarHBondContact OD1-N 3.32Å; I506-V613 PolarHBondContact N-O 3.18Å; I573-V613 HydrophobicContact CD1-CG1 3.94Å; I573-V613 HydrophobicContact CG1-CG1 4.44Å; M591-V613 HydrophobicContact CG-CG2 4.15Å; V613-A615 HydrophobicContact CG1-CB 4.26Å; V613-F644 HydrophobicContact CG1-CE1 4.3Å
614	L	94.8	Very high	88.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.4	169.4	-179.2	62.3	0	0	0	108	I506 L508 L519 L520 V523 I570 C571 C572 I573	I506-L614 HydrophobicContact CB-CD1 3.76Å; I506-L614 HydrophobicContact CG2-CD1 3.84Å; L508-L614 HydrophobicContact CD1-CD1 4.26Å; L508-L614 HydrophobicContact CG-CD1 4.27Å; L519-L614 HydrophobicContact CD2-CD2 4.32Å; L520-L614 HydrophobicContact CD2-CB 4.41Å; L520-L614 HydrophobicContact CD2-CD1 4.48Å; L520-L614 HydrophobicContact CD2-CD2 3.72Å; L520-L614 HydrophobicContact CD2-CG 3.53Å; V523-L614 HydrophobicContact CB-CD2 4.12Å; V523-L614 HydrophobicContact CG1-CD2 3.94Å; V523-L614 HydrophobicContact CG2-CD2 4.08Å; I570-L614 HydrophobicContact CG2-CB 3.72Å; I570-L614 HydrophobicContact CG2-CD2 4.41Å; C571-L614 PolarHBondContact O-N 3.01Å; C572-L614 WeakPolarHBondContact CA-O 3.3Å; I573-L614 PolarHBondContact N-O 3.07Å
615	A	93.4	Very high	88.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.2	-173.7	0	0	0	0	0	111.8	I506 L507 L508 I573 F576 V613 F644	I506-A615 PolarHBondContact O-N 3.14Å; L507-A615 HydrophobicContact CD1-CB 3.81Å; L508-A615 PolarHBondContact N-O 3.39Å; I573-A615 CarbonylContact O-C 3.5Å; I573-A615 WeakPolarHBondContact O-CA 3.45Å; F576-A615 HydrophobicContact CB-CB 4.32Å; F576-A615 HydrophobicContact CD2-CB 3.65Å; F576-A615 HydrophobicContact CE2-CB 4.09Å; F576-A615 HydrophobicContact CG-CB 4.03Å; V613-A615 HydrophobicContact CG1-CB 4.26Å; A615-F644 HydrophobicContact CB-CE1 4.05Å; A615-F644 HydrophobicContact CB-CZ 4.13Å
616	A	93.1	Very high	87.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.8	166.5	0	0	0	0	0	111.1	L508 K516 L520 I573 F576	L508-A616 HydrophobicContact CB-CB 4.5Å; L508-A616 WeakPolarHBondContact O-CA 3.41Å; K516-A616 HydrophobicContact CB-CB 4.2Å; K516-A616 HydrophobicContact CD-CB 4.44Å; L520-A616 HydrophobicContact CD1-CB 3.66Å; L520-A616 HydrophobicContact CG-CB 4.3Å; I573-A616 PolarHBondContact O-N 3.2Å; F576-A616 WeakPolarHBondContact CB-O 3.18Å; F576-A616 PolarHBondContact N-O 2.82Å
617	A	91.4	Very high	87.2	Confident	3 Å²	3	43 Å²	43	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156.6	177.1	0	0	0	0	0	110.9	L507 L508 C509 K516 F576	L507-A617 HydrophobicContact CD1-CB 4.02Å; L508-A617 PolarHBondContact O-N 3.39Å; C509-A617 WeakPolarHBondContact CA-O 3.3Å; K516-A617 PolarHBondContact NZ-O 3.28Å; F576-A617 HydrophobicContact CB-CB 4.38Å
618	N	90.6	Very high	86.8	Confident	26 Å²	26	45 Å²	45	14%	0.139	22%	0.223	C	C	.	.			trans	-118	150.7	173.5	-52.2	-73	0	0	0	108.7	K516 D577	K516-N618 PolarHBondContact NZ-OD1 2.88Å; D577-N618 PolarHBondContact OD1-ND2 2.96Å
619	P	88.4	Confident	86.6	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.019	21%	0.212	C	C	.	.			trans	-66.2	155	174.8	30	-36.1	0	0	0	110.6	G510 E621 S622 W624 N633	G510-P619 WeakPolarHBondContact O-CD 3.44Å; P619-E621 VanDerWaalsContact C-N 3.26Å; P619-E621 PolarHBondContact O-N 2.87Å; P619-E621 VanDerWaalsContact O-N 3.14Å; P619-S622 WeakPolarHBondContact CG-O 3.39Å; P619-S622 WeakPolarHBondContact O-CA 3.23Å; P619-S622 PolarHBondContact O-N 2.93Å; P619-W624 HydrophobicContact CB-CE3 4.24Å; P619-N633 VanDerWaalsContact CA-O 3.26Å; P619-N633 WeakPolarHBondContact CA-O 3.45Å
620	I	86.1	Confident	86.2	Confident	100 Å²	100	43.7 Å²	43.7	51%	0.513	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-34.2	-172.5	-172.4	173.7	0	0	0	114.5	N633 Q635	I620-N633 PolarHBondContact N-O 3.14Å; I620-Q635 HydrophobicContact CD1-CB 4.38Å; I620-Q635 HydrophobicContact CD1-CG 4.12Å
621	E	84.6	Confident	85.9	Confident	104 Å²	104	41.5 Å²	41.5	49%	0.486	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	13.1	178.5	-80.5	168.2	-105.6	0	0	113.3	P619 Q623 N625 K628	P619-E621 VanDerWaalsContact C-N 3.26Å; P619-E621 PolarHBondContact O-N 2.87Å; P619-E621 VanDerWaalsContact O-N 3.14Å; E621-Q623 PolarHBondContact O-N 2.82Å; E621-N625 PolarHBondContact OE1-ND2 3.19Å; E621-N625 PolarHBondContact OE2-ND2 3.04Å; E621-K628 IonicContact OE1-NZ 3.69Å; E621-K628 PolarHBondContact OE1-NZ 3.5Å
622	S	84.8	Confident	85.6	Confident	71 Å²	71	46.1 Å²	46.1	50%	0.497	23%	0.233	S	C	.	.	S	Bend	trans	62.6	-33.5	-169.9	-53.5	0	0	0	0	115.4	P512 P619	P512-S622 WeakPolarHBondContact CD-O 3.26Å; P619-S622 WeakPolarHBondContact CG-O 3.39Å; P619-S622 WeakPolarHBondContact O-CA 3.23Å; P619-S622 PolarHBondContact O-N 2.93Å
623	Q	84.1	Confident	85.2	Confident	96 Å²	96	45.8 Å²	45.8	45%	0.449	23%	0.231	S	C	.	.	S	Bend	trans	-100.2	145.8	168.6	-163.5	70.3	46.6	0	0	111.4	D511 E621 N625	D511-Q623 WeakPolarHBondContact OD1-CA 3.11Å; D511-Q623 PolarHBondContact OD1-NE2 3.28Å; D511-Q623 PolarHBondContact OD2-NE2 2.94Å; E621-Q623 PolarHBondContact O-N 2.82Å; Q623-N625 PolarHBondContact O-N 2.99Å
624	W	84.1	Confident	84.6	Confident	11 Å²	11	46.5 Å²	46.5	4%	0.042	23%	0.234	C	C	.	.			trans	-66.5	114.9	170.1	-168.8	-98.3	0	0	0	112	D511 P619 P626 T630 N633 I634 L649 L651 V781	D511-W624 PolarHBondContact OD1-N 3.29Å; P619-W624 HydrophobicContact CB-CE3 4.24Å; W624-P626 WeakPolarHBondContact O-CD 3.31Å; W624-T630 HydrophobicContact CH2-CG2 3.88Å; W624-T630 HydrophobicContact CZ2-CG2 4.36Å; W624-N633 HydrophobicContact CD2-CB 4.5Å; W624-N633 VanDerWaalsContact CE2-ND2 3.31Å; W624-N633 HydrophobicContact CE3-CB 3.94Å; W624-N633 HydrophobicContact CH2-CB 3.71Å; W624-N633 HydrophobicContact CZ2-CB 4.29Å; W624-N633 WeakPolarHBondContact CZ2-ND2 3.36Å; W624-N633 HydrophobicContact CZ3-CB 3.52Å; W624-I634 HydrophobicContact CZ3-CG1 4.26Å; W624-L649 HydrophobicContact CH2-CD2 4.43Å; W624-L651 HydrophobicContact CB-CD2 3.86Å; W624-L651 HydrophobicContact CD2-CD2 3.59Å; W624-L651 HydrophobicContact CE3-CD2 4.1Å; W624-L651 HydrophobicContact CG-CD2 3.45Å; W624-L651 VanDerWaalsContact CG-CD2 3.45Å; W624-V781 HydrophobicContact CZ2-CG2 4.36Å
625	N	83.2	Confident	84.1	Confident	46 Å²	46	52.5 Å²	52.5	25%	0.246	26%	0.262	C	S	.	.			trans	-86.2	108.5	171.7	-92.7	-50.6	0	0	0	110.2	E621 Q623 K627 K628 N633	E621-N625 PolarHBondContact OE1-ND2 3.19Å; E621-N625 PolarHBondContact OE2-ND2 3.04Å; Q623-N625 PolarHBondContact O-N 2.99Å; N625-K627 PolarHBondContact O-N 2.85Å; N625-K627 VanDerWaalsContact O-N 3.16Å; N625-K628 HydrophobicContact CB-CB 4.39Å; N625-K628 HydrophobicContact CB-CD 4.22Å; N625-K628 HydrophobicContact CB-CG 4.3Å; N625-K628 PolarHBondContact O-N 3.44Å; N625-N633 PolarHBondContact O-ND2 2.81Å
626	P	76.9	Confident	83.5	Confident	49 Å²	49	52.9 Å²	52.9	32%	0.318	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-15	177.4	27.8	-35.6	0	0	0	113.2	W624 K628 I780 I783	W624-P626 WeakPolarHBondContact O-CD 3.31Å; P626-K628 VanDerWaalsContact C-N 3.29Å; P626-K628 PolarHBondContact O-N 3Å; P626-I780 VanDerWaalsContact O-CG2 3.3Å; P626-I780 WeakPolarHBondContact O-CG2 3.29Å; P626-I783 HydrophobicContact CB-CD1 3.95Å; P626-I783 HydrophobicContact CB-CG1 4.36Å; P626-I783 HydrophobicContact CG-CD1 4.09Å
627	K	78.4	Confident	83.1	Confident	190 Å²	190	55.1 Å²	55.1	83%	0.826	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.2	178	-64	178.2	-177.8	171.8	0	114.1	N625	N625-K627 PolarHBondContact O-N 2.85Å; N625-K627 VanDerWaalsContact O-N 3.16Å
628	K	80.1	Confident	82.5	Confident	79 Å²	79	59.2 Å²	59.2	34%	0.343	30%	0.297	S	S	.	.	S	Bend	trans	-110.7	157.6	179.7	-73.6	-177.5	173.1	-177	0	110.2	E621 N625 P626 N633	E621-K628 IonicContact OE1-NZ 3.69Å; E621-K628 PolarHBondContact OE1-NZ 3.5Å; N625-K628 HydrophobicContact CB-CB 4.39Å; N625-K628 HydrophobicContact CB-CD 4.22Å; N625-K628 HydrophobicContact CB-CG 4.3Å; N625-K628 PolarHBondContact O-N 3.44Å; P626-K628 VanDerWaalsContact C-N 3.29Å; P626-K628 PolarHBondContact O-N 3Å; K628-N633 VanDerWaalsContact CB-OD1 3.27Å; K628-N633 WeakPolarHBondContact CB-OD1 3.5Å; K628-N633 WeakPolarHBondContact CD-OD1 3.35Å
629	T	78.6	Confident	82.2	Confident	25 Å²	25	61.7 Å²	61.7	15%	0.153	31%	0.314	C	S	.	.			trans	-73.7	154.2	175.2	64.2	0	0	0	0	111.3	I631 E632 N633	T629-I631 PolarHBondContact O-N 3.14Å; T629-I631 VanDerWaalsContact O-N 3.14Å; T629-I631 VanDerWaalsContact OG1-CG2 3.26Å; T629-I631 WeakPolarHBondContact OG1-CG2 3.47Å; T629-E632 WeakPolarHBondContact CB-OE2 3.33Å; T629-E632 PolarHBondContact N-OE2 2.68Å; T629-E632 PolarHBondContact O-N 3.33Å; T629-E632 VanDerWaalsContact O-N 3.08Å; T629-E632 VanDerWaalsContact OG1-CG 3.29Å; T629-E632 WeakPolarHBondContact OG1-CG 3.34Å; T629-E632 PolarHBondContact OG1-OE2 3.17Å; T629-N633 PolarHBondContact O-N 3.02Å; T629-N633 VanDerWaalsContact O-N 3.14Å
630	T	77.8	Confident	82.1	Confident	19 Å²	19	61.6 Å²	61.6	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-54.1	-34.8	179.3	-55.6	0	0	0	0	112.9	W624 I634 L649	W624-T630 HydrophobicContact CH2-CG2 3.88Å; W624-T630 HydrophobicContact CZ2-CG2 4.36Å; T630-I634 HydrophobicContact CG2-CD1 4.04Å; T630-I634 WeakPolarHBondContact O-CD1 3.36Å; T630-I634 VanDerWaalsContact O-CG1 3.26Å; T630-I634 WeakPolarHBondContact O-CG1 3.39Å; T630-L649 HydrophobicContact CG2-CD1 3.87Å; T630-L649 HydrophobicContact CG2-CD2 4.35Å
631	I	80.1	Confident	82.1	Confident	37 Å²	37	57.3 Å²	57.3	19%	0.19	29%	0.291	C	S	.	.	H	α-helix	trans	-70.8	-40.4	178.6	-178.6	63.8	0	0	0	112.5	T629 I634 Q635 L641	T629-I631 PolarHBondContact O-N 3.14Å; T629-I631 VanDerWaalsContact O-N 3.14Å; T629-I631 VanDerWaalsContact OG1-CG2 3.26Å; T629-I631 WeakPolarHBondContact OG1-CG2 3.47Å; I631-I634 PolarHBondContact O-N 3.4Å; I631-Q635 PolarHBondContact O-N 3.4Å; I631-Q635 VanDerWaalsContact O-N 3.12Å; I631-L641 HydrophobicContact CD1-CD1 3.34Å
632	E	82.1	Confident	82	Confident	102 Å²	102	53.5 Å²	53.5	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-71	-34.7	179.6	-68.5	164.5	134.2	0	0	112.7	T629 I634	T629-E632 WeakPolarHBondContact CB-OE2 3.33Å; T629-E632 PolarHBondContact N-OE2 2.68Å; T629-E632 PolarHBondContact O-N 3.33Å; T629-E632 VanDerWaalsContact O-N 3.08Å; T629-E632 VanDerWaalsContact OG1-CG 3.29Å; T629-E632 WeakPolarHBondContact OG1-CG 3.34Å; T629-E632 PolarHBondContact OG1-OE2 3.17Å; E632-I634 VanDerWaalsContact C-N 3.3Å; E632-I634 PolarHBondContact O-N 3.07Å
633	N	83.3	Confident	82.3	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67.8	-30.4	177	-79	-20.1	0	0	0	112.8	P619 I620 W624 N625 K628 T629	P619-N633 VanDerWaalsContact CA-O 3.26Å; P619-N633 WeakPolarHBondContact CA-O 3.45Å; I620-N633 PolarHBondContact N-O 3.14Å; W624-N633 HydrophobicContact CD2-CB 4.5Å; W624-N633 VanDerWaalsContact CE2-ND2 3.31Å; W624-N633 HydrophobicContact CE3-CB 3.94Å; W624-N633 HydrophobicContact CH2-CB 3.71Å; W624-N633 HydrophobicContact CZ2-CB 4.29Å; W624-N633 WeakPolarHBondContact CZ2-ND2 3.36Å; W624-N633 HydrophobicContact CZ3-CB 3.52Å; N625-N633 PolarHBondContact O-ND2 2.81Å; K628-N633 VanDerWaalsContact CB-OD1 3.27Å; K628-N633 WeakPolarHBondContact CB-OD1 3.5Å; K628-N633 WeakPolarHBondContact CD-OD1 3.35Å; T629-N633 PolarHBondContact O-N 3.02Å; T629-N633 VanDerWaalsContact O-N 3.14Å
634	I	81.7	Confident	82.5	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.072	24%	0.239	C	C	.	.	H	α-helix	trans	-89.7	-28.6	-176.3	-63.3	173.9	0	0	0	112.1	W624 T630 I631 E632 L636 L641 L649	W624-I634 HydrophobicContact CZ3-CG1 4.26Å; T630-I634 HydrophobicContact CG2-CD1 4.04Å; T630-I634 WeakPolarHBondContact O-CD1 3.36Å; T630-I634 VanDerWaalsContact O-CG1 3.26Å; T630-I634 WeakPolarHBondContact O-CG1 3.39Å; I631-I634 PolarHBondContact O-N 3.4Å; E632-I634 VanDerWaalsContact C-N 3.3Å; E632-I634 PolarHBondContact O-N 3.07Å; I634-L636 HydrophobicContact CG2-CB 4.12Å; I634-L636 HydrophobicContact CG2-CD1 3.89Å; I634-L636 HydrophobicContact CG2-CG 3.9Å; I634-L636 PolarHBondContact O-N 2.82Å; I634-L636 VanDerWaalsContact O-N 3.15Å; I634-L641 HydrophobicContact CG2-CD2 4.13Å; I634-L649 HydrophobicContact CD1-CD2 4.17Å
635	Q	82.3	Confident	82.8	Confident	126 Å²	126	47.3 Å²	47.3	59%	0.589	24%	0.238	S	C	*	.			trans	54	33.5	174.9	-162.9	63.3	4.7	0	0	114.5	I620 I631	I620-Q635 HydrophobicContact CD1-CB 4.38Å; I620-Q635 HydrophobicContact CD1-CG 4.12Å; I631-Q635 PolarHBondContact O-N 3.4Å; I631-Q635 VanDerWaalsContact O-N 3.12Å
636	L	81.8	Confident	83.2	Confident	9 Å²	9	45.1 Å²	45.1	5%	0.047	23%	0.226	C	C	.	.			trans	-108.7	142.5	174.2	-68.1	179.2	0	0	0	111.5	L507 F576 I634 L640 L641	L507-L636 HydrophobicContact CD2-CD1 4.22Å; F576-L636 HydrophobicContact CD1-CD1 4.03Å; F576-L636 HydrophobicContact CD1-CD2 4.49Å; F576-L636 HydrophobicContact CE1-CD1 3.92Å; F576-L636 HydrophobicContact CE1-CD2 4.38Å; I634-L636 HydrophobicContact CG2-CB 4.12Å; I634-L636 HydrophobicContact CG2-CD1 3.89Å; I634-L636 HydrophobicContact CG2-CG 3.9Å; I634-L636 PolarHBondContact O-N 2.82Å; I634-L636 VanDerWaalsContact O-N 3.15Å; L636-L640 HydrophobicContact CD2-CD2 4.32Å; L636-L641 HydrophobicContact CB-CD1 4.19Å; L636-L641 HydrophobicContact CB-CD2 3.93Å; L636-L641 HydrophobicContact CB-CG 3.87Å; L636-L641 HydrophobicContact CD1-CD2 3.96Å; L636-L641 WeakPolarHBondContact O-CD1 3.49Å
637	P	84.1	Confident	83.8	Confident	46 Å²	46	43.7 Å²	43.7	30%	0.299	22%	0.215	S	C	.	.			trans	-59.1	141.8	175.8	-25.6	35.2	0	0	0	113.3	T639 L640 L641	P637-T639 WeakPolarHBondContact CB-OG1 3.32Å; P637-T639 PolarHBondContact O-N 2.62Å; P637-T639 VanDerWaalsContact O-N 3.1Å; P637-L640 WeakPolarHBondContact O-CB 3.28Å; P637-L640 PolarHBondContact O-N 3.28Å; P637-L641 PolarHBondContact O-N 2.89Å
638	H	80.3	Confident	84.4	Confident	89 Å²	89	34.9 Å²	34.9	41%	0.412	18%	0.177	S	C	.	.	H	α-helix	trans	-55.8	-28.6	175	-64.7	-92.4	0	0	0	113.2	L640 S642	H638-L640 VanDerWaalsContact C-N 3.26Å; H638-L640 PolarHBondContact O-N 3.38Å; H638-S642 VanDerWaalsContact O-CB 3.23Å; H638-S642 WeakPolarHBondContact O-CB 3.41Å; H638-S642 PolarHBondContact O-N 3.11Å; H638-S642 PolarHBondContact O-OG 3.09Å
639	T	83.6	Confident	84.7	Confident	79 Å²	79	31.4 Å²	31.4	49%	0.485	16%	0.162	S	C	.	.	H	α-helix	trans	-67	-22	174.4	51.8	0	0	0	0	113.9	P637 R643	P637-T639 WeakPolarHBondContact CB-OG1 3.32Å; P637-T639 PolarHBondContact O-N 2.62Å; P637-T639 VanDerWaalsContact O-N 3.1Å; T639-R643 WeakPolarHBondContact O-CD 3.43Å
640	L	86.5	Confident	85	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-93.9	-48.8	174	-165.2	53.7	0	0	0	110.8	F576 M591 L636 P637 H638 S642 R643 F644	F576-L640 HydrophobicContact CE1-CD2 3.73Å; F576-L640 HydrophobicContact CE1-CG 4.42Å; F576-L640 HydrophobicContact CZ-CD1 4.49Å; F576-L640 HydrophobicContact CZ-CD2 3.91Å; F576-L640 HydrophobicContact CZ-CG 4.39Å; M591-L640 HydrophobicContact SD-CD1 4.14Å; L636-L640 HydrophobicContact CD2-CD2 4.32Å; P637-L640 WeakPolarHBondContact O-CB 3.28Å; P637-L640 PolarHBondContact O-N 3.28Å; H638-L640 VanDerWaalsContact C-N 3.26Å; H638-L640 PolarHBondContact O-N 3.38Å; L640-S642 VanDerWaalsContact C-N 3.28Å; L640-S642 PolarHBondContact O-N 3.43Å; L640-R643 WeakPolarHBondContact O-CB 3.41Å; L640-R643 PolarHBondContact O-N 3.33Å; L640-F644 HydrophobicContact CG-CE2 4.35Å
641	L	84.6	Confident	85.3	Confident	9 Å²	9	30.6 Å²	30.6	5%	0.047	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-40.2	-179.1	-69.3	173.2	0	0	0	112.2	L507 I631 I634 L636 P637 R643 F644 I647	L507-L641 HydrophobicContact CD2-CD2 3.96Å; I631-L641 HydrophobicContact CD1-CD1 3.34Å; I634-L641 HydrophobicContact CG2-CD2 4.13Å; L636-L641 HydrophobicContact CB-CD1 4.19Å; L636-L641 HydrophobicContact CB-CD2 3.93Å; L636-L641 HydrophobicContact CB-CG 3.87Å; L636-L641 HydrophobicContact CD1-CD2 3.96Å; L636-L641 WeakPolarHBondContact O-CD1 3.49Å; P637-L641 PolarHBondContact O-N 2.89Å; L641-R643 PolarHBondContact O-N 3.22Å; L641-R643 VanDerWaalsContact O-N 3.08Å; L641-F644 PolarHBondContact O-N 2.76Å; L641-I647 HydrophobicContact CB-CD1 4.41Å; L641-I647 HydrophobicContact CD2-CD1 4.12Å
642	S	84.4	Confident	85.4	Confident	25 Å²	25	31.9 Å²	31.9	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-3.8	177.2	61.3	0	0	0	0	115.1	H638 L640 R732	H638-S642 VanDerWaalsContact O-CB 3.23Å; H638-S642 WeakPolarHBondContact O-CB 3.41Å; H638-S642 PolarHBondContact O-N 3.11Å; H638-S642 PolarHBondContact O-OG 3.09Å; L640-S642 VanDerWaalsContact C-N 3.28Å; L640-S642 PolarHBondContact O-N 3.43Å; S642-R732 VanDerWaalsContact C-NH1 3.26Å; S642-R732 WeakPolarHBondContact O-CD 3.48Å; S642-R732 PolarHBondContact O-NH1 3.27Å; S642-R732 PolarHBondContact OG-NH1 3.33Å; S642-R732 VanDerWaalsContact OG-NH1 3.08Å
643	R	89.3	Confident	85	Confident	36 Å²	36	28.4 Å²	28.4	14%	0.136	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-17.6	179	-69.8	179.6	155.1	143.8	-15	114.1	R501 H588 M591 E592 T639 L640 L641	R501-R643 PolarHBondContact NH1-O 3.24Å; R501-R643 VanDerWaalsContact NH1-O 3.07Å; R501-R643 PolarHBondContact NH2-O 2.77Å; H588-R643 VanDerWaalsContact CG-NH1 3.29Å; H588-R643 PolarHBondContact ND1-NH1 2.83Å; H588-R643 PolarHBondContact O-NH1 3.43Å; H588-R643 PolarHBondContact O-NH2 3.12Å; M591-R643 HydrophobicContact CB-CB 4.45Å; M591-R643 HydrophobicContact CE-CB 4.12Å; E592-R643 WeakPolarHBondContact OE2-CG 3.45Å; E592-R643 IonicContact OE2-CZ 2.73Å; E592-R643 IonicContact OE2-NE 2.82Å; E592-R643 PolarHBondContact OE2-NE 3Å; E592-R643 IonicContact OE2-NH2 3.13Å; T639-R643 WeakPolarHBondContact O-CD 3.43Å; L640-R643 WeakPolarHBondContact O-CB 3.41Å; L640-R643 PolarHBondContact O-N 3.33Å; L641-R643 PolarHBondContact O-N 3.22Å; L641-R643 VanDerWaalsContact O-N 3.08Å
644	F	90.1	Very high	84.8	Confident	10 Å²	10	36.3 Å²	36.3	4%	0.044	19%	0.187	C	C	.	.			trans	-76.6	137.7	164.8	-65.4	-81.7	0	0	0	109	N505 L507 F576 M591 V613 A615 L640 L641 I647	N505-F644 HydrophobicContact CB-CD1 4Å; L507-F644 HydrophobicContact CB-CB 4.38Å; L507-F644 HydrophobicContact CB-CD1 3.73Å; L507-F644 HydrophobicContact CB-CD2 4.17Å; L507-F644 HydrophobicContact CB-CE1 3.96Å; L507-F644 HydrophobicContact CB-CE2 4.38Å; L507-F644 HydrophobicContact CB-CG 3.84Å; L507-F644 HydrophobicContact CB-CZ 4.27Å; L507-F644 HydrophobicContact CD1-CZ 4.32Å; L507-F644 HydrophobicContact CD2-CD2 4.21Å; L507-F644 HydrophobicContact CD2-CE2 4.19Å; F576-F644 HydrophobicContact CE1-CE2 4.34Å; F576-F644 HydrophobicContact CE1-CZ 4.24Å; F576-F644 HydrophobicContact CE2-CZ 4.24Å; F576-F644 HydrophobicContact CZ-CE2 4.19Å; F576-F644 AromaticContact CZ-CZ 3.81Å; F576-F644 HydrophobicContact CZ-CZ 3.81Å; M591-F644 HydrophobicContact CE-CD1 3.8Å; M591-F644 HydrophobicContact CE-CD2 4.12Å; M591-F644 HydrophobicContact CE-CE1 3.62Å; M591-F644 HydrophobicContact CE-CE2 3.96Å; M591-F644 HydrophobicContact CE-CG 4.06Å; M591-F644 HydrophobicContact CE-CZ 3.71Å; M591-F644 HydrophobicContact SD-CZ 4.38Å; V613-F644 HydrophobicContact CG1-CE1 4.3Å; A615-F644 HydrophobicContact CB-CE1 4.05Å; A615-F644 HydrophobicContact CB-CZ 4.13Å; L640-F644 HydrophobicContact CG-CE2 4.35Å; L641-F644 PolarHBondContact O-N 2.76Å; F644-I647 HydrophobicContact CB-CG1 4.05Å
645	D	90.6	Very high	84.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-84.6	-32.6	178.5	-58	-73.8	0	0	0	111.2	R501 I504 N505 S736 R739 H765	R501-D645 IonicContact CZ-OD2 2.76Å; R501-D645 IonicContact NH2-OD1 3.24Å; R501-D645 PolarHBondContact NH2-OD1 3.41Å; R501-D645 VanDerWaalsContact NH2-OD1 3.09Å; R501-D645 IonicContact NH2-OD2 3.91Å; R501-D645 PolarHBondContact NH2-OD2 2.87Å; I504-D645 WeakPolarHBondContact CA-OD2 3.18Å; I504-D645 HydrophobicContact CG2-CB 4.18Å; N505-D645 PolarHBondContact N-OD2 3.09Å; N505-D645 PolarHBondContact O-N 2.92Å; D645-S736 WeakPolarHBondContact OD1-CA 3.24Å; D645-S736 WeakPolarHBondContact OD1-CB 3.45Å; D645-S736 PolarHBondContact OD1-OG 3.23Å; D645-R739 IonicContact OD1-NH1 3.68Å; D645-R739 PolarHBondContact OD1-NH1 2.93Å; D645-H765 PolarHBondContact O-ND1 3.27Å; D645-H765 VanDerWaalsContact O-ND1 3.16Å
646	L	90.4	Very high	84.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	136.9	173.8	-64.9	174.4	0	0	0	110.2	N505 I506 L507 F648 L740 L764 H765 A768	N505-L646 PolarHBondContact O-N 3.06Å; I506-L646 WeakPolarHBondContact CA-O 3.42Å; I506-L646 HydrophobicContact CD1-CD1 4.32Å; I506-L646 HydrophobicContact CG1-CB 4.35Å; L507-L646 PolarHBondContact N-O 3.38Å; L646-F648 HydrophobicContact CB-CD2 4.44Å; L646-F648 HydrophobicContact CB-CE2 4Å; L646-F648 HydrophobicContact CD1-CE2 3.93Å; L646-F648 HydrophobicContact CD1-CZ 3.93Å; L646-L740 HydrophobicContact CD1-CD1 4.5Å; L646-L740 HydrophobicContact CD1-CD2 3.82Å; L646-L740 HydrophobicContact CD2-CD1 3.89Å; L646-L740 HydrophobicContact CG-CD1 4.15Å; L646-L740 HydrophobicContact CG-CD2 4.25Å; L646-L764 HydrophobicContact CD1-CD2 3.85Å; L646-L764 HydrophobicContact CD1-CG 4.28Å; L646-L764 HydrophobicContact CD2-CG 4.4Å; L646-H765 HydrophobicContact CD2-CB 4.26Å; L646-A768 HydrophobicContact CD2-CB 4.29Å
647	I	90.6	Very high	85.2	Confident	18 Å²	18	43.6 Å²	43.6	9%	0.092	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106.6	172.3	-57.6	169.4	0	0	0	105.9	L507 L641 F644 A768 L769	L507-I647 HydrophobicContact CB-CG1 4.23Å; L507-I647 HydrophobicContact CB-CG2 4.37Å; L507-I647 HydrophobicContact CD2-CG1 4.4Å; L507-I647 HydrophobicContact CD2-CG2 4.13Å; L507-I647 HydrophobicContact CG-CG2 4.36Å; L507-I647 CarbonylContact O-C 3.59Å; L507-I647 WeakPolarHBondContact O-CA 3.17Å; L641-I647 HydrophobicContact CB-CD1 4.41Å; L641-I647 HydrophobicContact CD2-CD1 4.12Å; F644-I647 HydrophobicContact CB-CG1 4.05Å; I647-A768 CarbonylContact O-C 3.57Å; I647-A768 WeakPolarHBondContact O-CB 3.42Å; I647-L769 HydrophobicContact CB-CD2 4.18Å
648	F	90.6	Very high	85.1	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.8	179.1	-71	-78.4	0	0	0	110.9	D475 I476 I506 L507 L508 C509 L646 L764 A768	D475-F648 HydrophobicContact CB-CE1 4.31Å; D475-F648 WeakPolarHBondContact O-CE1 3.4Å; D475-F648 WeakPolarHBondContact O-CZ 3.23Å; I476-F648 HydrophobicContact CD1-CB 4.35Å; I476-F648 HydrophobicContact CG1-CB 4.31Å; I476-F648 HydrophobicContact CG1-CD1 3.89Å; I476-F648 HydrophobicContact CG1-CE1 4.36Å; I476-F648 HydrophobicContact CG1-CG 4.06Å; I476-F648 HydrophobicContact CG2-CD2 4.41Å; I506-F648 HydrophobicContact CG2-CD2 3.77Å; I506-F648 HydrophobicContact CG2-CE2 3.95Å; L507-F648 PolarHBondContact O-N 3.35Å; L508-F648 HydrophobicContact CD2-CB 4.03Å; L508-F648 HydrophobicContact CD2-CD2 3.91Å; L508-F648 HydrophobicContact CD2-CG 4.37Å; C509-F648 PolarHBondContact N-O 2.84Å; C509-F648 VanDerWaalsContact O-O 3.13Å; L646-F648 HydrophobicContact CB-CD2 4.44Å; L646-F648 HydrophobicContact CB-CE2 4Å; L646-F648 HydrophobicContact CD1-CE2 3.93Å; L646-F648 HydrophobicContact CD1-CZ 3.93Å; F648-L764 HydrophobicContact CE1-CD1 4.06Å; F648-L764 HydrophobicContact CZ-CD1 4.05Å; F648-L764 HydrophobicContact CZ-CG 4.41Å; F648-A768 HydrophobicContact CD1-CB 3.53Å; F648-A768 HydrophobicContact CE1-CB 3.63Å; F648-A768 HydrophobicContact CG-CB 4.09Å; F648-A768 HydrophobicContact CZ-CB 4.27Å
649	L	86.2	Confident	85.5	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	89.6	175.5	-60.2	179.7	0	0	0	111.2	C509 W624 T630 I634 L651 A768 K770	C509-L649 HydrophobicContact CB-CD2 4.19Å; W624-L649 HydrophobicContact CH2-CD2 4.43Å; T630-L649 HydrophobicContact CG2-CD1 3.87Å; T630-L649 HydrophobicContact CG2-CD2 4.35Å; I634-L649 HydrophobicContact CD1-CD2 4.17Å; L649-L651 PolarHBondContact O-N 3.2Å; L649-A768 PolarHBondContact N-O 3.49Å; L649-A768 VanDerWaalsContact N-O 3.14Å; L649-K770 HydrophobicContact CB-CD 4.28Å; L649-K770 VanDerWaalsContact O-CE 3.31Å; L649-K770 WeakPolarHBondContact O-CE 3.31Å; L649-K770 PolarHBondContact O-NZ 2.97Å
650	M	85.4	Confident	85.8	Confident	7 Å²	7	48.7 Å²	48.7	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	114.4	165.3	-73.7	169.9	-75.2	0	0	108.5	I476 L508 C509 G510 T514 K516	I476-M650 HydrophobicContact CD1-CE 4.27Å; I476-M650 HydrophobicContact CD1-CG 3.36Å; I476-M650 HydrophobicContact CD1-SD 3.58Å; I476-M650 VanDerWaalsContact CD1-SD 3.58Å; L508-M650 HydrophobicContact CB-CE 3.68Å; L508-M650 HydrophobicContact CD1-CE 4.43Å; L508-M650 HydrophobicContact CD2-CE 4.24Å; L508-M650 HydrophobicContact CG-CE 4.33Å; C509-M650 PolarHBondContact O-N 3.34Å; G510-M650 WeakPolarHBondContact CA-O 3.2Å; T514-M650 HydrophobicContact CG2-CB 4.35Å; K516-M650 HydrophobicContact CB-CE 4.28Å; K516-M650 HydrophobicContact CD-CE 3.78Å; K516-M650 HydrophobicContact CG-CE 3.62Å; K516-M650 HydrophobicContact CG-SD 4.21Å
651	L	82.8	Confident	85.8	Confident	19 Å²	19	55 Å²	55	10%	0.099	27%	0.265	C	S	.	.			trans	-114.6	141.5	171.9	-58.4	178.6	0	0	0	105.8	W624 L649 P653 V781 L786	W624-L651 HydrophobicContact CB-CD2 3.86Å; W624-L651 HydrophobicContact CD2-CD2 3.59Å; W624-L651 HydrophobicContact CE3-CD2 4.1Å; W624-L651 HydrophobicContact CG-CD2 3.45Å; W624-L651 VanDerWaalsContact CG-CD2 3.45Å; L649-L651 PolarHBondContact O-N 3.2Å; L651-P653 WeakPolarHBondContact O-CD 3.31Å; L651-V781 HydrophobicContact CD1-CG1 3.96Å; L651-L786 HydrophobicContact CD1-CD1 4.34Å
652	D	81.7	Confident	85.9	Confident	65 Å²	65	56.9 Å²	56.9	35%	0.348	27%	0.274	S	S	.	.			trans	-97.3	98.2	-178.6	-163.9	36.3	0	0	0	110.1	D511 T514	D511-D652 HydrophobicContact CB-CB 4.3Å; D511-D652 PolarHBondContact OD2-N 2.97Å; T514-D652 HydrophobicContact CG2-CB 4.13Å
653	P	75.2	Confident	86.1	Confident	28 Å²	28	58.1 Å²	58.1	18%	0.182	29%	0.287	C	S	.	.			trans	-76.1	127.8	175.6	32.8	-33.8	0	0	0	109.6	L651 D655 T787	L651-P653 WeakPolarHBondContact O-CD 3.31Å; P653-D655 PolarHBondContact O-N 3.03Å; P653-T787 HydrophobicContact CB-CG2 4.12Å
654	Q	77.8	Confident	86.1	Confident	168 Å²	168	63 Å²	63	79%	0.785	31%	0.311	S	S	*	.			trans	-78.8	61.2	178.9	-65	177.4	-5.2	0	0	110.9
655	D	80.2	Confident	85.8	Confident	58 Å²	58	64.7 Å²	64.7	31%	0.31	32%	0.319	S	S	.	.			trans	-106.2	111.3	-174.7	-74.7	-22.2	0	0	0	111	P653 A657 Y658 D659 T787	P653-D655 PolarHBondContact O-N 3.03Å; D655-A657 PolarHBondContact O-N 3.28Å; D655-Y658 WeakPolarHBondContact O-CB 3.44Å; D655-Y658 PolarHBondContact O-N 3.49Å; D655-D659 PolarHBondContact O-N 3.06Å; D655-D659 VanDerWaalsContact O-N 3.11Å; D655-T787 WeakPolarHBondContact OD2-CG2 3.3Å
656	E	87.3	Confident	85.5	Confident	174 Å²	174	68.4 Å²	68.4	81%	0.813	34%	0.338	S	S	*	.	H	α-helix	trans	-52.5	-28.3	179.9	-60.4	-176	172.8	0	0	113.9	R660	E656-R660 VanDerWaalsContact O-CB 3.22Å; E656-R660 WeakPolarHBondContact O-CB 3.29Å; E656-R660 PolarHBondContact O-N 2.97Å; E656-R660 VanDerWaalsContact O-N 3.1Å
657	A	86.8	Confident	85.4	Confident	70 Å²	70	72.1 Å²	72.1	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-73.7	-33.7	178.5	0	0	0	0	0	113.1	D655 R661	D655-A657 PolarHBondContact O-N 3.28Å; A657-R661 WeakPolarHBondContact O-CG 3.45Å
658	Y	83.3	Confident	85.2	Confident	35 Å²	35	73.3 Å²	73.3	14%	0.137	37%	0.371	C	S	.	.	H	α-helix	trans	-74.5	-50.7	174.4	174	-105.3	0	0	0	109.9	E472 D655 R660 R661 L662	E472-Y658 HydrophobicContact CB-CE2 4.21Å; E472-Y658 VanDerWaalsContact OE2-CD2 3.29Å; E472-Y658 WeakPolarHBondContact OE2-CD2 3.29Å; E472-Y658 WeakPolarHBondContact OE2-CE2 3.26Å; D655-Y658 WeakPolarHBondContact O-CB 3.44Å; D655-Y658 PolarHBondContact O-N 3.49Å; Y658-R660 PolarHBondContact O-N 3.2Å; Y658-R661 WeakPolarHBondContact O-CB 3.41Å; Y658-R661 PolarHBondContact O-N 3.37Å; Y658-L662 HydrophobicContact CE1-CD2 4.19Å; Y658-L662 PolarHBondContact O-N 2.88Å
659	D	88.1	Confident	84.7	Confident	82 Å²	82	75.6 Å²	75.6	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-52.1	-42.8	176.6	-75.1	-16.6	0	0	0	112.2	D655 R661 L662 A663	D655-D659 PolarHBondContact O-N 3.06Å; D655-D659 VanDerWaalsContact O-N 3.11Å; D659-R661 PolarHBondContact O-N 2.79Å; D659-L662 PolarHBondContact O-N 3.37Å; D659-A663 WeakPolarHBondContact O-CB 3.37Å; D659-A663 PolarHBondContact O-N 3.15Å
660	R	90.3	Very high	84.5	Confident	203 Å²	203	85.1 Å²	85.1	77%	0.766	42%	0.42	S	S	*	.	H	α-helix	trans	-66.7	-33.2	179.2	-174.1	172.8	-179	173.2	0.5	113.4	E656 Y658 H664	E656-R660 VanDerWaalsContact O-CB 3.22Å; E656-R660 WeakPolarHBondContact O-CB 3.29Å; E656-R660 PolarHBondContact O-N 2.97Å; E656-R660 VanDerWaalsContact O-N 3.1Å; Y658-R660 PolarHBondContact O-N 3.2Å; R660-H664 WeakPolarHBondContact O-CB 3.49Å; R660-H664 PolarHBondContact O-N 3.1Å
661	R	86.3	Confident	84.4	Confident	134 Å²	134	94.2 Å²	94.2	51%	0.506	46%	0.455	S	S	.	.	H	α-helix	trans	-73.7	-47.1	173.8	-67.8	173.1	-173.5	175.6	4	110.9	Y471 E472 A657 Y658 D659 A663 H664 H665	Y471-R661 HydrophobicContact CE1-CB 3.62Å; E472-R661 WeakPolarHBondContact OE1-CD 3.34Å; E472-R661 IonicContact OE1-CZ 3.91Å; E472-R661 IonicContact OE1-NH1 2.73Å; E472-R661 PolarHBondContact OE1-NH1 3.45Å; A657-R661 WeakPolarHBondContact O-CG 3.45Å; Y658-R661 WeakPolarHBondContact O-CB 3.41Å; Y658-R661 PolarHBondContact O-N 3.37Å; D659-R661 PolarHBondContact O-N 2.79Å; R661-A663 VanDerWaalsContact C-N 3.34Å; R661-A663 PolarHBondContact O-N 3Å; R661-H664 WeakPolarHBondContact O-CB 3.27Å; R661-H664 PolarHBondContact O-N 3.18Å; R661-H664 VanDerWaalsContact O-N 3.12Å; R661-H665 PolarHBondContact O-N 3.01Å
662	L	86.2	Confident	84	Confident	48 Å²	48	96.2 Å²	96.2	25%	0.251	46%	0.464	S	S	.	.	H	α-helix	trans	-58.8	-46	178.3	178.9	60.8	0	0	0	111	Y658 D659 H664 H665 L666	Y658-L662 HydrophobicContact CE1-CD2 4.19Å; Y658-L662 PolarHBondContact O-N 2.88Å; D659-L662 PolarHBondContact O-N 3.37Å; L662-H664 VanDerWaalsContact C-N 3.35Å; L662-H664 PolarHBondContact O-N 3.31Å; L662-H665 PolarHBondContact O-N 3.46Å; L662-L666 HydrophobicContact CD1-CD1 4.04Å; L662-L666 HydrophobicContact CD1-CG 4.15Å; L662-L666 HydrophobicContact CG-CD1 4Å; L662-L666 HydrophobicContact CG-CG 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.3Å; L662-L666 VanDerWaalsContact O-CG 3.29Å; L662-L666 WeakPolarHBondContact O-CG 3.45Å; L662-L666 PolarHBondContact O-N 3.27Å
663	A	88.8	Confident	83.2	Confident	52 Å²	52	95.5 Å²	95.5	43%	0.43	46%	0.464	S	S	.	.	H	α-helix	trans	-62.1	-39.5	174.9	0	0	0	0	0	112.3	D659 R661 V667	D659-A663 WeakPolarHBondContact O-CB 3.37Å; D659-A663 PolarHBondContact O-N 3.15Å; R661-A663 VanDerWaalsContact C-N 3.34Å; R661-A663 PolarHBondContact O-N 3Å; A663-V667 VanDerWaalsContact O-CB 3.31Å; A663-V667 WeakPolarHBondContact O-CB 3.37Å; A663-V667 WeakPolarHBondContact O-CG2 3.49Å; A663-V667 PolarHBondContact O-N 3.29Å
664	H	89.6	Confident	82.7	Confident	139 Å²	139	102.3 Å²	102.3	64%	0.644	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-47.2	173.8	-173.3	-68	0	0	0	111.5	R660 R661 L662 V667 S668	R660-H664 WeakPolarHBondContact O-CB 3.49Å; R660-H664 PolarHBondContact O-N 3.1Å; R661-H664 WeakPolarHBondContact O-CB 3.27Å; R661-H664 PolarHBondContact O-N 3.18Å; R661-H664 VanDerWaalsContact O-N 3.12Å; L662-H664 VanDerWaalsContact C-N 3.35Å; L662-H664 PolarHBondContact O-N 3.31Å; H664-V667 PolarHBondContact O-N 3.18Å; H664-S668 PolarHBondContact O-N 3.36Å; H664-S668 PolarHBondContact O-OG 3.15Å
665	H	83.9	Confident	81.8	Confident	45 Å²	45	101.2 Å²	101.2	21%	0.208	49%	0.488	C	S	.	.	H	α-helix	trans	-60.3	-50.3	179.4	-169	69.3	0	0	0	111.7	P468 Y471 R661 L662 V667 S668 L669	P468-H665 PolarHBondContact O-NE2 2.96Å; Y471-H665 HydrophobicContact CD2-CB 4.08Å; Y471-H665 AromaticContact CD2-CG 3.78Å; Y471-H665 AromaticContact CD2-ND1 3.97Å; Y471-H665 HydrophobicContact CG-CB 4.28Å; R661-H665 PolarHBondContact O-N 3.01Å; L662-H665 PolarHBondContact O-N 3.46Å; H665-V667 VanDerWaalsContact C-N 3.3Å; H665-V667 PolarHBondContact O-N 3.35Å; H665-S668 WeakPolarHBondContact CA-OG 3.46Å; H665-S668 PolarHBondContact O-N 2.94Å; H665-S668 PolarHBondContact O-OG 3.04Å; H665-L669 WeakPolarHBondContact O-CG 3.25Å; H665-L669 PolarHBondContact O-N 2.73Å; H665-L669 VanDerWaalsContact O-N 3.1Å
666	L	84	Confident	81.1	Confident	78 Å²	78	103.3 Å²	103.3	41%	0.408	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-38.9	177.5	-69.7	173.9	0	0	0	112.1	L662 L669 Y670	L662-L666 HydrophobicContact CD1-CD1 4.04Å; L662-L666 HydrophobicContact CD1-CG 4.15Å; L662-L666 HydrophobicContact CG-CD1 4Å; L662-L666 HydrophobicContact CG-CG 4.49Å; L662-L666 WeakPolarHBondContact O-CB 3.3Å; L662-L666 VanDerWaalsContact O-CG 3.29Å; L662-L666 WeakPolarHBondContact O-CG 3.45Å; L662-L666 PolarHBondContact O-N 3.27Å; L666-L669 HydrophobicContact CD2-CD1 4.42Å; L666-Y670 WeakPolarHBondContact O-CD2 3.2Å
667	V	88.9	Confident	79.9	Confident	79 Å²	79	97 Å²	97	48%	0.479	47%	0.474	S	S	.	.	H	α-helix	trans	-69.1	-41	175.3	168.9	0	0	0	0	111.5	A663 H664 H665 L669 Y670 Y671	A663-V667 VanDerWaalsContact O-CB 3.31Å; A663-V667 WeakPolarHBondContact O-CB 3.37Å; A663-V667 WeakPolarHBondContact O-CG2 3.49Å; A663-V667 PolarHBondContact O-N 3.29Å; H664-V667 PolarHBondContact O-N 3.18Å; H665-V667 VanDerWaalsContact C-N 3.3Å; H665-V667 PolarHBondContact O-N 3.35Å; V667-L669 VanDerWaalsContact C-N 3.31Å; V667-L669 PolarHBondContact O-N 3.24Å; V667-Y670 PolarHBondContact O-N 3.01Å; V667-Y670 VanDerWaalsContact O-N 3.09Å; V667-Y671 HydrophobicContact CG1-CD2 3.72Å; V667-Y671 HydrophobicContact CG1-CE2 3.69Å; V667-Y671 WeakPolarHBondContact O-CD2 3.25Å; V667-Y671 PolarHBondContact O-N 3.48Å
668	S	85.1	Confident	78.6	Confident	44 Å²	44	100.3 Å²	100.3	31%	0.308	48%	0.477	S	S	.	.	H	α-helix	trans	-61.1	-36.7	176.7	38.7	0	0	0	0	113.1	H664 H665 Y670 Y671 Q672	H664-S668 PolarHBondContact O-N 3.36Å; H664-S668 PolarHBondContact O-OG 3.15Å; H665-S668 WeakPolarHBondContact CA-OG 3.46Å; H665-S668 PolarHBondContact O-N 2.94Å; H665-S668 PolarHBondContact O-OG 3.04Å; S668-Y670 PolarHBondContact O-N 2.9Å; S668-Y671 CarbonylContact O-C 3.56Å; S668-Y671 PolarHBondContact O-N 2.93Å; S668-Q672 PolarHBondContact O-N 2.82Å
669	L	81.3	Confident	77.7	Confident	53 Å²	53	105.7 Å²	105.7	28%	0.277	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-25.8	175.3	-65.9	167.5	0	0	0	113.2	H665 L666 V667	H665-L669 WeakPolarHBondContact O-CG 3.25Å; H665-L669 PolarHBondContact O-N 2.73Å; H665-L669 VanDerWaalsContact O-N 3.1Å; L666-L669 HydrophobicContact CD2-CD1 4.42Å; V667-L669 VanDerWaalsContact C-N 3.31Å; V667-L669 PolarHBondContact O-N 3.24Å
670	Y	82.2	Confident	76.5	Confident	207 Å²	207	105.7 Å²	105.7	81%	0.812	50%	0.501	S	S	*	.	H	α-helix	trans	-87.1	-10.3	173.7	-71.9	-69.3	0	0	0	114	L666 V667 S668	L666-Y670 WeakPolarHBondContact O-CD2 3.2Å; V667-Y670 PolarHBondContact O-N 3.01Å; V667-Y670 VanDerWaalsContact O-N 3.09Å; S668-Y670 PolarHBondContact O-N 2.9Å
671	Y	82.6	Confident	75.1	Confident	198 Å²	198	100.9 Å²	100.9	78%	0.776	49%	0.49	S	S	*	.	H	α-helix	trans	-108.1	-6.8	176.7	-80.7	-71.5	0	0	0	113.5	V667 S668	V667-Y671 HydrophobicContact CG1-CD2 3.72Å; V667-Y671 HydrophobicContact CG1-CE2 3.69Å; V667-Y671 WeakPolarHBondContact O-CD2 3.25Å; V667-Y671 PolarHBondContact O-N 3.48Å; S668-Y671 CarbonylContact O-C 3.56Å; S668-Y671 PolarHBondContact O-N 2.93Å
672	Q	73.9	Confident	73.8	Confident	61 Å²	61	99.7 Å²	99.7	29%	0.285	49%	0.493	S	S	.	.			trans	-64.7	136.1	-178.5	-172.3	163	-10.2	0	0	111.4	S668 Q676 E680	S668-Q672 PolarHBondContact O-N 2.82Å; Q672-Q676 HydrophobicContact CG-CB 3.85Å; Q672-E680 PolarHBondContact NE2-OE1 3.31Å
673	S	66.6	Low	73	Confident	50 Å²	50	99.5 Å²	99.5	35%	0.35	49%	0.492	S	S	.	.			trans	-81.1	154.4	178.4	55.1	0	0	0	0	111.9	E675 Q676 A677	S673-E675 PolarHBondContact O-N 2.91Å; S673-Q676 PolarHBondContact O-N 2.95Å; S673-A677 PolarHBondContact O-N 3.25Å
674	E	63.2	Low	72.2	Confident	170 Å²	170	99.5 Å²	99.5	79%	0.794	48%	0.484	S	S	*	.	H	α-helix	trans	-56.6	-34.6	179.7	-63.1	179.3	139	0	0	111.9	Q676 A677 E678	E674-Q676 VanDerWaalsContact C-N 3.3Å; E674-Q676 PolarHBondContact O-N 2.9Å; E674-A677 WeakPolarHBondContact O-CA 2.94Å; E674-A677 WeakPolarHBondContact O-CB 3.25Å; E674-A677 PolarHBondContact O-N 3.11Å; E674-E678 PolarHBondContact O-N 3.35Å
675	E	60.3	Low	71.6	Confident	146 Å²	146	94.4 Å²	94.4	68%	0.682	47%	0.466	S	S	*	.	H	α-helix	trans	-53.8	-40.4	174.8	-60	169.9	146.9	0	0	113.2	S673 E678 E679	S673-E675 PolarHBondContact O-N 2.91Å; E675-E678 PolarHBondContact O-N 2.82Å; E675-E679 PolarHBondContact O-N 2.98Å
676	Q	65.3	Low	71.4	Confident	101 Å²	101	94.1 Å²	94.1	47%	0.472	47%	0.467	S	S	.	.	H	α-helix	trans	-76.2	-28.2	178.9	-66.3	-175	-14.7	0	0	111.9	Q672 S673 E674 E678 E680	Q672-Q676 HydrophobicContact CG-CB 3.85Å; S673-Q676 PolarHBondContact O-N 2.95Å; E674-Q676 VanDerWaalsContact C-N 3.3Å; E674-Q676 PolarHBondContact O-N 2.9Å; Q676-E678 VanDerWaalsContact C-N 3.34Å; Q676-E680 PolarHBondContact O-N 3.25Å; Q676-E680 VanDerWaalsContact O-N 3.17Å
677	A	60.8	Low	71.3	Confident	42 Å²	42	90.6 Å²	90.6	35%	0.347	45%	0.449	S	S	.	.	H	α-helix	trans	-71	-30.4	171.1	0	0	0	0	0	111.8	S673 E674 E680 L681	S673-A677 PolarHBondContact O-N 3.25Å; E674-A677 WeakPolarHBondContact O-CA 2.94Å; E674-A677 WeakPolarHBondContact O-CB 3.25Å; E674-A677 PolarHBondContact O-N 3.11Å; A677-E680 PolarHBondContact O-N 2.9Å; A677-L681 WeakPolarHBondContact O-CB 3.44Å; A677-L681 WeakPolarHBondContact O-CD1 3.34Å; A677-L681 WeakPolarHBondContact O-CG 3.31Å; A677-L681 PolarHBondContact O-N 3.4Å
678	E	60.4	Low	70.9	Confident	140 Å²	140	87.8 Å²	87.8	65%	0.654	43%	0.43	S	S	*	.	H	α-helix	trans	-67.2	-39.1	172.7	-68.3	-170.1	157.2	0	0	112.3	E674 E675 Q676 L681 L682	E674-E678 PolarHBondContact O-N 3.35Å; E675-E678 PolarHBondContact O-N 2.82Å; Q676-E678 VanDerWaalsContact C-N 3.34Å; E678-L681 PolarHBondContact O-N 3.07Å; E678-L682 PolarHBondContact O-N 3.22Å; E678-L682 VanDerWaalsContact O-N 3.13Å
679	E	64.7	Low	70.7	Confident	148 Å²	148	86.4 Å²	86.4	69%	0.692	42%	0.419	S	S	*	.	H	α-helix	trans	-63.6	-43.7	172.1	-68.1	-168.7	153.8	0	0	112.3	E675 L681 L682 D683	E675-E679 PolarHBondContact O-N 2.98Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.12Å; E679-L682 PolarHBondContact O-N 2.94Å; E679-D683 PolarHBondContact O-N 3.13Å
680	E	62.9	Low	71	Confident	81 Å²	81	84 Å²	84	38%	0.379	41%	0.406	S	S	.	.	H	α-helix	trans	-62.7	-37.8	174.9	-74.1	-179.3	-153.8	0	0	112.7	P468 Q672 Q676 A677 L682 M684	P468-E680 WeakPolarHBondContact CG-OE2 3.45Å; Q672-E680 PolarHBondContact NE2-OE1 3.31Å; Q676-E680 PolarHBondContact O-N 3.25Å; Q676-E680 VanDerWaalsContact O-N 3.17Å; A677-E680 PolarHBondContact O-N 2.9Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 2.88Å; E680-M684 WeakPolarHBondContact O-CB 3.28Å; E680-M684 PolarHBondContact O-N 3.39Å; E680-M684 VanDerWaalsContact O-N 3.09Å
681	L	60.1	Low	71.1	Confident	102 Å²	102	74.3 Å²	74.3	53%	0.534	37%	0.369	S	S	.	.	H	α-helix	trans	-65.2	-34.5	176.2	-77.8	165.7	0	0	0	112.3	A677 E678 E679 M684 A685	A677-L681 WeakPolarHBondContact O-CB 3.44Å; A677-L681 WeakPolarHBondContact O-CD1 3.34Å; A677-L681 WeakPolarHBondContact O-CG 3.31Å; A677-L681 PolarHBondContact O-N 3.4Å; E678-L681 PolarHBondContact O-N 3.07Å; E679-L681 VanDerWaalsContact C-N 3.34Å; E679-L681 PolarHBondContact O-N 3.12Å; L681-M684 HydrophobicContact CD2-CE 3.84Å; L681-A685 PolarHBondContact O-N 2.73Å
682	L	59.8	Low	71.1	Confident	109 Å²	109	65.8 Å²	65.8	57%	0.571	34%	0.34	S	S	*	.	H	α-helix	trans	-70	-46	178.3	-167.8	71.6	0	0	0	112	E678 E679 E680 M684 A685 V686	E678-L682 PolarHBondContact O-N 3.22Å; E678-L682 VanDerWaalsContact O-N 3.13Å; E679-L682 PolarHBondContact O-N 2.94Å; E680-L682 VanDerWaalsContact C-N 3.32Å; E680-L682 PolarHBondContact O-N 2.88Å; L682-M684 VanDerWaalsContact C-N 3.26Å; L682-M684 PolarHBondContact O-N 3.02Å; L682-A685 WeakPolarHBondContact O-CB 3.48Å; L682-A685 PolarHBondContact O-N 3.39Å; L682-A685 VanDerWaalsContact O-N 3.12Å; L682-V686 PolarHBondContact O-N 2.62Å
683	D	68.5	Low	71.6	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-34.1	175.8	-153.6	64.6	0	0	0	110.3	R461 E679 V686 L687	R461-D683 IonicContact CZ-OD1 3.94Å; R461-D683 IonicContact NE-OD1 3.51Å; R461-D683 IonicContact NH2-OD1 3.03Å; R461-D683 PolarHBondContact NH2-OD1 3.26Å; R461-D683 IonicContact NH2-OD2 3.24Å; E679-D683 PolarHBondContact O-N 3.13Å; D683-V686 PolarHBondContact O-N 3.12Å; D683-L687 WeakPolarHBondContact O-CB 3.43Å; D683-L687 PolarHBondContact O-N 3.43Å
684	M	72.2	Confident	72.6	Confident	52 Å²	52	61.8 Å²	61.8	26%	0.256	31%	0.314	S	S	.	.	H	α-helix	trans	-69.4	-28.7	173.1	-173.2	171	54.8	0	0	113.7	L526 E680 L681 L682 K688	L526-M684 HydrophobicContact CD1-SD 4.38Å; E680-M684 WeakPolarHBondContact O-CB 3.28Å; E680-M684 PolarHBondContact O-N 3.39Å; E680-M684 VanDerWaalsContact O-N 3.09Å; L681-M684 HydrophobicContact CD2-CE 3.84Å; L682-M684 VanDerWaalsContact C-N 3.26Å; L682-M684 PolarHBondContact O-N 3.02Å; M684-K688 VanDerWaalsContact O-CG 3.28Å; M684-K688 WeakPolarHBondContact O-CG 3.48Å; M684-K688 PolarHBondContact O-N 3.31Å
685	A	76.1	Confident	73.4	Confident	32 Å²	32	57.1 Å²	57.1	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-66.4	-48.1	170.8	0	0	0	0	0	110.7	L681 L682 L687 K688 D689	L681-A685 PolarHBondContact O-N 2.73Å; L682-A685 WeakPolarHBondContact O-CB 3.48Å; L682-A685 PolarHBondContact O-N 3.39Å; L682-A685 VanDerWaalsContact O-N 3.12Å; A685-L687 VanDerWaalsContact C-N 3.32Å; A685-L687 PolarHBondContact O-N 2.9Å; A685-K688 WeakPolarHBondContact O-CB 3.24Å; A685-K688 PolarHBondContact O-N 3.15Å; A685-D689 PolarHBondContact O-N 2.94Å
686	V	81	Confident	74.3	Confident	38 Å²	38	52.2 Å²	52.2	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-62.1	-38.1	177.3	178.2	0	0	0	0	111.9	L449 L452 L682 D683 K688 D689 Y690	L449-V686 HydrophobicContact CD2-CG1 4.17Å; L452-V686 HydrophobicContact CD1-CG1 3.5Å; L452-V686 VanDerWaalsContact CD1-CG1 3.5Å; L682-V686 PolarHBondContact O-N 2.62Å; D683-V686 PolarHBondContact O-N 3.12Å; V686-K688 VanDerWaalsContact C-N 3.27Å; V686-K688 PolarHBondContact O-N 3.31Å; V686-D689 PolarHBondContact O-N 2.84Å; V686-Y690 WeakPolarHBondContact O-CB 3.19Å; V686-Y690 PolarHBondContact O-N 2.91Å
687	L	82.3	Confident	75.1	Confident	5 Å²	5	50.4 Å²	50.4	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-57	-37.4	172.6	174.4	65.3	0	0	0	112.5	L462 D683 A685 I691	L462-L687 HydrophobicContact CB-CD1 4.48Å; L462-L687 HydrophobicContact CD2-CD1 3.75Å; D683-L687 WeakPolarHBondContact O-CB 3.43Å; D683-L687 PolarHBondContact O-N 3.43Å; A685-L687 VanDerWaalsContact C-N 3.32Å; A685-L687 PolarHBondContact O-N 2.9Å; L687-I691 HydrophobicContact CD1-CD1 3.82Å; L687-I691 HydrophobicContact CD1-CG1 4.34Å; L687-I691 HydrophobicContact CG-CD1 4.04Å; L687-I691 WeakPolarHBondContact O-CG1 3.23Å; L687-I691 PolarHBondContact O-N 2.67Å
688	K	79.3	Confident	76.3	Confident	19 Å²	19	48.9 Å²	48.9	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-69.5	-47.8	179.2	-65.8	162.3	179.5	-146.6	0	111.8	A426 K427 R428 L429 M684 A685 V686 Y690 I691 A692	A426-K688 PolarHBondContact O-NZ 3.04Å; K427-K688 PolarHBondContact O-NZ 3.07Å; R428-K688 WeakPolarHBondContact O-CD 3.46Å; R428-K688 WeakPolarHBondContact O-CE 3.5Å; R428-K688 PolarHBondContact O-NZ 2.9Å; L429-K688 HydrophobicContact CD2-CB 4.11Å; L429-K688 HydrophobicContact CD2-CG 3.81Å; L429-K688 HydrophobicContact CG-CG 4.5Å; M684-K688 VanDerWaalsContact O-CG 3.28Å; M684-K688 WeakPolarHBondContact O-CG 3.48Å; M684-K688 PolarHBondContact O-N 3.31Å; A685-K688 WeakPolarHBondContact O-CB 3.24Å; A685-K688 PolarHBondContact O-N 3.15Å; V686-K688 VanDerWaalsContact C-N 3.27Å; V686-K688 PolarHBondContact O-N 3.31Å; K688-Y690 VanDerWaalsContact C-N 3.25Å; K688-Y690 PolarHBondContact O-N 2.95Å; K688-I691 PolarHBondContact O-N 2.76Å; K688-A692 WeakPolarHBondContact O-CB 3.16Å; K688-A692 PolarHBondContact O-N 3.2Å
689	D	82.1	Confident	77.5	Confident	15 Å²	15	47.8 Å²	47.8	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-42.1	175.4	-65.1	-16.9	0	0	0	110.9	F441 R445 L449 A685 V686 A692 Y693	F441-D689 HydrophobicContact CZ-CB 4.1Å; R445-D689 WeakPolarHBondContact CD-OD2 3.46Å; R445-D689 IonicContact CZ-OD2 2.65Å; R445-D689 IonicContact NE-OD2 3Å; R445-D689 PolarHBondContact NE-OD2 3.4Å; R445-D689 IonicContact NH2-OD2 3.16Å; L449-D689 HydrophobicContact CD1-CB 4.2Å; L449-D689 HydrophobicContact CD2-CB 4.15Å; A685-D689 PolarHBondContact O-N 2.94Å; V686-D689 PolarHBondContact O-N 2.84Å; D689-A692 PolarHBondContact O-N 3.48Å; D689-Y693 VanDerWaalsContact O-CB 3.24Å; D689-Y693 WeakPolarHBondContact O-CB 3.33Å; D689-Y693 PolarHBondContact O-N 3.06Å
690	Y	86.2	Confident	78.8	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-45.7	179.4	-162.4	-79.1	0	0	0	112.3	L449 L452 S453 L462 F485 V686 K688 A694 V747 L749	L449-Y690 HydrophobicContact CB-CD2 4.31Å; L449-Y690 HydrophobicContact CD2-CD2 3.75Å; L449-Y690 HydrophobicContact CD2-CG 4.24Å; L452-Y690 HydrophobicContact CB-CE2 4.29Å; S453-Y690 WeakPolarHBondContact CB-OH 3.33Å; L462-Y690 HydrophobicContact CD1-CD1 4.21Å; L462-Y690 HydrophobicContact CD1-CE1 4.01Å; F485-Y690 HydrophobicContact CE1-CD1 4.07Å; F485-Y690 HydrophobicContact CE1-CE1 4.31Å; F485-Y690 AromaticContact CZ-CD1 3.83Å; F485-Y690 HydrophobicContact CZ-CD1 3.83Å; F485-Y690 HydrophobicContact CZ-CE1 4.02Å; V686-Y690 WeakPolarHBondContact O-CB 3.19Å; V686-Y690 PolarHBondContact O-N 2.91Å; K688-Y690 VanDerWaalsContact C-N 3.25Å; K688-Y690 PolarHBondContact O-N 2.95Å; Y690-A694 VanDerWaalsContact O-CB 3.29Å; Y690-A694 WeakPolarHBondContact O-CB 3.41Å; Y690-A694 PolarHBondContact O-N 2.85Å; Y690-V747 VanDerWaalsContact CE1-O 3.25Å; Y690-V747 WeakPolarHBondContact CE1-O 3.42Å; Y690-V747 PolarHBondContact OH-O 3.43Å; Y690-L749 HydrophobicContact CE1-CD2 4.3Å; Y690-L749 HydrophobicContact CE1-CG 4.43Å; Y690-L749 HydrophobicContact CE2-CD1 4.25Å
691	I	85.6	Confident	80.1	Confident	5 Å²	5	44.9 Å²	44.9	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-43.9	176.5	-71.2	166.1	0	0	0	110.8	L429 L484 F485 L687 K688 A694 H695	L429-I691 HydrophobicContact CD2-CB 4.06Å; L429-I691 HydrophobicContact CD2-CD1 3.67Å; L429-I691 HydrophobicContact CD2-CG1 4.45Å; L429-I691 HydrophobicContact CD2-CG2 4.13Å; L484-I691 HydrophobicContact CB-CD1 4.41Å; L484-I691 HydrophobicContact CD1-CD1 4.28Å; F485-I691 HydrophobicContact CD1-CG1 4.47Å; F485-I691 HydrophobicContact CE1-CB 4.34Å; F485-I691 HydrophobicContact CE1-CG1 3.82Å; F485-I691 HydrophobicContact CE2-CG1 4.33Å; F485-I691 HydrophobicContact CZ-CG1 3.74Å; L687-I691 HydrophobicContact CD1-CD1 3.82Å; L687-I691 HydrophobicContact CD1-CG1 4.34Å; L687-I691 HydrophobicContact CG-CD1 4.04Å; L687-I691 WeakPolarHBondContact O-CG1 3.23Å; L687-I691 PolarHBondContact O-N 2.67Å; K688-I691 PolarHBondContact O-N 2.76Å; I691-A694 PolarHBondContact O-N 3Å; I691-H695 PolarHBondContact O-CD2 2.95Å; I691-H695 VanDerWaalsContact O-CD2 3.27Å; I691-H695 PolarHBondContact O-N 3.05Å; I691-H695 VanDerWaalsContact O-N 3.16Å
692	A	82.1	Confident	81.6	Confident	19 Å²	19	43 Å²	43	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-61.3	-49.1	177.7	0	0	0	0	0	112	H430 F441 K688 D689 A694 H695 S696	H430-A692 HydrophobicContact CB-CB 4.1Å; F441-A692 HydrophobicContact CE2-CB 4.38Å; F441-A692 HydrophobicContact CZ-CB 4.2Å; K688-A692 WeakPolarHBondContact O-CB 3.16Å; K688-A692 PolarHBondContact O-N 3.2Å; D689-A692 PolarHBondContact O-N 3.48Å; A692-A694 VanDerWaalsContact C-N 3.33Å; A692-A694 PolarHBondContact O-N 3.47Å; A692-H695 PolarHBondContact O-N 3.26Å; A692-S696 PolarHBondContact O-N 2.95Å; A692-S696 PolarHBondContact O-OG 3.14Å
693	Y	84.9	Confident	83.2	Confident	26 Å²	26	39.3 Å²	39.3	10%	0.102	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-38.1	178.5	-177.9	-89.1	0	0	0	112.8	F441 V446 L449 K450 D689 S696 T697 L749	F441-Y693 HydrophobicContact CD2-CD2 4.33Å; V446-Y693 HydrophobicContact CB-CE2 4.48Å; V446-Y693 HydrophobicContact CG1-CE2 3.8Å; V446-Y693 HydrophobicContact CG2-CD2 4.29Å; V446-Y693 HydrophobicContact CG2-CE2 3.97Å; L449-Y693 HydrophobicContact CD1-CD2 4.41Å; L449-Y693 HydrophobicContact CD1-CG 4.11Å; K450-Y693 VanDerWaalsContact CE-OH 3.31Å; K450-Y693 WeakPolarHBondContact CE-OH 3.33Å; D689-Y693 VanDerWaalsContact O-CB 3.24Å; D689-Y693 WeakPolarHBondContact O-CB 3.33Å; D689-Y693 PolarHBondContact O-N 3.06Å; Y693-S696 PolarHBondContact O-OG 2.91Å; Y693-T697 VanDerWaalsContact O-CB 3.28Å; Y693-T697 WeakPolarHBondContact O-CB 3.26Å; Y693-T697 PolarHBondContact O-N 2.98Å; Y693-T697 VanDerWaalsContact O-N 3.14Å; Y693-T697 PolarHBondContact O-OG1 2.83Å; Y693-L749 HydrophobicContact CD1-CD1 4.12Å; Y693-L749 HydrophobicContact CD1-CD2 4.08Å; Y693-L749 HydrophobicContact CE1-CD1 4.01Å; Y693-L749 HydrophobicContact CE1-CD2 4.41Å
694	A	85.9	Confident	84.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-32.1	177.9	0	0	0	0	0	113.3	F485 Y690 I691 A692 L749	F485-A694 HydrophobicContact CD1-CB 3.73Å; F485-A694 HydrophobicContact CE1-CB 3.54Å; Y690-A694 VanDerWaalsContact O-CB 3.29Å; Y690-A694 WeakPolarHBondContact O-CB 3.41Å; Y690-A694 PolarHBondContact O-N 2.85Å; I691-A694 PolarHBondContact O-N 3Å; A692-A694 VanDerWaalsContact C-N 3.33Å; A692-A694 PolarHBondContact O-N 3.47Å; A694-L749 HydrophobicContact CB-CD2 3.66Å
695	H	81	Confident	85.3	Confident	73 Å²	73	50.1 Å²	50.1	34%	0.338	25%	0.254	S	S	.	.	H	α-helix	trans	-72.3	-41.9	179	-89.9	-70.2	0	0	0	113.3	L484 F485 I691 A692	L484-H695 PolarHBondContact O-NE2 3.1Å; F485-H695 PolarHBondContact O-CE1 3.41Å; I691-H695 PolarHBondContact O-CD2 2.95Å; I691-H695 VanDerWaalsContact O-CD2 3.27Å; I691-H695 PolarHBondContact O-N 3.05Å; I691-H695 VanDerWaalsContact O-N 3.16Å; A692-H695 PolarHBondContact O-N 3.26Å
696	S	78.3	Confident	86.1	Confident	43 Å²	43	48.6 Å²	48.6	30%	0.301	24%	0.241	S	C	.	.	H	α-helix	trans	-79.7	-42.7	-178.6	59.1	0	0	0	0	112.9	Q438 A692 Y693	Q438-S696 VanDerWaalsContact CD-OG 3.24Å; Q438-S696 PolarHBondContact OE1-OG 3.34Å; A692-S696 PolarHBondContact O-N 2.95Å; A692-S696 PolarHBondContact O-OG 3.14Å; Y693-S696 PolarHBondContact O-OG 2.91Å
697	T	82.6	Confident	86.7	Confident	62 Å²	62	49.4 Å²	49.4	38%	0.38	25%	0.248	S	C	.	.	H	α-helix	trans	-90.2	-25.2	-165.6	-35.9	0	0	0	0	113.7	Y693	Y693-T697 VanDerWaalsContact O-CB 3.28Å; Y693-T697 WeakPolarHBondContact O-CB 3.26Å; Y693-T697 PolarHBondContact O-N 2.98Å; Y693-T697 VanDerWaalsContact O-N 3.14Å; Y693-T697 PolarHBondContact O-OG1 2.83Å
698	I	85.5	Confident	87.2	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	27%	0.269	C	S	.	.			trans	-118.7	114.8	-162.7	-56.8	-60.1	0	0	0	112.4	K746 L749 S750	I698-K746 HydrophobicContact CG2-CG 4.42Å; I698-L749 HydrophobicContact CD1-CB 4.33Å; I698-L749 HydrophobicContact CG1-CB 4.23Å; I698-L749 HydrophobicContact CG1-CD2 3.97Å; I698-S750 WeakPolarHBondContact CG2-O 3.23Å
699	M	87.2	Confident	87.9	Confident	118 Å²	118	54.2 Å²	54.2	58%	0.581	28%	0.275	S	S	*	.			trans	-123.9	80.1	179.1	-69.5	-169.2	-74.3	0	0	111.3	R701	M699-R701 PolarHBondContact O-N 2.62Å
700	P	91.3	Very high	88.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.			trans	-57.6	135	-176.2	17	-29.6	0	0	0	113.3	T488 E742 A745 K746 N751 V753	T488-P700 VanDerWaalsContact CG2-CD 3.46Å; T488-P700 HydrophobicContact CG2-CG 3.64Å; P700-E742 HydrophobicContact CG-CB 4.28Å; P700-E742 HydrophobicContact CG-CG 4.44Å; P700-E742 WeakPolarHBondContact CG-O 3.25Å; P700-A745 HydrophobicContact CB-CB 3.74Å; P700-A745 HydrophobicContact CG-CB 4.03Å; P700-K746 HydrophobicContact CG-CG 4.07Å; P700-N751 WeakPolarHBondContact CA-O 3.35Å; P700-V753 HydrophobicContact CB-CG2 3.9Å
701	R	90.4	Very high	88.7	Confident	168 Å²	168	57.5 Å²	57.5	63%	0.634	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.1	169.6	-60.7	-62.8	-179.9	150.2	-3.9	109.8	M699 N751 K752 V753	M699-R701 PolarHBondContact O-N 2.62Å; R701-N751 PolarHBondContact N-O 2.82Å; R701-N751 VanDerWaalsContact N-O 3.08Å; R701-K752 CarbonylContact O-C 3.55Å; R701-K752 WeakPolarHBondContact O-CA 3.48Å; R701-V753 PolarHBondContact O-N 3.39Å
702	L	90.5	Very high	89	Confident	61 Å²	61	62.3 Å²	62.3	32%	0.319	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	137.2	177.4	-72.6	78.5	0	0	0	110.4	L710 I738 E742 V753	L702-L710 HydrophobicContact CD2-CD1 3.75Å; L702-I738 HydrophobicContact CD1-CG2 4.41Å; L702-I738 HydrophobicContact CD2-CG1 4.42Å; L702-E742 WeakPolarHBondContact CD1-OE1 3.47Å; L702-V753 HydrophobicContact CG-CG2 4.45Å
703	S	94	Very high	89.3	Confident	33 Å²	33	61.6 Å²	61.6	23%	0.231	31%	0.308	C	S	.	.			trans	-81.5	163.7	163.7	61.7	0	0	0	0	111.2	A706 S707 V753	S703-A706 WeakPolarHBondContact OG-CB 3.4Å; S703-A706 PolarHBondContact OG-N 3.05Å; S703-A706 VanDerWaalsContact OG-N 3.14Å; S703-S707 WeakPolarHBondContact O-CB 3.38Å; S703-S707 PolarHBondContact O-N 3.49Å; S703-V753 VanDerWaalsContact CB-O 3.28Å; S703-V753 WeakPolarHBondContact CB-O 3.43Å; S703-V753 PolarHBondContact N-O 2.75Å; S703-V753 PolarHBondContact OG-O 3.3Å
704	E	91.9	Very high	89.4	Confident	178 Å²	178	61.8 Å²	61.8	83%	0.832	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-42.2	174.3	-171.6	169.1	-171.9	0	0	111.4	S707 Q708	E704-S707 WeakPolarHBondContact O-CB 3.38Å; E704-S707 PolarHBondContact O-N 3.15Å; E704-S707 VanDerWaalsContact O-N 3.12Å; E704-Q708 PolarHBondContact O-N 3.37Å
705	E	93.3	Very high	89.6	Confident	146 Å²	146	65 Å²	65	68%	0.682	33%	0.329	S	S	*	.	H	α-helix	trans	-58.7	-48.6	174.9	-62	177.2	176.3	0	0	112.1	S707 Q708 A709	E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 3.18Å; E705-Q708 PolarHBondContact O-N 3.48Å; E705-A709 PolarHBondContact O-N 2.71Å
706	A	93.6	Very high	89.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-35.2	175.2	0	0	0	0	0	111.9	S703 A709 L710 V753 V758	S703-A706 WeakPolarHBondContact OG-CB 3.4Å; S703-A706 PolarHBondContact OG-N 3.05Å; S703-A706 VanDerWaalsContact OG-N 3.14Å; A706-A709 PolarHBondContact O-N 3.43Å; A706-L710 WeakPolarHBondContact O-CB 3.42Å; A706-L710 WeakPolarHBondContact O-CD1 3.39Å; A706-L710 VanDerWaalsContact O-CG 3.27Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 2.93Å; A706-V753 HydrophobicContact CB-CB 4.46Å; A706-V753 HydrophobicContact CB-CG1 4.19Å; A706-V758 HydrophobicContact CB-CG2 3.85Å
707	S	92.5	Very high	89.8	Confident	54 Å²	54	63.7 Å²	63.7	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177.2	-164.2	0	0	0	0	112.1	S703 E704 E705 L710 I711	S703-S707 WeakPolarHBondContact O-CB 3.38Å; S703-S707 PolarHBondContact O-N 3.49Å; E704-S707 WeakPolarHBondContact O-CB 3.38Å; E704-S707 PolarHBondContact O-N 3.15Å; E704-S707 VanDerWaalsContact O-N 3.12Å; E705-S707 VanDerWaalsContact C-N 3.28Å; E705-S707 PolarHBondContact O-N 3.18Å; S707-L710 PolarHBondContact O-N 2.94Å; S707-I711 WeakPolarHBondContact O-CG1 3.46Å; S707-I711 PolarHBondContact O-N 2.94Å
708	Q	93.4	Very high	89.7	Confident	100 Å²	100	67.7 Å²	67.7	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-46	175.1	-176.2	61.2	21.4	0	0	111.6	E704 E705 L710 I711 E712	E704-Q708 PolarHBondContact O-N 3.37Å; E705-Q708 PolarHBondContact O-N 3.48Å; Q708-L710 VanDerWaalsContact C-N 3.29Å; Q708-L710 PolarHBondContact O-N 2.91Å; Q708-I711 PolarHBondContact O-N 3.49Å; Q708-I711 VanDerWaalsContact O-N 3.12Å; Q708-E712 PolarHBondContact NE2-OE1 3Å; Q708-E712 PolarHBondContact O-N 3.42Å
709	A	93.3	Very high	89.5	Confident	25 Å²	25	73.7 Å²	73.7	21%	0.207	35%	0.354	C	S	.	.	H	α-helix	trans	-59	-38	176.9	0	0	0	0	0	112.8	E705 A706 E712 A713 V758	E705-A709 PolarHBondContact O-N 2.71Å; A706-A709 PolarHBondContact O-N 3.43Å; A709-E712 PolarHBondContact O-N 3.35Å; A709-A713 VanDerWaalsContact O-CB 3.27Å; A709-A713 WeakPolarHBondContact O-CB 3.32Å; A709-A713 PolarHBondContact O-N 2.88Å; A709-V758 HydrophobicContact CB-CB 4.39Å; A709-V758 HydrophobicContact CB-CG1 4Å
710	L	93.3	Very high	88.9	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-39.5	175.1	-79.8	163.8	0	0	0	112.7	L702 A706 S707 Q708 Y714 L734 L737 I738 V758	L702-L710 HydrophobicContact CD2-CD1 3.75Å; A706-L710 WeakPolarHBondContact O-CB 3.42Å; A706-L710 WeakPolarHBondContact O-CD1 3.39Å; A706-L710 VanDerWaalsContact O-CG 3.27Å; A706-L710 WeakPolarHBondContact O-CG 3.44Å; A706-L710 PolarHBondContact O-N 2.93Å; S707-L710 PolarHBondContact O-N 2.94Å; Q708-L710 VanDerWaalsContact C-N 3.29Å; Q708-L710 PolarHBondContact O-N 2.91Å; L710-Y714 WeakPolarHBondContact O-CB 2.9Å; L710-Y714 PolarHBondContact O-N 3.19Å; L710-L734 HydrophobicContact CB-CD1 4.1Å; L710-L734 HydrophobicContact CD2-CD1 4.46Å; L710-L737 HydrophobicContact CD2-CB 3.66Å; L710-I738 HydrophobicContact CD1-CG1 3.84Å; L710-I738 HydrophobicContact CD2-CG1 4.36Å; L710-V758 HydrophobicContact CD1-CG2 4.22Å; L710-V758 HydrophobicContact CD2-CG1 3.77Å; L710-V758 HydrophobicContact CD2-CG2 4.21Å; L710-V758 HydrophobicContact CG-CB 4.46Å; L710-V758 HydrophobicContact CG-CG1 3.74Å; L710-V758 HydrophobicContact CG-CG2 3.8Å
711	I	92.9	Very high	87.8	Confident	83 Å²	83	72 Å²	72	43%	0.426	35%	0.349	S	S	.	.	H	α-helix	trans	-65.1	-47.1	177.5	-68.2	163.5	0	0	0	110	S707 Q708 Y714 V715	S707-I711 WeakPolarHBondContact O-CG1 3.46Å; S707-I711 PolarHBondContact O-N 2.94Å; Q708-I711 PolarHBondContact O-N 3.49Å; Q708-I711 VanDerWaalsContact O-N 3.12Å; I711-Y714 PolarHBondContact O-N 2.95Å; I711-V715 WeakPolarHBondContact O-CB 3.48Å; I711-V715 WeakPolarHBondContact O-CG2 3.43Å; I711-V715 PolarHBondContact O-N 3.42Å
712	E	91	Very high	86.7	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-64.2	-45.7	179.5	-69.5	175.9	-166.4	0	0	111.6	Q708 A709 Y714 V715 D716	Q708-E712 PolarHBondContact NE2-OE1 3Å; Q708-E712 PolarHBondContact O-N 3.42Å; A709-E712 PolarHBondContact O-N 3.35Å; E712-Y714 PolarHBondContact O-N 3.15Å; E712-V715 PolarHBondContact O-N 3.4Å; E712-D716 PolarHBondContact O-N 2.94Å
713	A	88.3	Confident	85.4	Confident	4 Å²	4	67.2 Å²	67.2	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-44.1	175.3	0	0	0	0	0	112.7	A709 D716 M717 K762	A709-A713 VanDerWaalsContact O-CB 3.27Å; A709-A713 WeakPolarHBondContact O-CB 3.32Å; A709-A713 PolarHBondContact O-N 2.88Å; A713-D716 PolarHBondContact O-N 2.71Å; A713-M717 WeakPolarHBondContact O-CG 3.38Å; A713-M717 PolarHBondContact O-N 2.85Å; A713-K762 HydrophobicContact CB-CD 3.89Å; A713-K762 HydrophobicContact CB-CG 4.29Å
714	Y	88.3	Confident	83.5	Confident	30 Å²	30	76.9 Å²	76.9	12%	0.118	38%	0.378	C	S	.	.	H	α-helix	trans	-66.1	-40.3	176.9	172.2	-109.6	0	0	0	112.6	L710 I711 E712 D716 M717 R718 L734	L710-Y714 WeakPolarHBondContact O-CB 2.9Å; L710-Y714 PolarHBondContact O-N 3.19Å; I711-Y714 PolarHBondContact O-N 2.95Å; E712-Y714 PolarHBondContact O-N 3.15Å; Y714-D716 VanDerWaalsContact C-N 3.33Å; Y714-D716 PolarHBondContact O-N 3.11Å; Y714-M717 PolarHBondContact O-N 3.31Å; Y714-R718 WeakPolarHBondContact O-CB 3.47Å; Y714-R718 PolarHBondContact O-N 3.09Å; Y714-L734 HydrophobicContact CD1-CD2 4.42Å; Y714-L734 HydrophobicContact CD2-CB 4.03Å; Y714-L734 HydrophobicContact CG-CB 4.18Å; Y714-L734 HydrophobicContact CG-CD2 4.46Å
715	V	88.9	Confident	81.7	Confident	67 Å²	67	69.9 Å²	69.9	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-41	175.3	165.1	0	0	0	0	111	I711 E712 R718 K719	I711-V715 WeakPolarHBondContact O-CB 3.48Å; I711-V715 WeakPolarHBondContact O-CG2 3.43Å; I711-V715 PolarHBondContact O-N 3.42Å; E712-V715 PolarHBondContact O-N 3.4Å; V715-R718 PolarHBondContact O-N 3.09Å; V715-K719 WeakPolarHBondContact O-CG 3.33Å; V715-K719 PolarHBondContact O-N 2.66Å
716	D	83.8	Confident	80.2	Confident	71 Å²	71	64.5 Å²	64.5	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-43.2	177.3	-78.2	-11	0	0	0	113.1	E712 A713 Y714 R718 K719 I720	E712-D716 PolarHBondContact O-N 2.94Å; A713-D716 PolarHBondContact O-N 2.71Å; Y714-D716 VanDerWaalsContact C-N 3.33Å; Y714-D716 PolarHBondContact O-N 3.11Å; D716-R718 PolarHBondContact O-N 3.41Å; D716-K719 WeakPolarHBondContact O-CB 3.49Å; D716-K719 PolarHBondContact O-N 3.15Å; D716-K719 VanDerWaalsContact O-N 3.11Å; D716-K719 WeakPolarHBondContact OD1-CD 3.46Å; D716-K719 WeakPolarHBondContact OD1-CE 3.38Å; D716-K719 IonicContact OD1-NZ 2.59Å; D716-K719 PolarHBondContact OD1-NZ 3.06Å; D716-I720 WeakPolarHBondContact O-CG1 3.42Å; D716-I720 PolarHBondContact O-N 3.03Å
717	M	79.1	Confident	78.8	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.089	34%	0.342	C	S	.	.	H	α-helix	trans	-55.7	-36.7	171.4	-73.4	-175.3	-176.9	0	0	111.6	A713 Y714 I720 G721 L737 K762 H765	A713-M717 WeakPolarHBondContact O-CG 3.38Å; A713-M717 PolarHBondContact O-N 2.85Å; Y714-M717 PolarHBondContact O-N 3.31Å; M717-I720 PolarHBondContact O-N 3.21Å; M717-G721 PolarHBondContact O-N 3.41Å; M717-L737 HydrophobicContact CE-CD1 4.01Å; M717-L737 HydrophobicContact CE-CD2 4.12Å; M717-L737 HydrophobicContact SD-CD1 4.04Å; M717-K762 HydrophobicContact CE-CG 4.31Å; M717-H765 HydrophobicContact CE-CB 4.29Å
718	R	81.7	Confident	77.4	Confident	146 Å²	146	66.9 Å²	66.9	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-74	-32.4	177.6	-165	172	-177.9	-176.5	-0.9	113.7	Y714 V715 D716 S722 A729	Y714-R718 WeakPolarHBondContact O-CB 3.47Å; Y714-R718 PolarHBondContact O-N 3.09Å; V715-R718 PolarHBondContact O-N 3.09Å; D716-R718 PolarHBondContact O-N 3.41Å; R718-S722 PolarHBondContact O-N 3.35Å; R718-S722 PolarHBondContact O-OG 2.97Å; R718-A729 HydrophobicContact CB-CB 4.14Å; R718-A729 HydrophobicContact CG-CB 4.37Å
719	K	81.2	Confident	76.3	Confident	135 Å²	135	62.8 Å²	62.8	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-62.3	-46.7	168.8	-67.3	167.5	-164.8	158.9	0	110.6	V715 D716 S722	V715-K719 WeakPolarHBondContact O-CG 3.33Å; V715-K719 PolarHBondContact O-N 2.66Å; D716-K719 WeakPolarHBondContact O-CB 3.49Å; D716-K719 PolarHBondContact O-N 3.15Å; D716-K719 VanDerWaalsContact O-N 3.11Å; D716-K719 WeakPolarHBondContact OD1-CD 3.46Å; D716-K719 WeakPolarHBondContact OD1-CE 3.38Å; D716-K719 IonicContact OD1-NZ 2.59Å; D716-K719 PolarHBondContact OD1-NZ 3.06Å; K719-S722 WeakPolarHBondContact O-CB 3.46Å; K719-S722 PolarHBondContact O-N 3.01Å
720	I	74.2	Confident	75.8	Confident	73 Å²	73	65.6 Å²	65.6	37%	0.374	33%	0.333	S	S	.	.	H	α-helix	trans	-65.3	-52.7	-179.1	-64	165.5	0	0	0	110.6	D716 M717 S722 S723 M726	D716-I720 WeakPolarHBondContact O-CG1 3.42Å; D716-I720 PolarHBondContact O-N 3.03Å; M717-I720 PolarHBondContact O-N 3.21Å; I720-S722 PolarHBondContact O-N 3.34Å; I720-S723 PolarHBondContact O-N 2.79Å; I720-S723 PolarHBondContact O-OG 2.92Å; I720-M726 HydrophobicContact CG2-CE 4.19Å; I720-M726 HydrophobicContact CG2-SD 4.39Å
721	G	67.6	Low	75.3	Confident	9 Å²	9	69.8 Å²	69.8	9%	0.093	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	12.5	179.8	0	0	0	0	0	115.8	M717	M717-G721 PolarHBondContact O-N 3.41Å
722	S	68.1	Low	75	Confident	95 Å²	95	68.2 Å²	68.2	66%	0.664	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-7.5	170.6	-65.7	0	0	0	0	113.1	R718 K719 I720	R718-S722 PolarHBondContact O-N 3.35Å; R718-S722 PolarHBondContact O-OG 2.97Å; K719-S722 WeakPolarHBondContact O-CB 3.46Å; K719-S722 PolarHBondContact O-N 3.01Å; I720-S722 PolarHBondContact O-N 3.34Å
723	S	63.7	Low	74.7	Confident	35 Å²	35	64.5 Å²	64.5	25%	0.245	33%	0.331	C	S	.	.	S	Bend	trans	-77.4	155.7	172.3	70.3	0	0	0	0	112.2	I720 M726 P776	I720-S723 PolarHBondContact O-N 2.79Å; I720-S723 PolarHBondContact O-OG 2.92Å; S723-M726 PolarHBondContact OG-SD 2.74Å; S723-M726 VanDerWaalsContact OG-SD 3.37Å; S723-P776 VanDerWaalsContact CB-O 3.23Å; S723-P776 WeakPolarHBondContact CB-O 3.45Å; S723-P776 PolarHBondContact OG-O 2.7Å
724	R	52.8	Low	74.8	Confident	236 Å²	236	66.5 Å²	66.5	89%	0.891	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	124.7	-172.8	-169.7	177.6	-176.6	177.8	0.6	110.9
725	G	55.8	Low	74.8	Confident	31 Å²	31	68.1 Å²	68.1	32%	0.32	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	105	-10.1	175.2	0	0	0	0	0	115.2
726	M	61.1	Low	74.9	Confident	33 Å²	33	65 Å²	65	16%	0.163	33%	0.331	C	S	.	.	S	Bend	trans	-88.8	161.8	173.8	-61.6	-173.4	76.1	0	0	111.8	I720 S723 S728 Q771	I720-M726 HydrophobicContact CG2-CE 4.19Å; I720-M726 HydrophobicContact CG2-SD 4.39Å; S723-M726 PolarHBondContact OG-SD 2.74Å; S723-M726 VanDerWaalsContact OG-SD 3.37Å; M726-S728 PolarHBondContact O-N 3.42Å; M726-Q771 HydrophobicContact CE-CG 4.25Å
727	V	63.3	Low	75.3	Confident	44 Å²	44	61.7 Å²	61.7	27%	0.267	31%	0.313	S	S	.	.			trans	-68.4	111.3	172.2	-178.9	0	0	0	0	108.8
728	S	64.4	Low	75.9	Confident	59 Å²	59	62.9 Å²	62.9	41%	0.413	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.7	137.4	-179.4	-56.5	0	0	0	0	112.1	M726 Y730	M726-S728 PolarHBondContact O-N 3.42Å; S728-Y730 VanDerWaalsContact O-CD2 3.28Å; S728-Y730 WeakPolarHBondContact O-CD2 3.44Å; S728-Y730 WeakPolarHBondContact O-CE2 3.47Å; S728-Y730 PolarHBondContact O-N 3.46Å
729	A	70.6	Confident	76.4	Confident	15 Å²	15	56.6 Å²	56.6	12%	0.124	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-73.1	119.3	-174.5	0	0	0	0	0	112.5	R718 Q733	R718-A729 HydrophobicContact CB-CB 4.14Å; R718-A729 HydrophobicContact CG-CB 4.37Å; A729-Q733 VanDerWaalsContact CB-OE1 3.3Å
730	Y	81.2	Confident	77	Confident	83 Å²	83	50.1 Å²	50.1	33%	0.325	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-103.1	150.5	-179.7	-60.4	-68.2	0	0	0	111.3	S728 R732 Q733	S728-Y730 VanDerWaalsContact O-CD2 3.28Å; S728-Y730 WeakPolarHBondContact O-CD2 3.44Å; S728-Y730 WeakPolarHBondContact O-CE2 3.47Å; S728-Y730 PolarHBondContact O-N 3.46Å; Y730-R732 PolarHBondContact O-N 2.65Å; Y730-Q733 VanDerWaalsContact N-OE1 3.14Å; Y730-Q733 WeakPolarHBondContact O-CB 3.42Å; Y730-Q733 PolarHBondContact O-N 2.82Å
731	P	84.1	Confident	77.9	Confident	92 Å²	92	46.7 Å²	46.7	60%	0.597	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-27.4	176.9	-28.2	35.9	0	0	0	115.2	Q733 L734	P731-Q733 PolarHBondContact O-N 3.3Å; P731-L734 WeakPolarHBondContact O-CB 2.98Å; P731-L734 PolarHBondContact O-N 2.96Å; P731-L734 VanDerWaalsContact O-N 3.08Å
732	R	84.9	Confident	79.1	Confident	50 Å²	50	46.5 Å²	46.5	19%	0.189	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-26.5	176.5	-154.8	-172.9	-67.8	109.1	-4.2	112.8	E592 S642 Y730 L734 E735 S736	E592-R732 VanDerWaalsContact CD-NH2 3.27Å; E592-R732 IonicContact OE1-CZ 2.66Å; E592-R732 IonicContact OE1-NE 2.75Å; E592-R732 PolarHBondContact OE1-NE 2.8Å; E592-R732 IonicContact OE1-NH2 2.71Å; E592-R732 PolarHBondContact OE1-NH2 3.46Å; E592-R732 IonicContact OE2-CZ 3.99Å; E592-R732 VanDerWaalsContact OE2-CZ 3.3Å; E592-R732 IonicContact OE2-NE 2.82Å; E592-R732 PolarHBondContact OE2-NE 3.4Å; E592-R732 IonicContact OE2-NH2 3.07Å; E592-R732 PolarHBondContact OE2-NH2 3.28Å; S642-R732 VanDerWaalsContact C-NH1 3.26Å; S642-R732 WeakPolarHBondContact O-CD 3.48Å; S642-R732 PolarHBondContact O-NH1 3.27Å; S642-R732 PolarHBondContact OG-NH1 3.33Å; S642-R732 VanDerWaalsContact OG-NH1 3.08Å; Y730-R732 PolarHBondContact O-N 2.65Å; R732-L734 VanDerWaalsContact C-N 3.28Å; R732-L734 PolarHBondContact O-N 2.82Å; R732-E735 WeakPolarHBondContact O-CA 3.33Å; R732-E735 WeakPolarHBondContact O-CB 3.2Å; R732-E735 PolarHBondContact O-N 3.04Å; R732-E735 VanDerWaalsContact O-N 3.09Å; R732-S736 PolarHBondContact O-N 3.21Å; R732-S736 PolarHBondContact O-OG 2.82Å
733	Q	86.3	Confident	80.3	Confident	28 Å²	28	42 Å²	42	13%	0.131	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-28.2	175.2	-71	170.4	-37.1	0	0	113	A729 Y730 P731 E735 S736 L737	A729-Q733 VanDerWaalsContact CB-OE1 3.3Å; Y730-Q733 VanDerWaalsContact N-OE1 3.14Å; Y730-Q733 WeakPolarHBondContact O-CB 3.42Å; Y730-Q733 PolarHBondContact O-N 2.82Å; P731-Q733 PolarHBondContact O-N 3.3Å; Q733-E735 VanDerWaalsContact C-N 3.33Å; Q733-S736 WeakPolarHBondContact O-CB 3.35Å; Q733-S736 PolarHBondContact O-N 2.96Å; Q733-L737 WeakPolarHBondContact O-CG 3.11Å; Q733-L737 PolarHBondContact O-N 3.03Å
734	L	90.2	Very high	81.7	Confident	47 Å²	47	41.4 Å²	41.4	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-37.2	171.8	177.5	58.5	0	0	0	110.6	L710 Y714 P731 R732 S736 L737 I738	L710-L734 HydrophobicContact CB-CD1 4.1Å; L710-L734 HydrophobicContact CD2-CD1 4.46Å; Y714-L734 HydrophobicContact CD1-CD2 4.42Å; Y714-L734 HydrophobicContact CD2-CB 4.03Å; Y714-L734 HydrophobicContact CG-CB 4.18Å; Y714-L734 HydrophobicContact CG-CD2 4.46Å; P731-L734 WeakPolarHBondContact O-CB 2.98Å; P731-L734 PolarHBondContact O-N 2.96Å; P731-L734 VanDerWaalsContact O-N 3.08Å; R732-L734 VanDerWaalsContact C-N 3.28Å; R732-L734 PolarHBondContact O-N 2.82Å; L734-S736 VanDerWaalsContact C-N 3.35Å; L734-L737 PolarHBondContact O-N 3.15Å; L734-I738 HydrophobicContact CD1-CD1 4.38Å; L734-I738 HydrophobicContact CG-CD1 4.23Å; L734-I738 WeakPolarHBondContact O-CD1 3.25Å; L734-I738 VanDerWaalsContact O-CG1 3.24Å; L734-I738 WeakPolarHBondContact O-CG1 3.41Å; L734-I738 PolarHBondContact O-N 3.26Å
735	E	88.8	Confident	83.6	Confident	63 Å²	63	30.2 Å²	30.2	29%	0.294	17%	0.167	S	C	.	.	H	α-helix	trans	-65.1	-39.3	170.5	-52	-175.4	171.8	0	0	111.8	R732 Q733 I738 R739	R732-E735 WeakPolarHBondContact O-CA 3.33Å; R732-E735 WeakPolarHBondContact O-CB 3.2Å; R732-E735 PolarHBondContact O-N 3.04Å; R732-E735 VanDerWaalsContact O-N 3.09Å; Q733-E735 VanDerWaalsContact C-N 3.33Å; E735-I738 PolarHBondContact O-N 2.74Å; E735-R739 WeakPolarHBondContact O-CG 3.41Å; E735-R739 PolarHBondContact O-N 2.9Å; E735-R739 IonicContact OE2-CZ 3.67Å; E735-R739 IonicContact OE2-NH1 2.73Å; E735-R739 IonicContact OE2-NH2 2.7Å; E735-R739 PolarHBondContact OE2-NH2 2.91Å
736	S	90.3	Very high	85.2	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-59.2	-46.4	174.6	-56.7	0	0	0	0	112.1	D645 R732 Q733 L734 I738 R739 L740	D645-S736 WeakPolarHBondContact OD1-CA 3.24Å; D645-S736 WeakPolarHBondContact OD1-CB 3.45Å; D645-S736 PolarHBondContact OD1-OG 3.23Å; R732-S736 PolarHBondContact O-N 3.21Å; R732-S736 PolarHBondContact O-OG 2.82Å; Q733-S736 WeakPolarHBondContact O-CB 3.35Å; Q733-S736 PolarHBondContact O-N 2.96Å; L734-S736 VanDerWaalsContact C-N 3.35Å; S736-I738 VanDerWaalsContact C-N 3.34Å; S736-I738 PolarHBondContact O-N 2.89Å; S736-R739 PolarHBondContact O-N 2.93Å; S736-L740 WeakPolarHBondContact O-CB 3.3Å; S736-L740 VanDerWaalsContact O-CG 3.28Å; S736-L740 WeakPolarHBondContact O-CG 3.39Å; S736-L740 PolarHBondContact O-N 3.45Å
737	L	91.7	Very high	86.6	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-39.1	175.2	-72.3	172.4	0	0	0	112.3	L710 M717 Q733 L734 L740 A741 A761 H765	L710-L737 HydrophobicContact CD2-CB 3.66Å; M717-L737 HydrophobicContact CE-CD1 4.01Å; M717-L737 HydrophobicContact CE-CD2 4.12Å; M717-L737 HydrophobicContact SD-CD1 4.04Å; Q733-L737 WeakPolarHBondContact O-CG 3.11Å; Q733-L737 PolarHBondContact O-N 3.03Å; L734-L737 PolarHBondContact O-N 3.15Å; L737-L740 PolarHBondContact O-N 2.91Å; L737-A741 WeakPolarHBondContact O-CB 3.35Å; L737-A741 PolarHBondContact O-N 2.73Å; L737-A761 HydrophobicContact CD2-CB 4.31Å; L737-H765 HydrophobicContact CD2-CB 4.31Å
738	I	92.3	Very high	87.9	Confident	44 Å²	44	29 Å²	29	23%	0.226	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-45.3	174.9	-69.9	163.3	0	0	0	111	L702 L710 L734 E735 S736 L740 E742	L702-I738 HydrophobicContact CD1-CG2 4.41Å; L702-I738 HydrophobicContact CD2-CG1 4.42Å; L710-I738 HydrophobicContact CD1-CG1 3.84Å; L710-I738 HydrophobicContact CD2-CG1 4.36Å; L734-I738 HydrophobicContact CD1-CD1 4.38Å; L734-I738 HydrophobicContact CG-CD1 4.23Å; L734-I738 WeakPolarHBondContact O-CD1 3.25Å; L734-I738 VanDerWaalsContact O-CG1 3.24Å; L734-I738 WeakPolarHBondContact O-CG1 3.41Å; L734-I738 PolarHBondContact O-N 3.26Å; E735-I738 PolarHBondContact O-N 2.74Å; S736-I738 VanDerWaalsContact C-N 3.34Å; S736-I738 PolarHBondContact O-N 2.89Å; I738-L740 PolarHBondContact O-N 3Å; I738-E742 WeakPolarHBondContact CG2-OE1 3.44Å; I738-E742 WeakPolarHBondContact O-CB 3.48Å; I738-E742 WeakPolarHBondContact O-CG 3.36Å; I738-E742 PolarHBondContact O-N 2.88Å
739	R	92.2	Very high	89.1	Confident	13 Å²	13	27.2 Å²	27.2	5%	0.049	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-44	175.5	-69.2	170.2	-169.7	110.5	18	111.9	R501 I504 D645 E735 S736 A743	R501-R739 PolarHBondContact O-NE 2.91Å; R501-R739 PolarHBondContact O-NH2 2.92Å; I504-R739 HydrophobicContact CD1-CB 4.49Å; I504-R739 HydrophobicContact CG1-CB 3.96Å; D645-R739 IonicContact OD1-NH1 3.68Å; D645-R739 PolarHBondContact OD1-NH1 2.93Å; E735-R739 WeakPolarHBondContact O-CG 3.41Å; E735-R739 PolarHBondContact O-N 2.9Å; E735-R739 IonicContact OE2-CZ 3.67Å; E735-R739 IonicContact OE2-NH1 2.73Å; E735-R739 IonicContact OE2-NH2 2.7Å; E735-R739 PolarHBondContact OE2-NH2 2.91Å; S736-R739 PolarHBondContact O-N 2.93Å; R739-A743 WeakPolarHBondContact O-CB 3.24Å; R739-A743 PolarHBondContact O-N 2.92Å
740	L	93.4	Very high	90	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.6	-44.3	-178.8	-72	165.4	0	0	0	112.2	L482 I504 L646 S736 L737 I738 E742 A743 H744 A761	L482-L740 HydrophobicContact CB-CD2 4.41Å; L482-L740 HydrophobicContact CD1-CD2 3.92Å; I504-L740 HydrophobicContact CD1-CD2 3.99Å; I504-L740 HydrophobicContact CG2-CD2 4.34Å; L646-L740 HydrophobicContact CD1-CD1 4.5Å; L646-L740 HydrophobicContact CD1-CD2 3.82Å; L646-L740 HydrophobicContact CD2-CD1 3.89Å; L646-L740 HydrophobicContact CG-CD1 4.15Å; L646-L740 HydrophobicContact CG-CD2 4.25Å; S736-L740 WeakPolarHBondContact O-CB 3.3Å; S736-L740 VanDerWaalsContact O-CG 3.28Å; S736-L740 WeakPolarHBondContact O-CG 3.39Å; S736-L740 PolarHBondContact O-N 3.45Å; L737-L740 PolarHBondContact O-N 2.91Å; I738-L740 PolarHBondContact O-N 3Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-E742 PolarHBondContact O-N 3.22Å; L740-A743 PolarHBondContact O-N 2.91Å; L740-H744 WeakPolarHBondContact O-CB 3.42Å; L740-H744 PolarHBondContact O-N 2.82Å; L740-A761 HydrophobicContact CB-CB 3.72Å
741	A	94	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.142	C	C	.	.	H	α-helix	trans	-66.6	-35.3	177.1	0	0	0	0	0	112.1	L737 H744 A745 V753 D757 V758 A761	L737-A741 WeakPolarHBondContact O-CB 3.35Å; L737-A741 PolarHBondContact O-N 2.73Å; A741-H744 PolarHBondContact O-N 3.38Å; A741-A745 WeakPolarHBondContact O-CB 3.06Å; A741-A745 PolarHBondContact O-N 2.78Å; A741-V753 HydrophobicContact CB-CG1 3.82Å; A741-D757 HydrophobicContact CB-CB 4.35Å; A741-V758 HydrophobicContact CB-CG2 4.14Å; A741-A761 HydrophobicContact CB-CB 4.37Å
742	E	92.6	Very high	90.9	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.019	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-42.6	170.9	-78.2	170.6	-150.2	0	0	112.9	T488 K490 P700 L702 I738 L740 H744 A745 K746 V753	T488-E742 WeakPolarHBondContact CB-OE2 3.28Å; T488-E742 HydrophobicContact CG2-CB 4.48Å; T488-E742 HydrophobicContact CG2-CG 4.46Å; T488-E742 PolarHBondContact N-OE2 2.71Å; T488-E742 PolarHBondContact OG1-OE2 2.81Å; K490-E742 WeakPolarHBondContact CE-OE1 3.38Å; K490-E742 IonicContact NZ-OE1 3.96Å; K490-E742 PolarHBondContact NZ-OE1 2.83Å; K490-E742 IonicContact NZ-OE2 2.73Å; P700-E742 HydrophobicContact CG-CB 4.28Å; P700-E742 HydrophobicContact CG-CG 4.44Å; P700-E742 WeakPolarHBondContact CG-O 3.25Å; L702-E742 WeakPolarHBondContact CD1-OE1 3.47Å; I738-E742 WeakPolarHBondContact CG2-OE1 3.44Å; I738-E742 WeakPolarHBondContact O-CB 3.48Å; I738-E742 WeakPolarHBondContact O-CG 3.36Å; I738-E742 PolarHBondContact O-N 2.88Å; L740-E742 VanDerWaalsContact C-N 3.34Å; L740-E742 PolarHBondContact O-N 3.22Å; E742-H744 VanDerWaalsContact C-N 3.32Å; E742-H744 PolarHBondContact O-N 2.93Å; E742-A745 PolarHBondContact O-N 2.85Å; E742-K746 PolarHBondContact O-N 3.26Å; E742-V753 HydrophobicContact CG-CG2 4.02Å
743	A	92.6	Very high	91.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-41.6	174.8	0	0	0	0	0	110.9	L482 I504 R739 L740 K746 V747	L482-A743 HydrophobicContact CB-CB 4.07Å; L482-A743 HydrophobicContact CD2-CB 3.87Å; I504-A743 HydrophobicContact CD1-CB 3.81Å; R739-A743 WeakPolarHBondContact O-CB 3.24Å; R739-A743 PolarHBondContact O-N 2.92Å; L740-A743 PolarHBondContact O-N 2.91Å; A743-K746 WeakPolarHBondContact O-CB 2.98Å; A743-K746 PolarHBondContact O-N 2.95Å; A743-V747 WeakPolarHBondContact O-CG2 3.36Å; A743-V747 PolarHBondContact O-N 3.48Å; A743-V747 VanDerWaalsContact O-N 3.11Å
744	H	93	Very high	91.6	Very high	24 Å²	24	30.5 Å²	30.5	11%	0.111	15%	0.145	C	C	.	.	H	α-helix	trans	-63.6	-44	175.9	-170	-96.7	0	0	0	111.6	Y459 L482 L740 A741 E742 K746 V747 R748 D757	Y459-H744 AromaticContact CE2-CD2 3.85Å; Y459-H744 AromaticContact CZ-CD2 3.98Å; L482-H744 HydrophobicContact CD2-CB 3.97Å; L740-H744 WeakPolarHBondContact O-CB 3.42Å; L740-H744 PolarHBondContact O-N 2.82Å; A741-H744 PolarHBondContact O-N 3.38Å; E742-H744 VanDerWaalsContact C-N 3.32Å; E742-H744 PolarHBondContact O-N 2.93Å; H744-K746 VanDerWaalsContact C-N 3.26Å; H744-K746 PolarHBondContact O-N 2.91Å; H744-V747 WeakPolarHBondContact O-CB 3.38Å; H744-V747 PolarHBondContact O-N 3.47Å; H744-R748 PolarHBondContact O-N 2.94Å; H744-D757 HydrophobicContact CB-CB 4.32Å; H744-D757 IonicContact CE1-OD1 3.63Å; H744-D757 IonicContact CG-OD1 2.77Å; H744-D757 IonicContact ND1-OD1 3.7Å; H744-D757 PolarHBondContact ND1-OD1 3.02Å
745	A	92.4	Very high	91.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.4	-33.3	173.7	0	0	0	0	0	112.9	P700 A741 E742 R748 L749 S750 V753	P700-A745 HydrophobicContact CB-CB 3.74Å; P700-A745 HydrophobicContact CG-CB 4.03Å; A741-A745 WeakPolarHBondContact O-CB 3.06Å; A741-A745 PolarHBondContact O-N 2.78Å; E742-A745 PolarHBondContact O-N 2.85Å; A745-R748 WeakPolarHBondContact O-CG 3.23Å; A745-L749 PolarHBondContact O-N 2.88Å; A745-S750 PolarHBondContact O-N 2.89Å; A745-V753 HydrophobicContact CB-CG2 4.07Å
746	K	90.4	Very high	91.9	Very high	12 Å²	12	32 Å²	32	5%	0.052	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-40.6	169.9	-70.7	-173.4	-172.4	173.3	0	113.2	F485 G486 G487 I698 P700 E742 A743 H744 R748 L749	F485-K746 HydrophobicContact CB-CB 4.27Å; F485-K746 HydrophobicContact CB-CD 4.27Å; F485-K746 HydrophobicContact CD1-CB 4.37Å; F485-K746 PolarHBondContact O-NZ 2.9Å; G486-K746 WeakPolarHBondContact O-CD 3.22Å; G486-K746 VanDerWaalsContact O-CE 3.29Å; G486-K746 WeakPolarHBondContact O-CE 3.35Å; G486-K746 PolarHBondContact O-NZ 3.46Å; G487-K746 PolarHBondContact O-NZ 3.1Å; I698-K746 HydrophobicContact CG2-CG 4.42Å; P700-K746 HydrophobicContact CG-CG 4.07Å; E742-K746 PolarHBondContact O-N 3.26Å; A743-K746 WeakPolarHBondContact O-CB 2.98Å; A743-K746 PolarHBondContact O-N 2.95Å; H744-K746 VanDerWaalsContact C-N 3.26Å; H744-K746 PolarHBondContact O-N 2.91Å; K746-R748 PolarHBondContact O-N 3Å; K746-L749 WeakPolarHBondContact O-CA 3.45Å; K746-L749 PolarHBondContact O-N 2.83Å
747	V	90.8	Very high	92.1	Very high	2 Å²	2	32 Å²	32	1%	0.012	16%	0.16	C	C	.	.	H	α-helix	trans	-54.1	-41.7	179.3	-176.3	0	0	0	0	110.7	Y459 L462 L481 L482 F485 Y690 A743 H744 L749	Y459-V747 HydrophobicContact CD2-CG1 4.3Å; Y459-V747 HydrophobicContact CD2-CG2 4.46Å; L462-V747 HydrophobicContact CD1-CG1 4.1Å; L481-V747 HydrophobicContact CD2-CG1 4.48Å; L482-V747 HydrophobicContact CD2-CG2 3.95Å; F485-V747 HydrophobicContact CD2-CG2 3.62Å; F485-V747 HydrophobicContact CE2-CB 4.3Å; F485-V747 HydrophobicContact CE2-CG1 4.28Å; F485-V747 HydrophobicContact CE2-CG2 3.73Å; F485-V747 HydrophobicContact CG-CG2 4.4Å; Y690-V747 VanDerWaalsContact CE1-O 3.25Å; Y690-V747 WeakPolarHBondContact CE1-O 3.42Å; Y690-V747 PolarHBondContact OH-O 3.43Å; A743-V747 WeakPolarHBondContact O-CG2 3.36Å; A743-V747 PolarHBondContact O-N 3.48Å; A743-V747 VanDerWaalsContact O-N 3.11Å; H744-V747 WeakPolarHBondContact O-CB 3.38Å; H744-V747 PolarHBondContact O-N 3.47Å; V747-L749 VanDerWaalsContact C-N 3.32Å; V747-L749 PolarHBondContact O-N 2.92Å
748	R	88.9	Confident	92.2	Very high	68 Å²	68	32 Å²	32	26%	0.257	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	10.9	178.4	60.9	-175	-70.9	-156.1	-1.4	114.7	H744 A745 K746 S750 E754 D757	H744-R748 PolarHBondContact O-N 2.94Å; A745-R748 WeakPolarHBondContact O-CG 3.23Å; K746-R748 PolarHBondContact O-N 3Å; R748-S750 PolarHBondContact O-N 2.96Å; R748-S750 VanDerWaalsContact O-N 3.16Å; R748-E754 IonicContact CZ-OE1 2.79Å; R748-E754 IonicContact CZ-OE2 3.51Å; R748-E754 VanDerWaalsContact NH1-CD 3.34Å; R748-E754 IonicContact NH1-OE1 3.76Å; R748-E754 IonicContact NH1-OE2 3.36Å; R748-E754 PolarHBondContact NH1-OE2 3.05Å; R748-E754 IonicContact NH2-OE1 3.2Å; R748-E754 PolarHBondContact NH2-OE1 3.33Å; R748-E754 VanDerWaalsContact NH2-OE1 3.15Å; R748-E754 IonicContact NH2-OE2 3.44Å; R748-E754 PolarHBondContact NH2-OE2 3.29Å; R748-D757 VanDerWaalsContact CD-OD1 3.3Å; R748-D757 WeakPolarHBondContact CD-OD1 3.46Å; R748-D757 IonicContact CZ-OD1 2.78Å; R748-D757 IonicContact NH1-OD1 3.15Å; R748-D757 PolarHBondContact NH1-OD1 3.43Å; R748-D757 IonicContact NH1-OD2 3.93Å; R748-D757 PolarHBondContact NH1-OD2 2.9Å
749	L	89.8	Confident	92.2	Very high	23 Å²	23	35 Å²	35	12%	0.12	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	32.1	-175.4	-55	178.5	0	0	0	114.3	Y690 Y693 A694 I698 A745 K746 V747	Y690-L749 HydrophobicContact CE1-CD2 4.3Å; Y690-L749 HydrophobicContact CE1-CG 4.43Å; Y690-L749 HydrophobicContact CE2-CD1 4.25Å; Y693-L749 HydrophobicContact CD1-CD1 4.12Å; Y693-L749 HydrophobicContact CD1-CD2 4.08Å; Y693-L749 HydrophobicContact CE1-CD1 4.01Å; Y693-L749 HydrophobicContact CE1-CD2 4.41Å; A694-L749 HydrophobicContact CB-CD2 3.66Å; I698-L749 HydrophobicContact CD1-CB 4.33Å; I698-L749 HydrophobicContact CG1-CB 4.23Å; I698-L749 HydrophobicContact CG1-CD2 3.97Å; A745-L749 PolarHBondContact O-N 2.88Å; K746-L749 WeakPolarHBondContact O-CA 3.45Å; K746-L749 PolarHBondContact O-N 2.83Å; V747-L749 VanDerWaalsContact C-N 3.32Å; V747-L749 PolarHBondContact O-N 2.92Å
750	S	90.3	Very high	92.1	Very high	22 Å²	22	35.6 Å²	35.6	15%	0.154	18%	0.176	C	C	.	.			trans	-88	132	-179.5	-175.7	0	0	0	0	112.3	I698 A745 R748 K752	I698-S750 WeakPolarHBondContact CG2-O 3.23Å; A745-S750 PolarHBondContact O-N 2.89Å; R748-S750 PolarHBondContact O-N 2.96Å; R748-S750 VanDerWaalsContact O-N 3.16Å; S750-K752 PolarHBondContact O-N 2.73Å; S750-K752 PolarHBondContact OG-N 3.38Å; S750-K752 VanDerWaalsContact OG-N 3.14Å; S750-K752 PolarHBondContact OG-O 2.87Å
751	N	90.4	Very high	92	Very high	93 Å²	93	35.7 Å²	35.7	50%	0.497	18%	0.177	S	C	.	.	S	Bend	trans	-80.8	0.7	171.7	-72.4	-51.1	0	0	0	113.6	P700 R701	P700-N751 WeakPolarHBondContact CA-O 3.35Å; R701-N751 PolarHBondContact N-O 2.82Å; R701-N751 VanDerWaalsContact N-O 3.08Å
752	K	92.8	Very high	91.8	Very high	144 Å²	144	38.6 Å²	38.6	63%	0.626	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.5	174.8	-67.5	-177.5	179.8	179.4	0	111.1	R701 S750	R701-K752 CarbonylContact O-C 3.55Å; R701-K752 WeakPolarHBondContact O-CA 3.48Å; S750-K752 PolarHBondContact O-N 2.73Å; S750-K752 PolarHBondContact OG-N 3.38Å; S750-K752 VanDerWaalsContact OG-N 3.14Å; S750-K752 PolarHBondContact OG-O 2.87Å
753	V	94.5	Very high	91.7	Very high	1 Å²	1	43 Å²	43	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.2	169.9	-170	0	0	0	0	108.8	P700 R701 L702 S703 A706 A741 E742 A745 D757 V758	P700-V753 HydrophobicContact CB-CG2 3.9Å; R701-V753 PolarHBondContact O-N 3.39Å; L702-V753 HydrophobicContact CG-CG2 4.45Å; S703-V753 VanDerWaalsContact CB-O 3.28Å; S703-V753 WeakPolarHBondContact CB-O 3.43Å; S703-V753 PolarHBondContact N-O 2.75Å; S703-V753 PolarHBondContact OG-O 3.3Å; A706-V753 HydrophobicContact CB-CB 4.46Å; A706-V753 HydrophobicContact CB-CG1 4.19Å; A741-V753 HydrophobicContact CB-CG1 3.82Å; E742-V753 HydrophobicContact CG-CG2 4.02Å; A745-V753 HydrophobicContact CB-CG2 4.07Å; V753-D757 HydrophobicContact CG1-CB 3.85Å; V753-V758 HydrophobicContact CG1-CG2 4.43Å
754	E	92.8	Very high	91.6	Very high	76 Å²	76	43 Å²	43	36%	0.355	21%	0.206	S	C	.	.			trans	-105.3	167.4	178	-68.3	170.6	-172.5	0	0	111.2	R748 I756 D757	R748-E754 IonicContact CZ-OE1 2.79Å; R748-E754 IonicContact CZ-OE2 3.51Å; R748-E754 VanDerWaalsContact NH1-CD 3.34Å; R748-E754 IonicContact NH1-OE1 3.76Å; R748-E754 IonicContact NH1-OE2 3.36Å; R748-E754 PolarHBondContact NH1-OE2 3.05Å; R748-E754 IonicContact NH2-OE1 3.2Å; R748-E754 PolarHBondContact NH2-OE1 3.33Å; R748-E754 VanDerWaalsContact NH2-OE1 3.15Å; R748-E754 IonicContact NH2-OE2 3.44Å; R748-E754 PolarHBondContact NH2-OE2 3.29Å; E754-I756 HydrophobicContact CB-CG1 4.17Å; E754-I756 PolarHBondContact O-N 3.41Å; E754-D757 PolarHBondContact N-OD2 2.84Å; E754-D757 PolarHBondContact O-N 3.17Å; E754-D757 VanDerWaalsContact O-N 3.13Å
755	A	93.1	Very high	91.3	Very high	39 Å²	39	42.3 Å²	42.3	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-31	179.1	0	0	0	0	0	113.2	D757 V758 E759	A755-D757 VanDerWaalsContact C-N 3.33Å; A755-D757 PolarHBondContact O-N 3.19Å; A755-V758 WeakPolarHBondContact O-CB 3.18Å; A755-V758 PolarHBondContact O-N 2.98Å; A755-E759 PolarHBondContact O-N 3.4Å
756	I	91.9	Very high	90.8	Very high	104 Å²	104	48.8 Å²	48.8	53%	0.533	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-32.9	177.3	61.9	173.1	0	0	0	113	E754 V758 E759 E760	E754-I756 HydrophobicContact CB-CG1 4.17Å; E754-I756 PolarHBondContact O-N 3.41Å; I756-V758 PolarHBondContact O-N 3.46Å; I756-E759 PolarHBondContact O-N 3.28Å; I756-E760 PolarHBondContact O-N 2.93Å; I756-E760 VanDerWaalsContact O-N 3.08Å
757	D	93.5	Very high	90.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69	-29.3	177	-51.9	-46.7	0	0	0	110.9	A741 H744 R748 V753 E754 A755 A761	A741-D757 HydrophobicContact CB-CB 4.35Å; H744-D757 HydrophobicContact CB-CB 4.32Å; H744-D757 IonicContact CE1-OD1 3.63Å; H744-D757 IonicContact CG-OD1 2.77Å; H744-D757 IonicContact ND1-OD1 3.7Å; H744-D757 PolarHBondContact ND1-OD1 3.02Å; R748-D757 VanDerWaalsContact CD-OD1 3.3Å; R748-D757 WeakPolarHBondContact CD-OD1 3.46Å; R748-D757 IonicContact CZ-OD1 2.78Å; R748-D757 IonicContact NH1-OD1 3.15Å; R748-D757 PolarHBondContact NH1-OD1 3.43Å; R748-D757 IonicContact NH1-OD2 3.93Å; R748-D757 PolarHBondContact NH1-OD2 2.9Å; V753-D757 HydrophobicContact CG1-CB 3.85Å; E754-D757 PolarHBondContact N-OD2 2.84Å; E754-D757 PolarHBondContact O-N 3.17Å; E754-D757 VanDerWaalsContact O-N 3.13Å; A755-D757 VanDerWaalsContact C-N 3.33Å; A755-D757 PolarHBondContact O-N 3.19Å; D757-A761 WeakPolarHBondContact O-CB 3.45Å; D757-A761 PolarHBondContact O-N 3.23Å
758	V	94.1	Very high	89.6	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-77.2	-42.4	175.8	178.5	0	0	0	0	111.5	A706 A709 L710 A741 V753 A755 I756 E760 A761 K762	A706-V758 HydrophobicContact CB-CG2 3.85Å; A709-V758 HydrophobicContact CB-CB 4.39Å; A709-V758 HydrophobicContact CB-CG1 4Å; L710-V758 HydrophobicContact CD1-CG2 4.22Å; L710-V758 HydrophobicContact CD2-CG1 3.77Å; L710-V758 HydrophobicContact CD2-CG2 4.21Å; L710-V758 HydrophobicContact CG-CB 4.46Å; L710-V758 HydrophobicContact CG-CG1 3.74Å; L710-V758 HydrophobicContact CG-CG2 3.8Å; A741-V758 HydrophobicContact CB-CG2 4.14Å; V753-V758 HydrophobicContact CG1-CG2 4.43Å; A755-V758 WeakPolarHBondContact O-CB 3.18Å; A755-V758 PolarHBondContact O-N 2.98Å; I756-V758 PolarHBondContact O-N 3.46Å; V758-E760 VanDerWaalsContact C-N 3.34Å; V758-A761 PolarHBondContact O-N 3.38Å; V758-K762 WeakPolarHBondContact O-CB 3.38Å; V758-K762 PolarHBondContact O-N 3Å
759	E	92.1	Very high	88.8	Confident	107 Å²	107	48.7 Å²	48.7	50%	0.5	23%	0.231	S	C	.	.	H	α-helix	trans	-64.8	-38.3	178.6	-159.5	67.3	-128.7	0	0	111.2	A755 I756 K762 R763	A755-E759 PolarHBondContact O-N 3.4Å; I756-E759 PolarHBondContact O-N 3.28Å; E759-K762 VanDerWaalsContact CD-NZ 3.31Å; E759-K762 WeakPolarHBondContact O-CB 3.42Å; E759-K762 PolarHBondContact O-N 3Å; E759-K762 WeakPolarHBondContact OE1-CD 3.35Å; E759-K762 WeakPolarHBondContact OE1-CE 3.5Å; E759-K762 IonicContact OE1-NZ 3.2Å; E759-K762 PolarHBondContact OE1-NZ 3.41Å; E759-K762 IonicContact OE2-NZ 3.14Å; E759-K762 PolarHBondContact OE2-NZ 3.09Å; E759-K762 VanDerWaalsContact OE2-NZ 3.13Å; E759-R763 PolarHBondContact O-N 3.39Å
760	E	90.8	Very high	87.8	Confident	27 Å²	27	49.3 Å²	49.3	13%	0.126	23%	0.232	C	C	.	.	H	α-helix	trans	-69.4	-45.3	174	177.3	55.7	-165.6	0	0	112.6	Y459 I756 V758 K762 R763 L764	Y459-E760 HydrophobicContact CE1-CG 4.03Å; Y459-E760 WeakPolarHBondContact CE1-OE1 3.29Å; Y459-E760 PolarHBondContact OH-OE1 3.35Å; I756-E760 PolarHBondContact O-N 2.93Å; I756-E760 VanDerWaalsContact O-N 3.08Å; V758-E760 VanDerWaalsContact C-N 3.34Å; E760-K762 PolarHBondContact O-N 3.16Å; E760-R763 WeakPolarHBondContact O-CB 3.41Å; E760-R763 PolarHBondContact O-N 2.95Å; E760-R763 VanDerWaalsContact O-N 3.1Å; E760-R763 IonicContact OE1-CZ 2.8Å; E760-R763 IonicContact OE1-NE 2.62Å; E760-R763 IonicContact OE1-NH1 3.41Å; E760-R763 PolarHBondContact OE1-NH1 3.13Å; E760-R763 IonicContact OE1-NH2 3.7Å; E760-R763 PolarHBondContact OE1-NH2 2.94Å; E760-R763 IonicContact OE2-CZ 3.11Å; E760-R763 VanDerWaalsContact OE2-CZ 3.28Å; E760-R763 IonicContact OE2-NE 4Å; E760-R763 IonicContact OE2-NH1 2.74Å; E760-R763 PolarHBondContact OE2-NH1 2.87Å; E760-L764 PolarHBondContact O-N 2.83Å
761	A	91.8	Very high	86.1	Confident	1 Å²	1	50 Å²	50	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-58.3	-36.6	174.5	0	0	0	0	0	112.3	L737 L740 A741 D757 V758 H765	L737-A761 HydrophobicContact CD2-CB 4.31Å; L740-A761 HydrophobicContact CB-CB 3.72Å; A741-A761 HydrophobicContact CB-CB 4.37Å; D757-A761 WeakPolarHBondContact O-CB 3.45Å; D757-A761 PolarHBondContact O-N 3.23Å; V758-A761 PolarHBondContact O-N 3.38Å; A761-H765 WeakPolarHBondContact O-CB 3.4Å; A761-H765 PolarHBondContact O-N 3.36Å
762	K	90.1	Very high	84.2	Confident	62 Å²	62	48.1 Å²	48.1	27%	0.27	23%	0.227	S	C	.	.	H	α-helix	trans	-69.6	-40	174.4	173.4	-168.6	176.1	-163.9	0	112.1	A713 M717 V758 E759 E760 R766	A713-K762 HydrophobicContact CB-CD 3.89Å; A713-K762 HydrophobicContact CB-CG 4.29Å; M717-K762 HydrophobicContact CE-CG 4.31Å; V758-K762 WeakPolarHBondContact O-CB 3.38Å; V758-K762 PolarHBondContact O-N 3Å; E759-K762 VanDerWaalsContact CD-NZ 3.31Å; E759-K762 WeakPolarHBondContact O-CB 3.42Å; E759-K762 PolarHBondContact O-N 3Å; E759-K762 WeakPolarHBondContact OE1-CD 3.35Å; E759-K762 WeakPolarHBondContact OE1-CE 3.5Å; E759-K762 IonicContact OE1-NZ 3.2Å; E759-K762 PolarHBondContact OE1-NZ 3.41Å; E759-K762 IonicContact OE2-NZ 3.14Å; E759-K762 PolarHBondContact OE2-NZ 3.09Å; E759-K762 VanDerWaalsContact OE2-NZ 3.13Å; E760-K762 PolarHBondContact O-N 3.16Å; K762-R766 WeakPolarHBondContact O-CB 3.2Å; K762-R766 PolarHBondContact O-N 3.18Å; K762-R766 VanDerWaalsContact O-N 3.13Å
763	R	90.4	Very high	82.3	Confident	96 Å²	96	41.2 Å²	41.2	36%	0.362	20%	0.197	S	C	.	.	H	α-helix	trans	-58.5	-54.4	171.2	-168.4	-159.9	90.9	-151.9	3.8	110.3	D475 E759 E760 H765 R766 E767	D475-R763 IonicContact OD1-CZ 3.96Å; D475-R763 IonicContact OD1-NE 3.13Å; D475-R763 IonicContact OD1-NH2 2.61Å; D475-R763 PolarHBondContact OD1-NH2 3.2Å; E759-R763 PolarHBondContact O-N 3.39Å; E760-R763 WeakPolarHBondContact O-CB 3.41Å; E760-R763 PolarHBondContact O-N 2.95Å; E760-R763 VanDerWaalsContact O-N 3.1Å; E760-R763 IonicContact OE1-CZ 2.8Å; E760-R763 IonicContact OE1-NE 2.62Å; E760-R763 IonicContact OE1-NH1 3.41Å; E760-R763 PolarHBondContact OE1-NH1 3.13Å; E760-R763 IonicContact OE1-NH2 3.7Å; E760-R763 PolarHBondContact OE1-NH2 2.94Å; E760-R763 IonicContact OE2-CZ 3.11Å; E760-R763 VanDerWaalsContact OE2-CZ 3.28Å; E760-R763 IonicContact OE2-NE 4Å; E760-R763 IonicContact OE2-NH1 2.74Å; E760-R763 PolarHBondContact OE2-NH1 2.87Å; R763-H765 PolarHBondContact O-N 2.92Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.15Å; R763-E767 PolarHBondContact O-N 2.82Å
764	L	90	Very high	80.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-43	-175.6	-171.2	67.2	0	0	0	112.1	D475 L482 L646 F648 E760 R766 E767 A768	D475-L764 HydrophobicContact CB-CD1 4.09Å; D475-L764 WeakPolarHBondContact O-CD1 3.21Å; L482-L764 HydrophobicContact CD1-CD2 3.58Å; L646-L764 HydrophobicContact CD1-CD2 3.85Å; L646-L764 HydrophobicContact CD1-CG 4.28Å; L646-L764 HydrophobicContact CD2-CG 4.4Å; F648-L764 HydrophobicContact CE1-CD1 4.06Å; F648-L764 HydrophobicContact CZ-CD1 4.05Å; F648-L764 HydrophobicContact CZ-CG 4.41Å; E760-L764 PolarHBondContact O-N 2.83Å; L764-R766 PolarHBondContact O-N 3.19Å; L764-E767 PolarHBondContact O-N 3.21Å; L764-A768 VanDerWaalsContact O-CB 3.25Å; L764-A768 WeakPolarHBondContact O-CB 3.31Å; L764-A768 PolarHBondContact O-N 2.94Å
765	H	86.6	Confident	79	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.046	19%	0.191	C	C	.	.	H	α-helix	trans	-65.4	-36.7	176.2	-172.4	83.9	0	0	0	112.8	D645 L646 M717 L737 A761 R763	D645-H765 PolarHBondContact O-ND1 3.27Å; D645-H765 VanDerWaalsContact O-ND1 3.16Å; L646-H765 HydrophobicContact CD2-CB 4.26Å; M717-H765 HydrophobicContact CE-CB 4.29Å; L737-H765 HydrophobicContact CD2-CB 4.31Å; A761-H765 WeakPolarHBondContact O-CB 3.4Å; A761-H765 PolarHBondContact O-N 3.36Å; R763-H765 PolarHBondContact O-N 2.92Å
766	R	82.6	Confident	77.4	Confident	135 Å²	135	41.3 Å²	41.3	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-68.1	-42.2	177.3	-174.9	-177.2	174.1	172.3	-2.7	112	K762 R763 L764 K770 Q771	K762-R766 WeakPolarHBondContact O-CB 3.2Å; K762-R766 PolarHBondContact O-N 3.18Å; K762-R766 VanDerWaalsContact O-N 3.13Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.15Å; L764-R766 PolarHBondContact O-N 3.19Å; R766-K770 PolarHBondContact O-N 3.33Å; R766-Q771 HydrophobicContact CG-CB 3.91Å; R766-Q771 PolarHBondContact O-N 2.84Å
767	E	80.5	Confident	75.8	Confident	55 Å²	55	46.6 Å²	46.6	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-81.8	-32.2	-175.7	-165.9	52	-137.5	0	0	112.9	R763 L764 L769 K770 S772	R763-E767 PolarHBondContact O-N 2.82Å; L764-E767 PolarHBondContact O-N 3.21Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 2.91Å; E767-K770 WeakPolarHBondContact O-CA 3.49Å; E767-K770 VanDerWaalsContact O-CG 3.28Å; E767-K770 WeakPolarHBondContact O-CG 3.2Å; E767-K770 PolarHBondContact O-N 3.48Å; E767-S772 PolarHBondContact OE1-OG 3.24Å; E767-S772 WeakPolarHBondContact OE2-CB 3.34Å; E767-S772 PolarHBondContact OE2-OG 3.45Å
768	A	75.6	Confident	74.1	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-46.5	172.1	0	0	0	0	0	111.7	L646 I647 F648 L649 L764 K770	L646-A768 HydrophobicContact CD2-CB 4.29Å; I647-A768 CarbonylContact O-C 3.57Å; I647-A768 WeakPolarHBondContact O-CB 3.42Å; F648-A768 HydrophobicContact CD1-CB 3.53Å; F648-A768 HydrophobicContact CE1-CB 3.63Å; F648-A768 HydrophobicContact CG-CB 4.09Å; F648-A768 HydrophobicContact CZ-CB 4.27Å; L649-A768 PolarHBondContact N-O 3.49Å; L649-A768 VanDerWaalsContact N-O 3.14Å; L764-A768 VanDerWaalsContact O-CB 3.25Å; L764-A768 WeakPolarHBondContact O-CB 3.31Å; L764-A768 PolarHBondContact O-N 2.94Å; A768-K770 PolarHBondContact O-N 2.89Å
769	L	71.5	Confident	72.5	Confident	22 Å²	22	49.7 Å²	49.7	12%	0.115	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.1	174.8	-73.7	170.6	0	0	0	114.1	I647 E767 Q771	I647-L769 HydrophobicContact CB-CD2 4.18Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 2.91Å; L769-Q771 HydrophobicContact CB-CG 3.84Å; L769-Q771 PolarHBondContact O-N 2.77Å; L769-Q771 VanDerWaalsContact O-N 3.16Å
770	K	68.7	Low	71.3	Confident	36 Å²	36	47.1 Å²	47.1	16%	0.157	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	43.3	-174.5	-69.6	-174.6	167.3	165.2	0	113.6	L649 R766 E767 A768 S772 A773 T774	L649-K770 HydrophobicContact CB-CD 4.28Å; L649-K770 VanDerWaalsContact O-CE 3.31Å; L649-K770 WeakPolarHBondContact O-CE 3.31Å; L649-K770 PolarHBondContact O-NZ 2.97Å; R766-K770 PolarHBondContact O-N 3.33Å; E767-K770 WeakPolarHBondContact O-CA 3.49Å; E767-K770 VanDerWaalsContact O-CG 3.28Å; E767-K770 WeakPolarHBondContact O-CG 3.2Å; E767-K770 PolarHBondContact O-N 3.48Å; A768-K770 PolarHBondContact O-N 2.89Å; K770-S772 PolarHBondContact O-N 2.97Å; K770-S772 VanDerWaalsContact O-N 3.15Å; K770-A773 HydrophobicContact CB-CB 4.42Å; K770-A773 PolarHBondContact O-N 3.01Å; K770-T774 PolarHBondContact O-N 3.37Å
771	Q	55.3	Low	70.1	Confident	38 Å²	38	46 Å²	46	18%	0.178	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14	177.9	-59	-180	10.3	0	0	112.7	M726 R766 L769 T774	M726-Q771 HydrophobicContact CE-CG 4.25Å; R766-Q771 HydrophobicContact CG-CB 3.91Å; R766-Q771 PolarHBondContact O-N 2.84Å; L769-Q771 HydrophobicContact CB-CG 3.84Å; L769-Q771 PolarHBondContact O-N 2.77Å; L769-Q771 VanDerWaalsContact O-N 3.16Å; Q771-T774 WeakPolarHBondContact CA-OG1 3.25Å; Q771-T774 PolarHBondContact O-OG1 2.89Å
772	S	48.9	Very low	68.7	Low	52 Å²	52	47.6 Å²	47.6	36%	0.364	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.5	164.1	40.9	0	0	0	0	113.2	E767 K770	E767-S772 PolarHBondContact OE1-OG 3.24Å; E767-S772 WeakPolarHBondContact OE2-CB 3.34Å; E767-S772 PolarHBondContact OE2-OG 3.45Å; K770-S772 PolarHBondContact O-N 2.97Å; K770-S772 VanDerWaalsContact O-N 3.15Å
773	A	52.8	Low	67.4	Low	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-3.1	-176.5	0	0	0	0	0	114.7	K770 V781 D782 I785 L786	K770-A773 HydrophobicContact CB-CB 4.42Å; K770-A773 PolarHBondContact O-N 3.01Å; A773-V781 HydrophobicContact CB-CG1 4.22Å; A773-V781 WeakPolarHBondContact O-CA 3.46Å; A773-D782 PolarHBondContact O-N 2.93Å; A773-I785 HydrophobicContact CB-CB 4.31Å; A773-I785 HydrophobicContact CB-CD1 4.23Å; A773-I785 HydrophobicContact CB-CG2 4.3Å; A773-I785 WeakPolarHBondContact O-CD1 3.06Å; A773-L786 HydrophobicContact CB-CD2 4.44Å
774	T	61.2	Low	66	Low	15 Å²	15	44.7 Å²	44.7	9%	0.092	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-86.3	123.7	172.8	55.5	0	0	0	0	111.8	K770 Q771 P776 I780 V781	K770-T774 PolarHBondContact O-N 3.37Å; Q771-T774 WeakPolarHBondContact CA-OG1 3.25Å; Q771-T774 PolarHBondContact O-OG1 2.89Å; T774-P776 WeakPolarHBondContact O-CD 3.31Å; T774-I780 WeakPolarHBondContact CA-O 3.42Å; T774-V781 HydrophobicContact CG2-CG2 3.87Å
775	D	58.7	Low	64.8	Low	24 Å²	24	46.2 Å²	46.2	13%	0.128	23%	0.229	C	C	.	.			trans	-74.6	116	177.5	-164.4	52.3	0	0	0	109.6	R777 T778 G779 I780 T793	D775-R777 PolarHBondContact O-N 3.07Å; D775-T778 PolarHBondContact O-N 3.15Å; D775-T778 PolarHBondContact O-OG1 2.67Å; D775-G779 PolarHBondContact O-N 2.98Å; D775-I780 PolarHBondContact N-O 2.81Å; D775-T793 WeakPolarHBondContact OD1-CG2 3.47Å; D775-T793 PolarHBondContact OD1-OG1 2.89Å; D775-T793 VanDerWaalsContact OD2-CG2 3.3Å; D775-T793 WeakPolarHBondContact OD2-CG2 3.48Å
776	P	58.6	Low	63.6	Low	79 Å²	79	49.3 Å²	49.3	51%	0.513	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	3.2	-158.7	27.8	-37	0	0	0	115.4	S723 T774	S723-P776 VanDerWaalsContact CB-O 3.23Å; S723-P776 WeakPolarHBondContact CB-O 3.45Å; S723-P776 PolarHBondContact OG-O 2.7Å; T774-P776 WeakPolarHBondContact O-CD 3.31Å
777	R	57.7	Low	62.5	Low	215 Å²	215	45.7 Å²	45.7	81%	0.811	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-19.3	172.9	-73.4	-175.2	173.6	-179.1	-1.7	113.8	D775	D775-R777 PolarHBondContact O-N 3.07Å
778	T	58.9	Low	61.6	Low	64 Å²	64	46.3 Å²	46.3	39%	0.393	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-25	-173.2	59	0	0	0	0	112.7	D775 I780	D775-T778 PolarHBondContact O-N 3.15Å; D775-T778 PolarHBondContact O-OG1 2.67Å; T778-I780 PolarHBondContact O-N 2.89Å; T778-I780 PolarHBondContact OG1-N 3.46Å
779	G	60.7	Low	60.9	Low	2 Å²	2	49.3 Å²	49.3	2%	0.021	28%	0.278	C	S	.	.			trans	69.6	13.5	-172.1	0	0	0	0	0	113.5	D775	D775-G779 PolarHBondContact O-N 2.98Å
780	I	65	Low	60.5	Low	53 Å²	53	51 Å²	51	27%	0.272	29%	0.286	S	S	.	.			trans	-88.3	138.7	177.8	-74.1	170.6	0	0	0	109.5	P626 T774 D775 T778	P626-I780 VanDerWaalsContact O-CG2 3.3Å; P626-I780 WeakPolarHBondContact O-CG2 3.29Å; T774-I780 WeakPolarHBondContact CA-O 3.42Å; D775-I780 PolarHBondContact N-O 2.81Å; T778-I780 PolarHBondContact O-N 2.89Å; T778-I780 PolarHBondContact OG1-N 3.46Å
781	V	66.6	Low	60.3	Low	2 Å²	2	49.8 Å²	49.8	1%	0.012	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-86.5	110.8	172	-177.7	0	0	0	0	109.2	W624 L651 A773 T774 I783	W624-V781 HydrophobicContact CZ2-CG2 4.36Å; L651-V781 HydrophobicContact CD1-CG1 3.96Å; A773-V781 HydrophobicContact CB-CG1 4.22Å; A773-V781 WeakPolarHBondContact O-CA 3.46Å; T774-V781 HydrophobicContact CG2-CG2 3.87Å; V781-I783 PolarHBondContact O-N 3.26Å
782	D	63.2	Low	60.7	Low	35 Å²	35	50 Å²	50	19%	0.187	29%	0.29	C	S	.	.			trans	-83.5	94.5	178.2	-118.7	24.5	0	0	0	108.8	A773 S784 I785 A792	A773-D782 PolarHBondContact O-N 2.93Å; D782-S784 PolarHBondContact O-N 3.36Å; D782-S784 VanDerWaalsContact O-N 3.09Å; D782-I785 HydrophobicContact CB-CD1 3.51Å; D782-I785 HydrophobicContact CB-CG1 3.91Å; D782-I785 WeakPolarHBondContact O-CB 3.24Å; D782-I785 WeakPolarHBondContact O-CG1 3.43Å; D782-I785 PolarHBondContact O-N 3.25Å; D782-A792 VanDerWaalsContact OD2-CB 3.28Å; D782-A792 WeakPolarHBondContact OD2-CB 3.08Å; D782-A792 PolarHBondContact OD2-N 2.77Å
783	I	63.1	Low	61.6	Low	58 Å²	58	49.3 Å²	49.3	30%	0.297	28%	0.283	S	S	.	.	H	α-helix	trans	-56	-30.5	-176.9	-60.2	173.3	0	0	0	112	P626 V781 I785 L786	P626-I783 HydrophobicContact CB-CD1 3.95Å; P626-I783 HydrophobicContact CB-CG1 4.36Å; P626-I783 HydrophobicContact CG-CD1 4.09Å; V781-I783 PolarHBondContact O-N 3.26Å; I783-I785 PolarHBondContact O-N 3.34Å; I783-I785 VanDerWaalsContact O-N 3.16Å; I783-L786 WeakPolarHBondContact O-CB 3.4Å; I783-L786 PolarHBondContact O-N 2.9Å
784	S	60	Low	62.3	Low	39 Å²	39	51.5 Å²	51.5	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-20.2	175.3	50.5	0	0	0	0	114.8	D782 T788	D782-S784 PolarHBondContact O-N 3.36Å; D782-S784 VanDerWaalsContact O-N 3.09Å; S784-T788 PolarHBondContact O-N 2.72Å; S784-T788 PolarHBondContact O-OG1 2.78Å
785	I	64	Low	62.8	Low	33 Å²	33	56 Å²	56	17%	0.169	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-42.2	172.7	-66.1	164.8	0	0	0	110.2	A773 D782 I783 G789 S791	A773-I785 HydrophobicContact CB-CB 4.31Å; A773-I785 HydrophobicContact CB-CD1 4.23Å; A773-I785 HydrophobicContact CB-CG2 4.3Å; A773-I785 WeakPolarHBondContact O-CD1 3.06Å; D782-I785 HydrophobicContact CB-CD1 3.51Å; D782-I785 HydrophobicContact CB-CG1 3.91Å; D782-I785 WeakPolarHBondContact O-CB 3.24Å; D782-I785 WeakPolarHBondContact O-CG1 3.43Å; D782-I785 PolarHBondContact O-N 3.25Å; I783-I785 PolarHBondContact O-N 3.34Å; I783-I785 VanDerWaalsContact O-N 3.16Å; I785-G789 VanDerWaalsContact O-CA 3.26Å; I785-G789 WeakPolarHBondContact O-CA 3.36Å; I785-G789 PolarHBondContact O-N 2.99Å; I785-S791 VanDerWaalsContact CD1-CB 3.48Å; I785-S791 VanDerWaalsContact CG1-CA 3.41Å; I785-S791 VanDerWaalsContact CG1-CB 3.42Å
786	L	61.4	Low	63.6	Low	75 Å²	75	61 Å²	61	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-67	-42.1	-177.9	-59.9	172.3	0	0	0	111.1	L651 A773 I783	L651-L786 HydrophobicContact CD1-CD1 4.34Å; A773-L786 HydrophobicContact CB-CD2 4.44Å; I783-L786 WeakPolarHBondContact O-CB 3.4Å; I783-L786 PolarHBondContact O-N 2.9Å
787	T	60.3	Low	64.4	Low	60 Å²	60	62.7 Å²	62.7	37%	0.368	33%	0.331	S	S	.	.	H	α-helix	trans	-87.9	-18.3	-173.5	67.5	0	0	0	0	114	P653 D655	P653-T787 HydrophobicContact CB-CG2 4.12Å; D655-T787 WeakPolarHBondContact OD2-CG2 3.3Å
788	T	60.5	Low	65.2	Low	68 Å²	68	55 Å²	55	42%	0.417	30%	0.303	S	S	.	.	H	α-helix	trans	-136.4	3.2	-175.2	72.4	0	0	0	0	116	S784 M790 R795	S784-T788 PolarHBondContact O-N 2.72Å; S784-T788 PolarHBondContact O-OG1 2.78Å; T788-M790 PolarHBondContact O-N 2.86Å; T788-R795 VanDerWaalsContact CB-NH2 3.27Å; T788-R795 PolarHBondContact OG1-NH2 2.8Å
789	G	61.2	Low	66.3	Low	65 Å²	65	57.7 Å²	57.7	67%	0.67	31%	0.311	S	S	*	.	S	Bend	trans	68.1	-6	178.7	0	0	0	0	0	116	I785	I785-G789 VanDerWaalsContact O-CA 3.26Å; I785-G789 WeakPolarHBondContact O-CA 3.36Å; I785-G789 PolarHBondContact O-N 2.99Å
790	M	63.6	Low	67.3	Low	58 Å²	58	63.4 Å²	63.4	29%	0.286	34%	0.338	S	S	.	.			trans	-128.7	117.2	-175.6	-68.7	-171.6	168.7	0	0	111.6	T788 R795 E842	T788-M790 PolarHBondContact O-N 2.86Å; M790-R795 HydrophobicContact CB-CG 4.05Å; M790-E842 WeakPolarHBondContact CE-OE2 3.35Å
791	S	64.4	Low	68.1	Low	11 Å²	11	61.9 Å²	61.9	8%	0.077	33%	0.33	C	S	.	.			trans	-62.6	156.6	175.8	74.4	0	0	0	0	112.5	I785 T793 S794 R795	I785-S791 VanDerWaalsContact CD1-CB 3.48Å; I785-S791 VanDerWaalsContact CG1-CA 3.41Å; I785-S791 VanDerWaalsContact CG1-CB 3.42Å; S791-T793 PolarHBondContact O-N 3.33Å; S791-T793 PolarHBondContact OG-OG1 3.28Å; S791-S794 PolarHBondContact O-N 3.48Å; S791-S794 WeakPolarHBondContact OG-CB 3.12Å; S791-S794 PolarHBondContact OG-N 3.21Å; S791-S794 PolarHBondContact OG-OG 3.47Å; S791-R795 WeakPolarHBondContact O-CG 3.43Å; S791-R795 PolarHBondContact O-N 3.22Å
792	A	64.9	Low	68.8	Low	41 Å²	41	62.3 Å²	62.3	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-61.2	-32.2	174.6	0	0	0	0	0	111.4	D782 K796	D782-A792 VanDerWaalsContact OD2-CB 3.28Å; D782-A792 WeakPolarHBondContact OD2-CB 3.08Å; D782-A792 PolarHBondContact OD2-N 2.77Å; A792-K796 WeakPolarHBondContact O-CB 3.47Å; A792-K796 WeakPolarHBondContact O-CG 3.19Å; A792-K796 PolarHBondContact O-N 3.26Å
793	T	66.5	Low	69.7	Low	38 Å²	38	65.8 Å²	65.8	23%	0.233	35%	0.349	C	S	.	.	H	α-helix	trans	-68.3	-32.8	170.9	44	0	0	0	0	113.6	D775 S791 R797	D775-T793 WeakPolarHBondContact OD1-CG2 3.47Å; D775-T793 PolarHBondContact OD1-OG1 2.89Å; D775-T793 VanDerWaalsContact OD2-CG2 3.3Å; D775-T793 WeakPolarHBondContact OD2-CG2 3.48Å; S791-T793 PolarHBondContact O-N 3.33Å; S791-T793 PolarHBondContact OG-OG1 3.28Å; T793-R797 WeakPolarHBondContact O-CB 3.39Å; T793-R797 VanDerWaalsContact O-CG 3.23Å; T793-R797 WeakPolarHBondContact O-CG 3.49Å; T793-R797 PolarHBondContact O-N 2.99Å
794	S	67.2	Low	70.6	Confident	46 Å²	46	65 Å²	65	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-78.3	-37.3	178.3	-58.5	0	0	0	0	111.8	S791 R797 K798	S791-S794 PolarHBondContact O-N 3.48Å; S791-S794 WeakPolarHBondContact OG-CB 3.12Å; S791-S794 PolarHBondContact OG-N 3.21Å; S791-S794 PolarHBondContact OG-OG 3.47Å; S794-R797 PolarHBondContact O-N 3.44Å; S794-K798 WeakPolarHBondContact O-CB 3.42Å; S794-K798 PolarHBondContact O-N 3.07Å
795	R	71.7	Confident	71.6	Confident	109 Å²	109	63.2 Å²	63.2	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-50.4	169.6	-66.8	178.2	-177.3	-140.5	2.8	111.3	T788 M790 S791 R797 K798 E799	T788-R795 VanDerWaalsContact CB-NH2 3.27Å; T788-R795 PolarHBondContact OG1-NH2 2.8Å; M790-R795 HydrophobicContact CB-CG 4.05Å; S791-R795 WeakPolarHBondContact O-CG 3.43Å; S791-R795 PolarHBondContact O-N 3.22Å; R795-R797 PolarHBondContact O-N 2.99Å; R795-K798 WeakPolarHBondContact O-CA 3.49Å; R795-K798 WeakPolarHBondContact O-CB 3.09Å; R795-K798 PolarHBondContact O-N 3.04Å; R795-E799 WeakPolarHBondContact O-CG 3.03Å; R795-E799 PolarHBondContact O-N 3.03Å
796	K	75.9	Confident	72.4	Confident	129 Å²	129	64.7 Å²	64.7	56%	0.561	34%	0.344	S	S	*	.	H	α-helix	trans	-59.4	-42.6	174.7	-76.6	-179.4	175.6	-177	0	113	A792 K798 E799 E800	A792-K796 WeakPolarHBondContact O-CB 3.47Å; A792-K796 WeakPolarHBondContact O-CG 3.19Å; A792-K796 PolarHBondContact O-N 3.26Å; K796-K798 VanDerWaalsContact C-N 3.3Å; K796-K798 PolarHBondContact O-N 3.46Å; K796-E799 PolarHBondContact O-N 3.04Å; K796-E800 WeakPolarHBondContact O-CB 3.35Å; K796-E800 WeakPolarHBondContact O-CG 3.29Å; K796-E800 PolarHBondContact O-N 3.29Å
797	R	75.1	Confident	73.3	Confident	115 Å²	115	67.1 Å²	67.1	43%	0.434	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-35.9	173.1	-76.8	173.1	-169.2	162.2	8.8	112.7	T793 S794 R795 L801 M839	T793-R797 WeakPolarHBondContact O-CB 3.39Å; T793-R797 VanDerWaalsContact O-CG 3.23Å; T793-R797 WeakPolarHBondContact O-CG 3.49Å; T793-R797 PolarHBondContact O-N 2.99Å; S794-R797 PolarHBondContact O-N 3.44Å; R795-R797 PolarHBondContact O-N 2.99Å; R797-L801 WeakPolarHBondContact O-CB 3.38Å; R797-L801 PolarHBondContact O-N 3.47Å; R797-M839 HydrophobicContact CB-CE 4.2Å
798	K	76.2	Confident	74.2	Confident	55 Å²	55	65 Å²	65	24%	0.239	34%	0.338	C	S	.	.	H	α-helix	trans	-67.9	-41.1	175.8	-178	172.5	177.8	165.3	0	111.3	S794 R795 K796 A802 E842	S794-K798 WeakPolarHBondContact O-CB 3.42Å; S794-K798 PolarHBondContact O-N 3.07Å; R795-K798 WeakPolarHBondContact O-CA 3.49Å; R795-K798 WeakPolarHBondContact O-CB 3.09Å; R795-K798 PolarHBondContact O-N 3.04Å; K796-K798 VanDerWaalsContact C-N 3.3Å; K796-K798 PolarHBondContact O-N 3.46Å; K798-A802 WeakPolarHBondContact O-CB 3.33Å; K798-A802 PolarHBondContact O-N 3.47Å; K798-E842 HydrophobicContact CD-CB 4.44Å; K798-E842 VanDerWaalsContact CE-O 3.31Å; K798-E842 WeakPolarHBondContact CE-O 3.17Å; K798-E842 IonicContact NZ-OE2 2.71Å; K798-E842 PolarHBondContact NZ-OE2 3.17Å
799	E	80.2	Confident	74.9	Confident	119 Å²	119	61.9 Å²	61.9	56%	0.556	32%	0.318	S	S	*	.	H	α-helix	trans	-62.9	-49.2	171.9	-68.7	160.3	-174.5	0	0	111.4	R795 K796 L801 A802 E803	R795-E799 WeakPolarHBondContact O-CG 3.03Å; R795-E799 PolarHBondContact O-N 3.03Å; K796-E799 PolarHBondContact O-N 3.04Å; E799-L801 PolarHBondContact O-N 3.36Å; E799-A802 PolarHBondContact O-N 3.28Å; E799-E803 WeakPolarHBondContact O-CB 3.3Å; E799-E803 PolarHBondContact O-N 3.42Å
800	E	82.4	Confident	75.7	Confident	123 Å²	123	64 Å²	64	58%	0.575	31%	0.314	S	S	*	.	H	α-helix	trans	-59.4	-42.2	176	-73.4	164.7	-174.4	0	0	112.4	K796 E803 A804	K796-E800 WeakPolarHBondContact O-CB 3.35Å; K796-E800 WeakPolarHBondContact O-CG 3.29Å; K796-E800 PolarHBondContact O-N 3.29Å; E800-E803 PolarHBondContact O-N 3.37Å; E800-A804 WeakPolarHBondContact O-CB 3.25Å; E800-A804 PolarHBondContact O-N 2.96Å
801	L	81.8	Confident	76.2	Confident	20 Å²	20	65.6 Å²	65.6	11%	0.105	33%	0.33	C	S	.	.	H	α-helix	trans	-76	-34.9	-179.5	-158.5	158.6	0	0	0	111.3	R797 E799 A804 L805 I835 A843	R797-L801 WeakPolarHBondContact O-CB 3.38Å; R797-L801 PolarHBondContact O-N 3.47Å; E799-L801 PolarHBondContact O-N 3.36Å; L801-A804 PolarHBondContact O-N 3.2Å; L801-L805 HydrophobicContact CD2-CD1 3.84Å; L801-L805 HydrophobicContact CD2-CG 4.37Å; L801-L805 WeakPolarHBondContact O-CB 3.46Å; L801-L805 PolarHBondContact O-N 3.38Å; L801-I835 HydrophobicContact CD1-CD1 4.04Å; L801-I835 HydrophobicContact CD1-CG1 4.17Å; L801-I835 HydrophobicContact CD1-CG2 4Å; L801-A843 HydrophobicContact CD2-CB 3.64Å
802	A	81.3	Confident	76.6	Confident	11 Å²	11	69 Å²	69	9%	0.091	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-43.1	168.5	0	0	0	0	0	111.4	K798 E799 A804 L805 K806 A843 L847	K798-A802 WeakPolarHBondContact O-CB 3.33Å; K798-A802 PolarHBondContact O-N 3.47Å; E799-A802 PolarHBondContact O-N 3.28Å; A802-A804 PolarHBondContact O-N 2.87Å; A802-L805 WeakPolarHBondContact O-CB 3.29Å; A802-L805 PolarHBondContact O-N 3.37Å; A802-K806 VanDerWaalsContact O-CB 3.31Å; A802-K806 WeakPolarHBondContact O-CB 3.4Å; A802-K806 PolarHBondContact O-N 3.04Å; A802-A843 HydrophobicContact CB-CB 4.4Å; A802-L847 HydrophobicContact CB-CD1 4.4Å; A802-L847 HydrophobicContact CB-CD2 4.21Å; A802-L847 HydrophobicContact CB-CG 4.06Å
803	E	82.7	Confident	76.2	Confident	108 Å²	108	69.4 Å²	69.4	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-41.6	172	-87.9	-160.4	-152.5	0	0	112.4	E799 E800 K806 K807	E799-E803 WeakPolarHBondContact O-CB 3.3Å; E799-E803 PolarHBondContact O-N 3.42Å; E800-E803 PolarHBondContact O-N 3.37Å; E803-K806 PolarHBondContact O-N 3.19Å; E803-K807 WeakPolarHBondContact O-CB 3.5Å; E803-K807 WeakPolarHBondContact O-CD 3.38Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.14Å; E803-K807 WeakPolarHBondContact OE2-CE 3.49Å; E803-K807 IonicContact OE2-NZ 2.72Å; E803-K807 PolarHBondContact OE2-NZ 3.42Å
804	A	80.8	Confident	75.7	Confident	43 Å²	43	77.4 Å²	77.4	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-44.5	176.9	0	0	0	0	0	111.7	E800 L801 A802 K807 L808	E800-A804 WeakPolarHBondContact O-CB 3.25Å; E800-A804 PolarHBondContact O-N 2.96Å; L801-A804 PolarHBondContact O-N 3.2Å; A802-A804 PolarHBondContact O-N 2.87Å; A804-K807 PolarHBondContact O-N 3.42Å; A804-L808 WeakPolarHBondContact O-CB 3.42Å; A804-L808 PolarHBondContact O-N 3.08Å
805	L	80.7	Confident	75.2	Confident	0 Å²	0	79 Å²	79	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-54.5	-50.2	169.2	-91.5	161.2	0	0	0	111.3	L801 A802 K807 L808 I809 I827 F840 A843 L844 L847	L801-L805 HydrophobicContact CD2-CD1 3.84Å; L801-L805 HydrophobicContact CD2-CG 4.37Å; L801-L805 WeakPolarHBondContact O-CB 3.46Å; L801-L805 PolarHBondContact O-N 3.38Å; A802-L805 WeakPolarHBondContact O-CB 3.29Å; A802-L805 PolarHBondContact O-N 3.37Å; L805-K807 PolarHBondContact O-N 3.17Å; L805-L808 PolarHBondContact O-N 3.13Å; L805-I809 HydrophobicContact CD2-CD1 4.17Å; L805-I809 WeakPolarHBondContact O-CB 3.44Å; L805-I809 VanDerWaalsContact O-CG1 3.24Å; L805-I809 WeakPolarHBondContact O-CG1 3.42Å; L805-I809 PolarHBondContact O-N 3.4Å; L805-I827 HydrophobicContact CD2-CD1 3.29Å; L805-I827 HydrophobicContact CG-CD1 3.53Å; L805-F840 HydrophobicContact CD2-CE2 3.98Å; L805-A843 HydrophobicContact CD1-CB 3.62Å; L805-L844 HydrophobicContact CD1-CD2 4.3Å; L805-L844 HydrophobicContact CD1-CG 4.32Å; L805-L844 HydrophobicContact CD2-CD2 4.02Å; L805-L847 HydrophobicContact CB-CD1 3.46Å; L805-L847 VanDerWaalsContact CB-CD1 3.46Å; L805-L847 HydrophobicContact CD1-CD1 4.03Å; L805-L847 HydrophobicContact CG-CD1 4.31Å
806	K	80.9	Confident	74.7	Confident	65 Å²	65	78.8 Å²	78.8	28%	0.283	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-47.4	-179.6	-152.7	162.3	-161.6	162.8	0	110.7	A802 E803 L810 L847 D850 F852	A802-K806 VanDerWaalsContact O-CB 3.31Å; A802-K806 WeakPolarHBondContact O-CB 3.4Å; A802-K806 PolarHBondContact O-N 3.04Å; E803-K806 PolarHBondContact O-N 3.19Å; K806-L810 WeakPolarHBondContact O-CB 3.4Å; K806-L810 WeakPolarHBondContact O-CD1 3.48Å; K806-L810 WeakPolarHBondContact O-CG 3.48Å; K806-L810 PolarHBondContact O-N 3.32Å; K806-L847 HydrophobicContact CB-CD2 4.28Å; K806-L847 HydrophobicContact CD-CD2 3.88Å; K806-L847 HydrophobicContact CG-CD2 4.29Å; K806-D850 IonicContact NZ-OD2 3.77Å; K806-D850 PolarHBondContact NZ-OD2 2.78Å; K806-F852 HydrophobicContact CB-CE1 4.46Å; K806-F852 HydrophobicContact CD-CD1 4.43Å; K806-F852 HydrophobicContact CG-CD1 3.95Å; K806-F852 HydrophobicContact CG-CE1 3.63Å; K806-F852 HydrophobicContact CG-CZ 3.95Å
807	K	81.6	Confident	74.2	Confident	125 Å²	125	75.1 Å²	75.1	54%	0.543	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-42.9	176.3	-69.3	160.1	-167.1	166	0	112.3	E803 A804 L805 S811	E803-K807 WeakPolarHBondContact O-CB 3.5Å; E803-K807 WeakPolarHBondContact O-CD 3.38Å; E803-K807 WeakPolarHBondContact O-CG 3.4Å; E803-K807 PolarHBondContact O-N 3.14Å; E803-K807 WeakPolarHBondContact OE2-CE 3.49Å; E803-K807 IonicContact OE2-NZ 2.72Å; E803-K807 PolarHBondContact OE2-NZ 3.42Å; A804-K807 PolarHBondContact O-N 3.42Å; L805-K807 PolarHBondContact O-N 3.17Å; K807-S811 WeakPolarHBondContact O-CB 3.43Å; K807-S811 PolarHBondContact O-N 3.17Å; K807-S811 PolarHBondContact O-OG 3.3Å
808	L	78.1	Confident	73.9	Confident	17 Å²	17	71 Å²	71	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-47.9	178.1	-87.8	167.9	0	0	0	112.5	A804 L805 L810 S811 K812 I827	A804-L808 WeakPolarHBondContact O-CB 3.42Å; A804-L808 PolarHBondContact O-N 3.08Å; L805-L808 PolarHBondContact O-N 3.13Å; L808-L810 VanDerWaalsContact C-N 3.32Å; L808-L810 PolarHBondContact O-N 2.86Å; L808-S811 PolarHBondContact O-N 3.49Å; L808-S811 VanDerWaalsContact O-N 3.15Å; L808-S811 PolarHBondContact O-OG 2.89Å; L808-K812 PolarHBondContact O-N 2.93Å; L808-K812 VanDerWaalsContact O-N 3.07Å; L808-I827 HydrophobicContact CD1-CD1 4.01Å; L808-I827 HydrophobicContact CD1-CG1 3.32Å
809	I	76.4	Confident	73.9	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-41.6	179.6	-66.6	165.9	0	0	0	110.4	L805 K812 G813 L818 L823 L853 L862	L805-I809 HydrophobicContact CD2-CD1 4.17Å; L805-I809 WeakPolarHBondContact O-CB 3.44Å; L805-I809 VanDerWaalsContact O-CG1 3.24Å; L805-I809 WeakPolarHBondContact O-CG1 3.42Å; L805-I809 PolarHBondContact O-N 3.4Å; I809-K812 PolarHBondContact O-N 3.08Å; I809-G813 PolarHBondContact O-N 3.48Å; I809-L818 HydrophobicContact CG1-CD1 4.47Å; I809-L818 HydrophobicContact CG2-CD1 4.28Å; I809-L823 HydrophobicContact CG1-CD2 4.02Å; I809-L853 HydrophobicContact CD1-CD1 3.71Å; I809-L853 HydrophobicContact CD1-CD2 3.95Å; I809-L853 HydrophobicContact CD1-CG 4.5Å; I809-L853 HydrophobicContact CG2-CD2 4.23Å; I809-L862 HydrophobicContact CG2-CD1 3.87Å; I809-L862 HydrophobicContact CG2-CD2 3.79Å; I809-L862 HydrophobicContact CG2-CG 3.96Å
810	L	76.6	Confident	73.7	Confident	111 Å²	111	70.7 Å²	70.7	58%	0.581	38%	0.381	S	S	*	.	H	α-helix	trans	-60.5	-45.6	172.2	-73.3	168.6	0	0	0	112.3	K806 L808 K812 G813 F852	K806-L810 WeakPolarHBondContact O-CB 3.4Å; K806-L810 WeakPolarHBondContact O-CD1 3.48Å; K806-L810 WeakPolarHBondContact O-CG 3.48Å; K806-L810 PolarHBondContact O-N 3.32Å; L808-L810 VanDerWaalsContact C-N 3.32Å; L808-L810 PolarHBondContact O-N 2.86Å; L810-K812 PolarHBondContact O-N 3.3Å; L810-G813 PolarHBondContact O-N 2.91Å; L810-G813 VanDerWaalsContact O-N 3.08Å; L810-F852 HydrophobicContact CD2-CZ 4.07Å; L810-F852 HydrophobicContact CG-CZ 4.09Å
811	S	75.8	Confident	73.5	Confident	91 Å²	91	71.1 Å²	71.1	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-65.3	-24.4	179.8	69.2	0	0	0	0	114.2	K807 L808	K807-S811 WeakPolarHBondContact O-CB 3.43Å; K807-S811 PolarHBondContact O-N 3.17Å; K807-S811 PolarHBondContact O-OG 3.3Å; L808-S811 PolarHBondContact O-N 3.49Å; L808-S811 VanDerWaalsContact O-N 3.15Å; L808-S811 PolarHBondContact O-OG 2.89Å
812	K	71.1	Confident	73.4	Confident	81 Å²	81	75.1 Å²	75.1	35%	0.352	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.7	174.1	-64	-165.9	178.6	-165.4	0	113.9	L808 I809 L810 K814 D826	L808-K812 PolarHBondContact O-N 2.93Å; L808-K812 VanDerWaalsContact O-N 3.07Å; I809-K812 PolarHBondContact O-N 3.08Å; L810-K812 PolarHBondContact O-N 3.3Å; K812-K814 VanDerWaalsContact C-N 3.29Å; K812-K814 PolarHBondContact O-N 3.24Å; K812-D826 IonicContact NZ-OD1 3.41Å; K812-D826 PolarHBondContact NZ-OD1 3.1Å; K812-D826 IonicContact NZ-OD2 2.68Å; K812-D826 PolarHBondContact NZ-OD2 3.28Å
813	G	56.5	Low	73.2	Confident	51 Å²	51	74.8 Å²	74.8	53%	0.526	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	60.6	-170	0	0	0	0	0	117.5	I809 L810	I809-G813 PolarHBondContact O-N 3.48Å; L810-G813 PolarHBondContact O-N 2.91Å; L810-G813 VanDerWaalsContact O-N 3.08Å
814	K	56.2	Low	73.1	Confident	205 Å²	205	71.5 Å²	71.5	89%	0.891	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	2	170.5	-72.4	-171.4	176.6	179.5	0	114.7	K812	K812-K814 VanDerWaalsContact C-N 3.29Å; K812-K814 PolarHBondContact O-N 3.24Å
815	T	57.7	Low	73.1	Confident	79 Å²	79	75.5 Å²	75.5	49%	0.485	39%	0.393	S	S	.	.			trans	-138.4	124.3	175	50	0	0	0	0	110.5	A817	T815-A817 PolarHBondContact O-N 2.74Å; T815-A817 VanDerWaalsContact O-N 3.15Å
816	P	61.2	Low	72.9	Confident	106 Å²	106	78.2 Å²	78.2	69%	0.688	41%	0.408	S	S	*	.	S	Bend	trans	-76.1	1.7	-173.2	31.2	-37	0	0	0	115	R861	P816-R861 WeakPolarHBondContact O-CA 3.39Å
817	A	64.5	Low	72.9	Confident	51 Å²	51	75.6 Å²	75.6	42%	0.421	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.8	175.3	0	0	0	0	0	110.3	T815 V860 R861	T815-A817 PolarHBondContact O-N 2.74Å; T815-A817 VanDerWaalsContact O-N 3.15Å; A817-V860 WeakPolarHBondContact CA-O 3.41Å; A817-R861 HydrophobicContact CB-CG 4.43Å
818	L	69.5	Low	72.8	Confident	28 Å²	28	76.9 Å²	76.9	15%	0.147	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.8	178.9	-69.8	166.1	0	0	0	110.1	I809 L823 T859 V860	I809-L818 HydrophobicContact CG1-CD1 4.47Å; I809-L818 HydrophobicContact CG2-CD1 4.28Å; L818-L823 HydrophobicContact CB-CD1 3.84Å; L818-L823 HydrophobicContact CB-CG 4.28Å; L818-L823 HydrophobicContact CD1-CD1 4.3Å; L818-L823 HydrophobicContact CD1-CD2 4.27Å; L818-T859 WeakPolarHBondContact O-CA 3.41Å; L818-V860 PolarHBondContact N-O 2.77Å; L818-V860 PolarHBondContact O-N 3Å
819	K	75.2	Confident	72.7	Confident	130 Å²	130	79.3 Å²	79.3	57%	0.565	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.3	177.8	-66.3	-175.5	-178.2	175.7	0	110.2	Q821 Q822 L823	K819-Q821 VanDerWaalsContact C-N 3.29Å; K819-Q821 PolarHBondContact O-N 3.46Å; K819-Q822 HydrophobicContact CB-CB 4.44Å; K819-Q822 HydrophobicContact CB-CG 4.21Å; K819-Q822 PolarHBondContact O-N 2.71Å; K819-Q822 VanDerWaalsContact O-N 3.12Å; K819-L823 PolarHBondContact O-N 3.44Å
820	Y	77.9	Confident	72.6	Confident	38 Å²	38	86.3 Å²	86.3	15%	0.149	46%	0.46	C	S	.	.	H	α-helix	trans	-49	-46.6	179.4	178.7	-80	0	0	0	113.3	Q822 L823 F824 F840 E841 L844 K858	Y820-Q822 PolarHBondContact O-N 3.11Å; Y820-L823 PolarHBondContact O-N 2.88Å; Y820-F824 PolarHBondContact O-N 3.09Å; Y820-F824 VanDerWaalsContact O-N 3.17Å; Y820-F840 HydrophobicContact CD2-CE1 4.14Å; Y820-F840 HydrophobicContact CE1-CE1 4.09Å; Y820-F840 HydrophobicContact CE2-CD1 4.15Å; Y820-F840 AromaticContact CE2-CE1 3.68Å; Y820-F840 HydrophobicContact CE2-CE1 3.68Å; Y820-F840 AromaticContact CZ-CD1 3.86Å; Y820-F840 AromaticContact CZ-CE1 3.62Å; Y820-E841 HydrophobicContact CE2-CG 4.34Å; Y820-E841 WeakPolarHBondContact OH-CG 3.19Å; Y820-E841 PolarHBondContact OH-OE1 2.89Å; Y820-L844 HydrophobicContact CD2-CD1 4.22Å; Y820-L844 HydrophobicContact CE2-CD1 3.98Å; Y820-K858 VanDerWaalsContact CB-O 3.32Å; Y820-K858 WeakPolarHBondContact CB-O 3.44Å; Y820-K858 PolarHBondContact N-O 3.22Å
821	Q	78.1	Confident	72.1	Confident	132 Å²	132	82.7 Å²	82.7	62%	0.617	44%	0.444	S	S	*	.	H	α-helix	trans	-64.9	-38.9	-177.5	-67.8	175	-77.2	0	0	112.8	K819 F824 E825	K819-Q821 VanDerWaalsContact C-N 3.29Å; K819-Q821 PolarHBondContact O-N 3.46Å; Q821-F824 PolarHBondContact O-N 3.35Å; Q821-E825 WeakPolarHBondContact O-CG 3.33Å; Q821-E825 PolarHBondContact O-N 3.41Å
822	Q	77.9	Confident	71.4	Confident	105 Å²	105	86.9 Å²	86.9	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-68.9	-42.9	-178.9	-65.6	-178.3	-60.9	0	0	110.7	K819 Y820 F824 E825 D826	K819-Q822 HydrophobicContact CB-CB 4.44Å; K819-Q822 HydrophobicContact CB-CG 4.21Å; K819-Q822 PolarHBondContact O-N 2.71Å; K819-Q822 VanDerWaalsContact O-N 3.12Å; Y820-Q822 PolarHBondContact O-N 3.11Å; Q822-F824 VanDerWaalsContact C-N 3.29Å; Q822-F824 PolarHBondContact O-N 3.4Å; Q822-E825 PolarHBondContact O-N 3.4Å; Q822-D826 WeakPolarHBondContact O-CB 3.45Å; Q822-D826 PolarHBondContact O-N 2.78Å
823	L	78.1	Confident	71.1	Confident	4 Å²	4	89.3 Å²	89.3	2%	0.021	48%	0.475	C	S	.	.	H	α-helix	trans	-59.8	-37.5	173.9	-78.9	170.4	0	0	0	112.8	I809 L818 K819 Y820 I827 F840 V860	I809-L823 HydrophobicContact CG1-CD2 4.02Å; L818-L823 HydrophobicContact CB-CD1 3.84Å; L818-L823 HydrophobicContact CB-CG 4.28Å; L818-L823 HydrophobicContact CD1-CD1 4.3Å; L818-L823 HydrophobicContact CD1-CD2 4.27Å; K819-L823 PolarHBondContact O-N 3.44Å; Y820-L823 PolarHBondContact O-N 2.88Å; L823-I827 WeakPolarHBondContact O-CB 3.46Å; L823-I827 PolarHBondContact O-N 2.87Å; L823-I827 VanDerWaalsContact O-N 3.16Å; L823-F840 HydrophobicContact CB-CE2 4.37Å; L823-F840 HydrophobicContact CB-CZ 3.94Å; L823-V860 HydrophobicContact CD1-CB 4.15Å; L823-V860 HydrophobicContact CD1-CG2 4.03Å
824	F	81.4	Confident	71.5	Confident	39 Å²	39	90.9 Å²	90.9	17%	0.171	48%	0.482	C	S	.	.	H	α-helix	trans	-68.6	-42.6	176.5	-175.7	-107.6	0	0	0	112.2	Y820 Q821 Q822 R828 I835 F840	Y820-F824 PolarHBondContact O-N 3.09Å; Y820-F824 VanDerWaalsContact O-N 3.17Å; Q821-F824 PolarHBondContact O-N 3.35Å; Q822-F824 VanDerWaalsContact C-N 3.29Å; Q822-F824 PolarHBondContact O-N 3.4Å; F824-R828 VanDerWaalsContact O-CB 3.26Å; F824-R828 WeakPolarHBondContact O-CB 3.44Å; F824-R828 PolarHBondContact O-N 3.07Å; F824-I835 HydrophobicContact CE2-CG2 4.47Å; F824-F840 HydrophobicContact CB-CE1 4.06Å; F824-F840 HydrophobicContact CB-CE2 4.19Å; F824-F840 HydrophobicContact CB-CZ 3.89Å; F824-F840 HydrophobicContact CD2-CB 3.91Å; F824-F840 AromaticContact CD2-CD1 3.82Å; F824-F840 HydrophobicContact CD2-CD1 3.82Å; F824-F840 AromaticContact CD2-CD2 3.87Å; F824-F840 HydrophobicContact CD2-CD2 3.87Å; F824-F840 HydrophobicContact CD2-CE1 4.23Å; F824-F840 HydrophobicContact CD2-CE2 4.27Å; F824-F840 AromaticContact CD2-CG 3.62Å; F824-F840 HydrophobicContact CD2-CG 3.62Å; F824-F840 HydrophobicContact CD2-CZ 4.43Å; F824-F840 HydrophobicContact CE2-CB 4.03Å; F824-F840 HydrophobicContact CE2-CG 4.26Å
825	E	79.9	Confident	72.4	Confident	127 Å²	127	82.3 Å²	82.3	59%	0.593	45%	0.446	S	S	*	.	H	α-helix	trans	-69.5	-40.8	177.3	-72.4	171.4	174.4	0	0	112.5	Q821 Q822 I827 R828 G829	Q821-E825 WeakPolarHBondContact O-CG 3.33Å; Q821-E825 PolarHBondContact O-N 3.41Å; Q822-E825 PolarHBondContact O-N 3.4Å; E825-I827 PolarHBondContact O-N 2.93Å; E825-R828 PolarHBondContact O-N 3.01Å; E825-G829 PolarHBondContact O-N 3.33Å
826	D	76.9	Confident	73.3	Confident	57 Å²	57	81.9 Å²	81.9	31%	0.305	44%	0.444	S	S	.	.	H	α-helix	trans	-55.9	-49.2	173.1	-78.1	-57.2	0	0	0	111.4	K812 Q822 G829 Q830	K812-D826 IonicContact NZ-OD1 3.41Å; K812-D826 PolarHBondContact NZ-OD1 3.1Å; K812-D826 IonicContact NZ-OD2 2.68Å; K812-D826 PolarHBondContact NZ-OD2 3.28Å; Q822-D826 WeakPolarHBondContact O-CB 3.45Å; Q822-D826 PolarHBondContact O-N 2.78Å; D826-G829 PolarHBondContact O-N 3Å; D826-Q830 PolarHBondContact O-N 3.42Å
827	I	79.4	Confident	74.1	Confident	10 Å²	10	81.9 Å²	81.9	5%	0.051	43%	0.433	C	S	.	.	H	α-helix	trans	-67.5	-46.3	-178.5	-83.7	165.1	0	0	0	111.1	L805 L808 L823 E825 G829 Q830 S831 I835 F840	L805-I827 HydrophobicContact CD2-CD1 3.29Å; L805-I827 HydrophobicContact CG-CD1 3.53Å; L808-I827 HydrophobicContact CD1-CD1 4.01Å; L808-I827 HydrophobicContact CD1-CG1 3.32Å; L823-I827 WeakPolarHBondContact O-CB 3.46Å; L823-I827 PolarHBondContact O-N 2.87Å; L823-I827 VanDerWaalsContact O-N 3.16Å; E825-I827 PolarHBondContact O-N 2.93Å; I827-G829 PolarHBondContact O-N 3.15Å; I827-Q830 PolarHBondContact O-N 3.47Å; I827-Q830 VanDerWaalsContact O-N 3.09Å; I827-S831 PolarHBondContact O-N 3.01Å; I827-S831 PolarHBondContact O-OG 2.9Å; I827-I835 HydrophobicContact CG2-CD1 3.41Å; I827-I835 VanDerWaalsContact CG2-CD1 3.41Å; I827-F840 HydrophobicContact CD1-CD2 4.28Å; I827-F840 HydrophobicContact CD1-CE2 3.84Å
828	R	79.4	Confident	74.7	Confident	151 Å²	151	84.3 Å²	84.3	57%	0.57	44%	0.439	S	S	*	.	H	α-helix	trans	-62.8	-28.2	176	-171.5	177	-179.9	-171	1.6	112.5	F824 E825 S831	F824-R828 VanDerWaalsContact O-CB 3.26Å; F824-R828 WeakPolarHBondContact O-CB 3.44Å; F824-R828 PolarHBondContact O-N 3.07Å; E825-R828 PolarHBondContact O-N 3.01Å; R828-S831 PolarHBondContact O-OG 3.3Å
829	G	76.6	Confident	75	Confident	69 Å²	69	86.4 Å²	86.4	71%	0.711	45%	0.449	S	S	*	.	H	α-helix	trans	-78.9	-17.5	175	0	0	0	0	0	114.9	E825 D826 I827	E825-G829 PolarHBondContact O-N 3.33Å; D826-G829 PolarHBondContact O-N 3Å; I827-G829 PolarHBondContact O-N 3.15Å
830	Q	73.7	Confident	75.2	Confident	148 Å²	148	80.2 Å²	80.2	69%	0.692	42%	0.422	S	S	*	.	H	α-helix	trans	-94.3	-11	173.2	-73.3	-165.1	-17.1	0	0	113.9	D826 I827	D826-Q830 PolarHBondContact O-N 3.42Å; I827-Q830 PolarHBondContact O-N 3.47Å; I827-Q830 VanDerWaalsContact O-N 3.09Å
831	S	67.5	Low	75.3	Confident	34 Å²	34	80.7 Å²	80.7	24%	0.238	43%	0.425	C	S	.	.			trans	-111.7	123.2	-174	63	0	0	0	0	113.1	I827 R828 I833 I835	I827-S831 PolarHBondContact O-N 3.01Å; I827-S831 PolarHBondContact O-OG 2.9Å; R828-S831 PolarHBondContact O-OG 3.3Å; S831-I833 PolarHBondContact O-N 3.15Å; S831-I833 PolarHBondContact OG-O 3.01Å; S831-I833 VanDerWaalsContact OG-O 3.12Å; S831-I835 WeakPolarHBondContact OG-CD1 3.32Å
832	D	60.5	Low	75.3	Confident	180 Å²	180	77.4 Å²	77.4	96%	0.963	41%	0.41	S	S	*	.	S	Bend	trans	-64.5	-5	168.8	-65.5	-42.9	0	0	0	113.7
833	I	64	Low	75.4	Confident	132 Å²	132	72.4 Å²	72.4	68%	0.677	39%	0.387	S	S	*	.	S	Bend	trans	-109.9	136.4	-176.6	-58.5	176.4	0	0	0	109.3	S831 I835	S831-I833 PolarHBondContact O-N 3.15Å; S831-I833 PolarHBondContact OG-O 3.01Å; S831-I833 VanDerWaalsContact OG-O 3.12Å; I833-I835 PolarHBondContact O-N 3.29Å
834	A	66.8	Low	75.5	Confident	83 Å²	83	72.4 Å²	72.4	69%	0.686	39%	0.387	S	S	*	.			trans	-69.7	93.9	176.8	0	0	0	0	0	111.8	T836	A834-T836 PolarHBondContact O-N 3.45Å
835	I	74.6	Confident	75.5	Confident	26 Å²	26	77.3 Å²	77.3	13%	0.133	40%	0.404	C	S	.	.			trans	-69.8	125.5	172.7	-66.4	169	0	0	0	109.6	L801 F824 I827 S831 I833 F840	L801-I835 HydrophobicContact CD1-CD1 4.04Å; L801-I835 HydrophobicContact CD1-CG1 4.17Å; L801-I835 HydrophobicContact CD1-CG2 4Å; F824-I835 HydrophobicContact CE2-CG2 4.47Å; I827-I835 HydrophobicContact CG2-CD1 3.41Å; I827-I835 VanDerWaalsContact CG2-CD1 3.41Å; S831-I835 WeakPolarHBondContact OG-CD1 3.32Å; I833-I835 PolarHBondContact O-N 3.29Å; I835-F840 HydrophobicContact CG2-CB 4.41Å
836	T	76.9	Confident	75.5	Confident	70 Å²	70	72.5 Å²	72.5	43%	0.429	39%	0.386	S	S	.	.			trans	-80.1	157.3	174.6	62.9	0	0	0	0	111.2	A834 D838 M839 F840	A834-T836 PolarHBondContact O-N 3.45Å; T836-D838 PolarHBondContact O-N 3.02Å; T836-M839 WeakPolarHBondContact OG1-CG 3.23Å; T836-F840 PolarHBondContact O-N 3.4Å
837	K	77.1	Confident	75.7	Confident	105 Å²	105	69.9 Å²	69.9	46%	0.457	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-36.1	179.1	-178.1	172.9	165.8	-71.6	0	111.9	F840 E841	K837-F840 PolarHBondContact O-N 3.43Å; K837-E841 WeakPolarHBondContact CE-OE1 3.38Å; K837-E841 IonicContact NZ-OE1 2.65Å; K837-E841 PolarHBondContact NZ-OE1 3.24Å; K837-E841 PolarHBondContact O-N 3.12Å
838	D	77.5	Confident	75.6	Confident	103 Å²	103	71 Å²	71	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-74	-39.9	-174.2	-41.5	-57.1	0	0	0	111.5	T836 F840 E841 E842	T836-D838 PolarHBondContact O-N 3.02Å; D838-F840 VanDerWaalsContact C-N 3.26Å; D838-F840 PolarHBondContact O-N 3.04Å; D838-E841 PolarHBondContact O-N 2.92Å; D838-E842 WeakPolarHBondContact O-CB 3.27Å; D838-E842 PolarHBondContact O-N 3.44Å
839	M	74.7	Confident	75.7	Confident	71 Å²	71	70.2 Å²	70.2	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-34.6	172.2	-70.6	-175.8	75.4	0	0	112.4	R797 T836 A843	R797-M839 HydrophobicContact CB-CE 4.2Å; T836-M839 WeakPolarHBondContact OG1-CG 3.23Å; M839-A843 WeakPolarHBondContact O-CB 3.42Å; M839-A843 PolarHBondContact O-N 2.8Å; M839-A843 VanDerWaalsContact O-N 3.08Å
840	F	79.8	Confident	75.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-72	-42.6	175.3	175.4	-93.7	0	0	0	112.3	L805 Y820 L823 F824 I827 I835 T836 K837 D838 E842 A843 L844	L805-F840 HydrophobicContact CD2-CE2 3.98Å; Y820-F840 HydrophobicContact CD2-CE1 4.14Å; Y820-F840 HydrophobicContact CE1-CE1 4.09Å; Y820-F840 HydrophobicContact CE2-CD1 4.15Å; Y820-F840 AromaticContact CE2-CE1 3.68Å; Y820-F840 HydrophobicContact CE2-CE1 3.68Å; Y820-F840 AromaticContact CZ-CD1 3.86Å; Y820-F840 AromaticContact CZ-CE1 3.62Å; L823-F840 HydrophobicContact CB-CE2 4.37Å; L823-F840 HydrophobicContact CB-CZ 3.94Å; F824-F840 HydrophobicContact CB-CE1 4.06Å; F824-F840 HydrophobicContact CB-CE2 4.19Å; F824-F840 HydrophobicContact CB-CZ 3.89Å; F824-F840 HydrophobicContact CD2-CB 3.91Å; F824-F840 AromaticContact CD2-CD1 3.82Å; F824-F840 HydrophobicContact CD2-CD1 3.82Å; F824-F840 AromaticContact CD2-CD2 3.87Å; F824-F840 HydrophobicContact CD2-CD2 3.87Å; F824-F840 HydrophobicContact CD2-CE1 4.23Å; F824-F840 HydrophobicContact CD2-CE2 4.27Å; F824-F840 AromaticContact CD2-CG 3.62Å; F824-F840 HydrophobicContact CD2-CG 3.62Å; F824-F840 HydrophobicContact CD2-CZ 4.43Å; F824-F840 HydrophobicContact CE2-CB 4.03Å; F824-F840 HydrophobicContact CE2-CG 4.26Å; I827-F840 HydrophobicContact CD1-CD2 4.28Å; I827-F840 HydrophobicContact CD1-CE2 3.84Å; I835-F840 HydrophobicContact CG2-CB 4.41Å; T836-F840 PolarHBondContact O-N 3.4Å; K837-F840 PolarHBondContact O-N 3.43Å; D838-F840 VanDerWaalsContact C-N 3.26Å; D838-F840 PolarHBondContact O-N 3.04Å; F840-E842 VanDerWaalsContact C-N 3.34Å; F840-A843 PolarHBondContact O-N 2.76Å; F840-L844 HydrophobicContact CD1-CD1 3.88Å; F840-L844 HydrophobicContact CE1-CD1 3.4Å; F840-L844 VanDerWaalsContact CE1-CD1 3.4Å; F840-L844 HydrophobicContact CE1-CG 4.33Å; F840-L844 HydrophobicContact CZ-CD1 3.82Å; F840-L844 HydrophobicContact CZ-CG 4.48Å; F840-L844 WeakPolarHBondContact O-CB 3.29Å; F840-L844 WeakPolarHBondContact O-CG 3.36Å; F840-L844 PolarHBondContact O-N 3.5Å
841	E	80.9	Confident	75.9	Confident	49 Å²	49	70.7 Å²	70.7	23%	0.229	38%	0.381	C	S	.	.	H	α-helix	trans	-63.4	-39.5	173.6	-75.7	-168	-157.1	0	0	112.4	Y820 K837 D838 L844 R845	Y820-E841 HydrophobicContact CE2-CG 4.34Å; Y820-E841 WeakPolarHBondContact OH-CG 3.19Å; Y820-E841 PolarHBondContact OH-OE1 2.89Å; K837-E841 WeakPolarHBondContact CE-OE1 3.38Å; K837-E841 IonicContact NZ-OE1 2.65Å; K837-E841 PolarHBondContact NZ-OE1 3.24Å; K837-E841 PolarHBondContact O-N 3.12Å; D838-E841 PolarHBondContact O-N 2.92Å; E841-L844 PolarHBondContact O-N 3.32Å; E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 2.63Å; E841-R845 IonicContact OE2-NH2 2.65Å; E841-R845 PolarHBondContact OE2-NH2 3.41Å; E841-R845 VanDerWaalsContact OE2-NH2 3.14Å
842	E	78.2	Confident	76.2	Confident	63 Å²	63	71.2 Å²	71.2	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-67.2	-37.9	176.6	-82.7	-159.3	-163.6	0	0	113.9	M790 K798 D838 F840 R845 A846	M790-E842 WeakPolarHBondContact CE-OE2 3.35Å; K798-E842 HydrophobicContact CD-CB 4.44Å; K798-E842 VanDerWaalsContact CE-O 3.31Å; K798-E842 WeakPolarHBondContact CE-O 3.17Å; K798-E842 IonicContact NZ-OE2 2.71Å; K798-E842 PolarHBondContact NZ-OE2 3.17Å; D838-E842 WeakPolarHBondContact O-CB 3.27Å; D838-E842 PolarHBondContact O-N 3.44Å; F840-E842 VanDerWaalsContact C-N 3.34Å; E842-R845 PolarHBondContact O-N 3.02Å; E842-A846 PolarHBondContact O-N 3.11Å
843	A	78.9	Confident	76.9	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.8	-33.5	174.7	0	0	0	0	0	111.6	L801 A802 L805 M839 F840 L847	L801-A843 HydrophobicContact CD2-CB 3.64Å; A802-A843 HydrophobicContact CB-CB 4.4Å; L805-A843 HydrophobicContact CD1-CB 3.62Å; M839-A843 WeakPolarHBondContact O-CB 3.42Å; M839-A843 PolarHBondContact O-N 2.8Å; M839-A843 VanDerWaalsContact O-N 3.08Å; F840-A843 PolarHBondContact O-N 2.76Å; A843-L847 WeakPolarHBondContact O-CG 3.49Å; A843-L847 PolarHBondContact O-N 2.95Å; A843-L847 VanDerWaalsContact O-N 3.07Å
844	L	80.6	Confident	77.4	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-35.7	169.5	-78.4	177	0	0	0	112.9	L805 Y820 F840 E841 L847 A848 L853 V860	L805-L844 HydrophobicContact CD1-CD2 4.3Å; L805-L844 HydrophobicContact CD1-CG 4.32Å; L805-L844 HydrophobicContact CD2-CD2 4.02Å; Y820-L844 HydrophobicContact CD2-CD1 4.22Å; Y820-L844 HydrophobicContact CE2-CD1 3.98Å; F840-L844 HydrophobicContact CD1-CD1 3.88Å; F840-L844 HydrophobicContact CE1-CD1 3.4Å; F840-L844 VanDerWaalsContact CE1-CD1 3.4Å; F840-L844 HydrophobicContact CE1-CG 4.33Å; F840-L844 HydrophobicContact CZ-CD1 3.82Å; F840-L844 HydrophobicContact CZ-CG 4.48Å; F840-L844 WeakPolarHBondContact O-CB 3.29Å; F840-L844 WeakPolarHBondContact O-CG 3.36Å; F840-L844 PolarHBondContact O-N 3.5Å; E841-L844 PolarHBondContact O-N 3.32Å; L844-L847 PolarHBondContact O-N 2.88Å; L844-A848 PolarHBondContact O-N 3Å; L844-A848 VanDerWaalsContact O-N 3.13Å; L844-L853 HydrophobicContact CD2-CD1 3.84Å; L844-V860 HydrophobicContact CD1-CG2 4.37Å; L844-V860 HydrophobicContact CD2-CG2 4.34Å
845	R	80.9	Confident	77.6	Confident	141 Å²	141	58.1 Å²	58.1	53%	0.532	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-48.6	172.4	-72.5	174.9	-152.7	166.1	10.8	110.8	E841 E842 L847 A848 D849	E841-R845 WeakPolarHBondContact O-CG 3.39Å; E841-R845 PolarHBondContact O-N 2.63Å; E841-R845 IonicContact OE2-NH2 2.65Å; E841-R845 PolarHBondContact OE2-NH2 3.41Å; E841-R845 VanDerWaalsContact OE2-NH2 3.14Å; E842-R845 PolarHBondContact O-N 3.02Å; R845-L847 VanDerWaalsContact C-N 3.25Å; R845-L847 PolarHBondContact O-N 3.4Å; R845-A848 CarbonylContact O-C 3.59Å; R845-A848 WeakPolarHBondContact O-CA 3.47Å; R845-A848 WeakPolarHBondContact O-CB 3.22Å; R845-A848 PolarHBondContact O-N 3.48Å; R845-D849 PolarHBondContact O-N 3.47Å; R845-D849 VanDerWaalsContact O-OD2 3.11Å
846	A	81.1	Confident	77.4	Confident	26 Å²	26	59.9 Å²	59.9	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-56.4	-38.3	176.1	0	0	0	0	0	112.7	E842 A848 D849 D850	E842-A846 PolarHBondContact O-N 3.11Å; A846-A848 VanDerWaalsContact C-N 3.3Å; A846-A848 PolarHBondContact O-N 2.98Å; A846-D849 PolarHBondContact O-N 3.04Å; A846-D850 WeakPolarHBondContact O-CB 3.33Å; A846-D850 PolarHBondContact O-N 3.14Å
847	L	79.6	Confident	77.2	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-75	-12.9	174.6	-70.3	173.6	0	0	0	114.7	A802 L805 K806 A843 L844 R845 F852 L853	A802-L847 HydrophobicContact CB-CD1 4.4Å; A802-L847 HydrophobicContact CB-CD2 4.21Å; A802-L847 HydrophobicContact CB-CG 4.06Å; L805-L847 HydrophobicContact CB-CD1 3.46Å; L805-L847 VanDerWaalsContact CB-CD1 3.46Å; L805-L847 HydrophobicContact CD1-CD1 4.03Å; L805-L847 HydrophobicContact CG-CD1 4.31Å; K806-L847 HydrophobicContact CB-CD2 4.28Å; K806-L847 HydrophobicContact CD-CD2 3.88Å; K806-L847 HydrophobicContact CG-CD2 4.29Å; A843-L847 WeakPolarHBondContact O-CG 3.49Å; A843-L847 PolarHBondContact O-N 2.95Å; A843-L847 VanDerWaalsContact O-N 3.07Å; L844-L847 PolarHBondContact O-N 2.88Å; R845-L847 VanDerWaalsContact C-N 3.25Å; R845-L847 PolarHBondContact O-N 3.4Å; L847-F852 HydrophobicContact CD2-CD1 4.42Å; L847-F852 WeakPolarHBondContact O-CA 3.21Å; L847-F852 WeakPolarHBondContact O-CB 3.37Å; L847-F852 PolarHBondContact O-N 3.15Å; L847-F852 VanDerWaalsContact O-N 3.11Å; L847-L853 HydrophobicContact CB-CD1 3.63Å; L847-L853 HydrophobicContact CB-CG 4.14Å; L847-L853 HydrophobicContact CD1-CD1 3.92Å; L847-L853 HydrophobicContact CG-CD1 4.44Å; L847-L853 PolarHBondContact O-N 3.13Å; L847-L853 VanDerWaalsContact O-N 3.08Å
848	A	79.1	Confident	76.9	Confident	33 Å²	33	63.3 Å²	63.3	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-90.7	-34.6	169.2	0	0	0	0	0	111.6	L844 R845 A846 D850 D851 L853	L844-A848 PolarHBondContact O-N 3Å; L844-A848 VanDerWaalsContact O-N 3.13Å; R845-A848 CarbonylContact O-C 3.59Å; R845-A848 WeakPolarHBondContact O-CA 3.47Å; R845-A848 WeakPolarHBondContact O-CB 3.22Å; R845-A848 PolarHBondContact O-N 3.48Å; A846-A848 VanDerWaalsContact C-N 3.3Å; A846-A848 PolarHBondContact O-N 2.98Å; A848-D850 PolarHBondContact O-N 2.96Å; A848-D851 PolarHBondContact O-N 3.4Å; A848-D851 VanDerWaalsContact O-N 3.07Å; A848-L853 WeakPolarHBondContact CA-O 3.39Å; A848-L853 WeakPolarHBondContact CB-O 3.12Å
849	D	79.9	Confident	76.5	Confident	135 Å²	135	60.7 Å²	60.7	72%	0.722	33%	0.331	S	S	*	.	H	α-helix	trans	-64	-29.9	169.9	-54.7	-40.5	0	0	0	111.2	R845 A846 D851	R845-D849 PolarHBondContact O-N 3.47Å; R845-D849 VanDerWaalsContact O-OD2 3.11Å; A846-D849 PolarHBondContact O-N 3.04Å; D849-D851 PolarHBondContact O-N 2.76Å
850	D	80.4	Confident	76.4	Confident	98 Å²	98	57.5 Å²	57.5	52%	0.524	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	1.3	170.4	-109	20.7	0	0	0	114.4	K806 A846 A848 F852	K806-D850 IonicContact NZ-OD2 3.77Å; K806-D850 PolarHBondContact NZ-OD2 2.78Å; A846-D850 WeakPolarHBondContact O-CB 3.33Å; A846-D850 PolarHBondContact O-N 3.14Å; A848-D850 PolarHBondContact O-N 2.96Å; D850-F852 HydrophobicContact CB-CB 4.36Å; D850-F852 PolarHBondContact O-N 3.18Å
851	D	74.6	Confident	75.9	Confident	129 Å²	129	63.9 Å²	63.9	69%	0.69	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	18.1	-169.7	-86.4	-36.5	0	0	0	114.8	A848 D849 L863	A848-D851 PolarHBondContact O-N 3.4Å; A848-D851 VanDerWaalsContact O-N 3.07Å; D849-D851 PolarHBondContact O-N 2.76Å; D851-L863 VanDerWaalsContact O-CD1 3.23Å; D851-L863 WeakPolarHBondContact O-CD1 3.34Å
852	F	74.3	Confident	75.3	Confident	45 Å²	45	64.2 Å²	64.2	20%	0.197	34%	0.342	C	S	.	.	S	Bend	trans	-86.7	-25.8	-176.9	-172.5	-109.3	0	0	0	113.4	K806 L810 L847 D850 L862	K806-F852 HydrophobicContact CB-CE1 4.46Å; K806-F852 HydrophobicContact CD-CD1 4.43Å; K806-F852 HydrophobicContact CG-CD1 3.95Å; K806-F852 HydrophobicContact CG-CE1 3.63Å; K806-F852 HydrophobicContact CG-CZ 3.95Å; L810-F852 HydrophobicContact CD2-CZ 4.07Å; L810-F852 HydrophobicContact CG-CZ 4.09Å; L847-F852 HydrophobicContact CD2-CD1 4.42Å; L847-F852 WeakPolarHBondContact O-CA 3.21Å; L847-F852 WeakPolarHBondContact O-CB 3.37Å; L847-F852 PolarHBondContact O-N 3.15Å; L847-F852 VanDerWaalsContact O-N 3.11Å; D850-F852 HydrophobicContact CB-CB 4.36Å; D850-F852 PolarHBondContact O-N 3.18Å; F852-L862 HydrophobicContact CE1-CD2 4.03Å; F852-L862 HydrophobicContact CE2-CD2 4.38Å; F852-L862 HydrophobicContact CZ-CD2 3.9Å
853	L	74.7	Confident	74.5	Confident	2 Å²	2	68.7 Å²	68.7	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.1	-176.3	-56.9	174.8	0	0	0	112	I809 L844 L847 A848 V860 R861 L862	I809-L853 HydrophobicContact CD1-CD1 3.71Å; I809-L853 HydrophobicContact CD1-CD2 3.95Å; I809-L853 HydrophobicContact CD1-CG 4.5Å; I809-L853 HydrophobicContact CG2-CD2 4.23Å; L844-L853 HydrophobicContact CD2-CD1 3.84Å; L847-L853 HydrophobicContact CB-CD1 3.63Å; L847-L853 HydrophobicContact CB-CG 4.14Å; L847-L853 HydrophobicContact CD1-CD1 3.92Å; L847-L853 HydrophobicContact CG-CD1 4.44Å; L847-L853 PolarHBondContact O-N 3.13Å; L847-L853 VanDerWaalsContact O-N 3.08Å; A848-L853 WeakPolarHBondContact CA-O 3.39Å; A848-L853 WeakPolarHBondContact CB-O 3.12Å; L853-V860 HydrophobicContact CB-CG1 4.19Å; L853-V860 HydrophobicContact CD1-CG1 4.03Å; L853-V860 HydrophobicContact CD2-CG1 4.03Å; L853-V860 HydrophobicContact CG-CG1 4.32Å; L853-R861 WeakPolarHBondContact CA-O 3.48Å; L853-L862 HydrophobicContact CD2-CD2 3.81Å; L853-L862 HydrophobicContact CD2-CG 4.23Å
854	T	74.6	Confident	74.2	Confident	51 Å²	51	72.1 Å²	72.1	31%	0.313	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.6	163.2	44.6	0	0	0	0	111.4	T856 R861 L863	T854-T856 PolarHBondContact O-N 2.84Å; T854-R861 PolarHBondContact N-O 3.2Å; T854-R861 PolarHBondContact O-N 2.86Å; T854-L863 HydrophobicContact CG2-CD1 3.84Å; T854-L863 HydrophobicContact CG2-CD2 3.94Å; T854-L863 HydrophobicContact CG2-CG 3.86Å
855	V	71.3	Confident	73.9	Confident	68 Å²	68	75.7 Å²	75.7	41%	0.412	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	109.3	176.1	-176.1	0	0	0	0	109.3
856	T	71.3	Confident	73.5	Confident	62 Å²	62	72.1 Å²	72.1	38%	0.38	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	86.8	179.2	42.6	0	0	0	0	109.9	T854 K858 T859	T854-T856 PolarHBondContact O-N 2.84Å; T856-K858 PolarHBondContact O-N 3.32Å; T856-K858 VanDerWaalsContact O-N 3.16Å; T856-T859 CarbonylContact C-O 3.6Å; T856-T859 PolarHBondContact N-O 2.96Å; T856-T859 PolarHBondContact O-N 3.11Å; T856-T859 VanDerWaalsContact O-N 3.12Å; T856-T859 PolarHBondContact O-OG1 3.15Å; T856-T859 PolarHBondContact OG1-O 3.45Å; T856-T859 PolarHBondContact OG1-OG1 2.9Å
857	G	72.6	Confident	73.1	Confident	67 Å²	67	74.8 Å²	74.8	69%	0.691	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-113.4	-178.3	0	0	0	0	0	112.2
858	K	69.5	Low	72.7	Confident	181 Å²	181	79.3 Å²	79.3	79%	0.787	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	3.5	-179.9	-63.8	-175.5	179.8	-179.4	0	114.1	Y820 T856	Y820-K858 VanDerWaalsContact CB-O 3.32Å; Y820-K858 WeakPolarHBondContact CB-O 3.44Å; Y820-K858 PolarHBondContact N-O 3.22Å; T856-K858 PolarHBondContact O-N 3.32Å; T856-K858 VanDerWaalsContact O-N 3.16Å
859	T	70.3	Confident	72.2	Confident	48 Å²	48	82.4 Å²	82.4	29%	0.294	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.3	177.3	44.8	0	0	0	0	111.7	L818 T856	L818-T859 WeakPolarHBondContact O-CA 3.41Å; T856-T859 CarbonylContact C-O 3.6Å; T856-T859 PolarHBondContact N-O 2.96Å; T856-T859 PolarHBondContact O-N 3.11Å; T856-T859 VanDerWaalsContact O-N 3.12Å; T856-T859 PolarHBondContact O-OG1 3.15Å; T856-T859 PolarHBondContact OG1-O 3.45Å; T856-T859 PolarHBondContact OG1-OG1 2.9Å
860	V	72.3	Confident	71.7	Confident	4 Å²	4	78.6 Å²	78.6	2%	0.024	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.6	167.5	-176.5	0	0	0	0	107.3	A817 L818 L823 L844 L853	A817-V860 WeakPolarHBondContact CA-O 3.41Å; L818-V860 PolarHBondContact N-O 2.77Å; L818-V860 PolarHBondContact O-N 3Å; L823-V860 HydrophobicContact CD1-CB 4.15Å; L823-V860 HydrophobicContact CD1-CG2 4.03Å; L844-V860 HydrophobicContact CD1-CG2 4.37Å; L844-V860 HydrophobicContact CD2-CG2 4.34Å; L853-V860 HydrophobicContact CB-CG1 4.19Å; L853-V860 HydrophobicContact CD1-CG1 4.03Å; L853-V860 HydrophobicContact CD2-CG1 4.03Å; L853-V860 HydrophobicContact CG-CG1 4.32Å
861	R	69.3	Low	71	Confident	133 Å²	133	77.2 Å²	77.2	50%	0.502	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	145.6	171.6	-64.3	-178.3	-176.1	-165.1	-0.9	109.5	P816 A817 L853 T854	P816-R861 WeakPolarHBondContact O-CA 3.39Å; A817-R861 HydrophobicContact CB-CG 4.43Å; L853-R861 WeakPolarHBondContact CA-O 3.48Å; T854-R861 PolarHBondContact N-O 3.2Å; T854-R861 PolarHBondContact O-N 2.86Å
862	L	67.6	Low	70.7	Confident	56 Å²	56	72.8 Å²	72.8	29%	0.293	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	148.1	162.6	-78.3	152.7	0	0	0	108.7	I809 F852 L853	I809-L862 HydrophobicContact CG2-CD1 3.87Å; I809-L862 HydrophobicContact CG2-CD2 3.79Å; I809-L862 HydrophobicContact CG2-CG 3.96Å; F852-L862 HydrophobicContact CE1-CD2 4.03Å; F852-L862 HydrophobicContact CE2-CD2 4.38Å; F852-L862 HydrophobicContact CZ-CD2 3.9Å; L853-L862 HydrophobicContact CD2-CD2 3.81Å; L853-L862 HydrophobicContact CD2-CG 4.23Å
863	L	60.8	Low	70.4	Confident	157 Å²	157	75.4 Å²	75.4	82%	0.822	41%	0.412	S	S	*	.			trans	-85.6	0	165.6	-80.3	167.1	0	0	0	110.6	D851 T854	D851-L863 VanDerWaalsContact O-CD1 3.23Å; D851-L863 WeakPolarHBondContact O-CD1 3.34Å; T854-L863 HydrophobicContact CG2-CD1 3.84Å; T854-L863 HydrophobicContact CG2-CD2 3.94Å; T854-L863 HydrophobicContact CG2-CG 3.86Å

Retrieved 863 of 863 residues in 303.3 ms (Link to these results)

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