H9G2L2_MACMU Loading...

Probable ATP-dependent RNA helicase DDX46

Component of the 17S U2 SnRNP complex of the spliceosome, a large ribonucleoprotein complex that removes introns from transcribed pre-mRNAs. The 17S U2 SnRNP complex (1) directly participates in early spliceosome assembly and (2) mediates recognition of the intron branch site during pre-mRNA splicing by promoting the selection of the pre-mRNA branch-site adenosine, the nucleophile for the first step of splicing. Within the 17S U2 SnRNP complex, DDX46 plays essential roles during assembly of pre-spliceosome and proofreading of the branch site.

AlphaFold DB , UniProt , Accession H9G2L2, Species MACMU (Macaca mulatta, Rhesus macaque), Gene DDX46, Length 1,032 aa.

						>H9G2L2_MACMU|H9G2L2|DDX46
MGRESRHYRKRSASRGRSGSRSRSRSPSDKRSKRGDDRRSRSRDRDRRRERSRSRDKRRSRSRDRKRLRRSRSRERDRSRERRRSRSRDRRRSRSRSRGRRSRSSSPGNKSKKIENRSRSKEKTDGGESSKEKKKDKDDKEDEKEKDAGNFDQNKLEEEMRKRKERVEKWREEQRKKAMENIGELKKEIEEMKQGKKWSLEDDDDDEDDPAEAEKEGNEMEGEELDPLDAYMEEVKEEVKKFNMRSVKGGGGNEKKSGPTVTKVVTVVTTKKAVVDSDKKKGELMENDQDAMEYSSEEEEVDLQTALTGYQTKQRKLLEPVDHGKIEYEPFRKNFYVEVPELAKMSQEEVNVFRLEMEGITVKGKGCPKPIKSWVQCGISMKILNSLKKHGYEKPTPIQTQAIPAIMSGRDLIGIAKTGSGKTIAFLLPMFRHIMDQRSLEEGEGPIAVIMTPTRELALQITKECKKFSKTLGLRVVCVYGGTGISEQIAELKRGAEIIVCTPGRMIDMLAANSGRVTNLRRVTYVVLDEADRMFDMGFEPQVMRIVDNVRPDRQTVMFSATFPRAMEALARRILSKPIEVQVGGRSVVCSDVEQQVIVIEEEKKFLKLLELLGHYQESGSVIIFVDKQEHADGLLKDLMRASYPCMSLHGGIDQYDRDSIINDFKNGTCKLLVATSVAARGLDVKHLILVVNYSCPNHYEDYVHRAGRTGRAGNKGYAYTFITEDQARYAGDIIKALELSGTAVPPDLEKLWSDFKDQQKAEGKIIKKSSGFSGKGFKFDETEQALANERKKLQKAALGLQDSDDEDAAVDIDEQIESMFNSKKRVKDMAAPGTSSVPAPTAGNAEKLEIAKRLALRINAQKNLGIESQVDVMQQATNAILRGGTILAPTVSAKTIAEQLAEKINAKLNYVPLEKQEEERQDGGQNESFKRYEEELEINDFPQTARWKVTSKEALQRISEYSEAAITIRGTYFPPGKEPKEGERKIYLAIESANELAVQKAKAEITRLIKEELIRLQNSYQPTNKGRYKVL
					

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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	32.8	Very low	33.7	Very low	247 Å²	247	193.5 Å²	193.5	100%	1.217	88%	0.877	S	S	*	*				0	118.1	0	-51.2	172.2	-169.2	0	0	104.7
2	G	33.6	Very low	33.5	Very low	76 Å²	76	187.8 Å²	187.8	78%	0.784	88%	0.876	S	S	*	*			cis	94.2	122.9	35.3	0	0	0	0	0	107.8
3	R	35.7	Very low	33.5	Very low	216 Å²	216	180.5 Å²	180.5	82%	0.815	87%	0.868	S	S	*	*			cis	-141.2	156.9	14.8	-90.2	-180	142.6	145.1	-1.1	110.9
4	E	40.4	Very low	33.5	Very low	150 Å²	150	175.1 Å²	175.1	70%	0.701	86%	0.858	S	S	*	*				47.2	137.9	98.3	-38.3	179.8	96.8	0	0	114.7
5	S	34.2	Very low	33.5	Very low	115 Å²	115	180 Å²	180	80%	0.804	86%	0.864	S	S	*	*			cis	-155.5	165.5	41.9	-60.4	0	0	0	0	115.9
6	R	36.6	Very low	33.3	Very low	224 Å²	224	173.7 Å²	173.7	85%	0.845	86%	0.86	S	S	*	*			trans	-87.1	166.1	178.2	-60.5	164.6	170.5	157.2	-5.6	112.8
7	H	33.2	Very low	33.5	Very low	199 Å²	199	177.7 Å²	177.7	92%	0.921	86%	0.864	S	S	*	*			trans	-118.1	161.6	154.1	-112	-93.8	0	0	0	112.2
8	Y	31.7	Very low	33.4	Very low	204 Å²	204	174.7 Å²	174.7	80%	0.8	86%	0.864	S	S	*	*			trans	-125.9	143.5	-153.6	-132.2	-92.3	0	0	0	113.8
9	R	30.2	Very low	33.2	Very low	239 Å²	239	169.4 Å²	169.4	90%	0.902	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-85.9	131.7	165.2	-91.3	-179.2	167.2	167.7	-4.2	110.4
10	K	30.5	Very low	33.3	Very low	211 Å²	211	167 Å²	167	92%	0.917	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-88	152	169.8	-84.4	-174.3	175	178.2	0	112.2
11	R	31.9	Very low	33.2	Very low	248 Å²	248	171.2 Å²	171.2	94%	0.936	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-97.4	160.7	165.4	-68.9	175.9	170.7	172.8	-4.4	110.1
12	S	31.9	Very low	33.3	Very low	124 Å²	124	164.7 Å²	164.7	87%	0.867	84%	0.841	S	S	*	*			trans	-140.4	153.8	159.3	54.5	0	0	0	0	109.5
13	A	32.5	Very low	33.1	Very low	94 Å²	94	173.1 Å²	173.1	78%	0.777	85%	0.85	S	S	*	*			trans	-163.8	163	-175.5	0	0	0	0	0	114.3
14	S	34	Very low	33.1	Very low	104 Å²	104	167.8 Å²	167.8	73%	0.727	85%	0.845	S	S	*	*			trans	89.2	155.2	154.7	83	0	0	0	0	120.8
15	R	32.9	Very low	32.6	Very low	249 Å²	249	172.4 Å²	172.4	94%	0.94	86%	0.856	S	S	*	*			trans	74.9	144.6	177.7	-51.2	172.6	-178.9	-170.4	-2.4	113.9
16	G	31.2	Very low	32.6	Very low	79 Å²	79	172.3 Å²	172.3	81%	0.814	86%	0.856	S	S	*	*			cis	166.8	168.1	-5	0	0	0	0	0	109.5
17	R	35.8	Very low	33.2	Very low	242 Å²	242	166.9 Å²	166.9	91%	0.913	85%	0.849	S	S	*	*			cis	-168.2	158.2	-7	-177.6	-177.1	-178.6	-139.6	2.3	108.7
18	S	33	Very low	33.2	Very low	124 Å²	124	162.7 Å²	162.7	87%	0.867	84%	0.842	S	S	*	*			trans	79.2	159.4	170.2	83.5	0	0	0	0	117
19	G	29	Very low	33.3	Very low	73 Å²	73	158.9 Å²	158.9	75%	0.753	84%	0.836	S	S	*	*			cis	-132.8	-173.4	4.3	0	0	0	0	0	114.6
20	S	34.3	Very low	33.3	Very low	121 Å²	121	155 Å²	155	85%	0.846	83%	0.826	S	S	*	*			trans	-145.1	157.7	-165.1	56.9	0	0	0	0	114.6
21	R	31.1	Very low	33.4	Very low	256 Å²	256	156.1 Å²	156.1	97%	0.966	82%	0.824	S	S	*	*			trans	-155.5	161.5	154.9	-113.4	168.1	-172.9	175.8	2.3	111
22	S	35.4	Very low	33.5	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	81%	0.811	S	S	*	*			trans	-144.2	161	-161.1	56.7	0	0	0	0	112.6
23	R	29.9	Very low	33.6	Very low	254 Å²	254	152.4 Å²	152.4	96%	0.958	81%	0.811	S	S	*	*			trans	-170	162.4	140.8	-106.7	159.9	-173.6	-170.1	0.7	112
24	S	35.3	Very low	33.5	Very low	103 Å²	103	159.6 Å²	159.6	72%	0.72	82%	0.818	S	S	*	*			trans	-141.6	154.4	-178	54	0	0	0	0	109.9
25	R	29.4	Very low	33.4	Very low	247 Å²	247	157.9 Å²	157.9	93%	0.932	82%	0.817	S	S	*	*			trans	174.4	138.1	149.7	-98.6	156.6	-173.4	-159.3	-0.3	112.1
26	S	35.3	Very low	33.4	Very low	114 Å²	114	153.7 Å²	153.7	80%	0.797	81%	0.813	S	S	*	*			trans	-95.1	-171.9	157.9	-31.3	0	0	0	0	108.3
27	P	48.4	Very low	33.5	Very low	109 Å²	109	155.6 Å²	155.6	71%	0.708	80%	0.804	S	S	*	*			cis	-153.7	-177	39	44.4	-22.7	0	0	0	119.1
28	S	32.8	Very low	33.2	Very low	111 Å²	111	154.5 Å²	154.5	78%	0.776	80%	0.8	S	S	*	*			trans	72.4	144.4	148.7	77.7	0	0	0	0	118.6
29	D	33.8	Very low	33.3	Very low	124 Å²	124	160.3 Å²	160.3	66%	0.663	80%	0.803	S	S	*	*			cis	-145.7	-132.1	0.3	-158.9	-5.6	0	0	0	109.1
30	K	31.3	Very low	33.5	Very low	159 Å²	159	162.9 Å²	162.9	69%	0.691	81%	0.81	S	S	*	*			cis	-158.2	103.5	-3.3	-145.6	154.4	-151.5	74.9	0	113.7
31	R	32.5	Very low	33.4	Very low	233 Å²	233	168.8 Å²	168.8	88%	0.879	81%	0.814	S	S	*	*			trans	62.4	164.1	162.1	-71.4	178.6	174.6	176.2	-2.7	119.3
32	S	33.7	Very low	33.3	Very low	95 Å²	95	162.6 Å²	162.6	66%	0.664	81%	0.809	S	S	*	*			cis	178.8	132.9	-46.9	55.6	0	0	0	0	111.9
33	K	33.3	Very low	33.2	Very low	199 Å²	199	167.9 Å²	167.9	87%	0.865	81%	0.812	S	S	*	*			trans	-177.7	135.8	137.2	-106	167.8	-176.2	178	0	114.4
34	R	31.9	Very low	33.3	Very low	245 Å²	245	162 Å²	162	93%	0.925	80%	0.8	S	S	*	*			trans	-1.5	151.3	152.5	-52.2	173.8	-178.1	178	-2.5	119.2
35	G	30.4	Very low	33	Very low	68 Å²	68	166.8 Å²	166.8	70%	0.701	80%	0.802	S	S	*	*			cis	141	125	-1.5	0	0	0	0	0	113.4
36	D	33.9	Very low	33.1	Very low	162 Å²	162	160 Å²	160	87%	0.866	78%	0.784	S	S	*	*			trans	32.4	130.6	161.8	-49.5	-34.4	0	0	0	122.5
37	D	32.3	Very low	32.9	Very low	118 Å²	118	163.4 Å²	163.4	63%	0.631	78%	0.78	S	S	*	*				145.8	157.5	91.9	-144.1	-14.2	0	0	0	115.6
38	R	30.4	Very low	32.1	Very low	219 Å²	219	167.7 Å²	167.7	83%	0.826	78%	0.782	S	S	*	*			trans	76.4	139.6	151.6	-88.7	158.1	-123.7	-146.8	0.2	123.9
39	R	35.6	Very low	32	Very low	247 Å²	247	171.3 Å²	171.3	93%	0.932	78%	0.779	S	S	*	*			trans	-89.3	153.7	-179.8	-47.2	153.2	175.7	161.3	-4	110.9
40	S	31.8	Very low	31.8	Very low	127 Å²	127	170.1 Å²	170.1	89%	0.888	77%	0.769	S	S	*	*			trans	-154.5	163.7	148.6	60.2	0	0	0	0	112.3
41	R	32.1	Very low	31.8	Very low	245 Å²	245	172.5 Å²	172.5	93%	0.925	77%	0.774	S	S	*	*			trans	-120.2	147.6	-178.8	-55.6	165	173.7	147.2	-8.4	109.4
42	S	30.2	Very low	31.8	Very low	125 Å²	125	165.3 Å²	165.3	87%	0.874	76%	0.759	S	S	*	*			trans	-165.6	-178.7	145.3	55.7	0	0	0	0	110.9
43	R	32.4	Very low	31.7	Very low	222 Å²	222	172.1 Å²	172.1	84%	0.838	77%	0.77	S	S	*	*			trans	-125.2	179.4	-174.3	-77.4	-179.7	171.8	158.2	-3.2	110.6
44	D	31.6	Very low	31.6	Very low	131 Å²	131	167.9 Å²	167.9	70%	0.701	77%	0.766	S	S	*	*			trans	86.4	154.4	151.3	-64.5	-55.7	0	0	0	116.9
45	R	30.7	Very low	31.6	Very low	202 Å²	202	166.5 Å²	166.5	76%	0.762	76%	0.76	S	S	*	*			cis	-178.6	153.1	-32.6	-158.9	178.6	-163.7	171.6	4.6	106.6
46	D	30.8	Very low	31.8	Very low	104 Å²	104	168 Å²	168	56%	0.556	75%	0.752	S	S	*	*			trans	64.9	158.4	159.5	-88.3	13.1	0	0	0	116.2
47	R	30.9	Very low	31.8	Very low	187 Å²	187	168.7 Å²	168.7	71%	0.706	75%	0.748	S	S	*	*			cis	-172.1	165.1	-24.8	-121.1	178.3	-165.7	142.6	-5.4	110.2
48	R	31.1	Very low	31.8	Very low	199 Å²	199	173.9 Å²	173.9	75%	0.751	76%	0.758	S	S	*	*			trans	69.5	162.3	156.2	-69.1	166.2	174.3	-159.9	2.5	114.8
49	R	30.7	Very low	32	Very low	187 Å²	187	174.8 Å²	174.8	71%	0.706	76%	0.762	S	S	*	*			cis	-166.5	-178.3	-9.1	-113.1	171.6	165.6	-155.3	6.9	107.4
50	E	31.1	Very low	31.9	Very low	98 Å²	98	167.5 Å²	167.5	46%	0.458	75%	0.748	S	S	.	*			cis	-158.6	176	4.7	-142.7	167.6	-114.1	0	0	111.5
51	R	29.7	Very low	31.9	Very low	210 Å²	210	172.5 Å²	172.5	79%	0.792	75%	0.748	S	S	*	*			trans	78.1	147.4	151.3	-70.5	160.7	-158.3	-159.7	4.3	121.5
52	S	33.1	Very low	32	Very low	81 Å²	81	165.4 Å²	165.4	57%	0.566	74%	0.736	S	S	*	*			cis	-174.5	158.4	-25.6	57.8	0	0	0	0	114.4
53	R	30.8	Very low	32.2	Very low	238 Å²	238	170.2 Å²	170.2	90%	0.898	74%	0.735	S	S	*	*			trans	73	143.5	162.2	-62.7	158.1	-179.1	171.1	-0.9	115.1
54	S	32.5	Very low	32.3	Very low	111 Å²	111	164.2 Å²	164.2	78%	0.776	72%	0.719	S	S	*	*			cis	-158.3	-163.7	-10.9	51.6	0	0	0	0	108
55	R	31.8	Very low	32.5	Very low	215 Å²	215	167.5 Å²	167.5	81%	0.811	72%	0.722	S	S	*	*			cis	-161.3	149	8	-175.2	175.6	171.7	-178.8	-1.4	109
56	D	34.1	Very low	32.5	Very low	100 Å²	100	166.1 Å²	166.1	54%	0.535	72%	0.721	S	S	.	*			trans	26.2	145.6	155.6	-64.5	-27.1	0	0	0	123.8
57	K	33.9	Very low	32.7	Very low	176 Å²	176	171.5 Å²	171.5	77%	0.765	73%	0.734	S	S	*	*			cis	-153.7	-136.1	-1.5	-112.6	156.4	-169	139.4	0	108.6
58	R	33	Very low	32.7	Very low	228 Å²	228	168.6 Å²	168.6	86%	0.86	73%	0.732	S	S	*	*			cis	-145.9	2.5	-1.9	-153.5	179.1	-179.4	-173.8	0.5	116.7
59	R	33.8	Very low	32.8	Very low	238 Å²	238	169.7 Å²	169.7	90%	0.898	74%	0.736	S	S	*	*			trans	92.8	168.2	171.4	-47.6	159	169.2	171.5	-3.4	116.5
60	S	33.8	Very low	32.7	Very low	93 Å²	93	172.5 Å²	172.5	65%	0.65	75%	0.747	S	S	*	*			cis	-158.9	144.2	11.9	-19.9	0	0	0	0	117.2
61	R	31.6	Very low	32.8	Very low	233 Å²	233	172.7 Å²	172.7	88%	0.879	76%	0.758	S	S	*	*			trans	62.3	149.9	134.5	-68.1	172.2	177.4	162.8	-4.1	121.8
62	S	34.1	Very low	32.8	Very low	95 Å²	95	174.8 Å²	174.8	66%	0.664	77%	0.766	S	S	*	*			cis	-175.7	147.9	-17.6	53.5	0	0	0	0	115.5
63	R	34.8	Very low	32.7	Very low	227 Å²	227	176 Å²	176	86%	0.857	78%	0.775	S	S	*	*			trans	69.7	154.7	149.1	-76.7	-177.3	177.7	168.1	-1.2	119.2
64	D	35.2	Very low	32.7	Very low	96 Å²	96	176 Å²	176	51%	0.513	78%	0.775	S	S	.	*			cis	-161.1	149.7	-10	-126.9	-41.2	0	0	0	112.1
65	R	34.5	Very low	32.6	Very low	199 Å²	199	178.9 Å²	178.9	75%	0.751	78%	0.776	S	S	*	*			trans	59	158.8	149.1	-68.1	151.4	-161.5	-146.4	-6.1	119.8
66	K	31.6	Very low	32.5	Very low	173 Å²	173	180.3 Å²	180.3	75%	0.752	78%	0.781	S	S	*	*			cis	-159.4	152.1	-2.1	-125.2	171.6	-176.4	-179.8	0	111.1
67	R	33.6	Very low	32.3	Very low	217 Å²	217	182.4 Å²	182.4	82%	0.819	79%	0.793	S	S	*	*			trans	11.7	151.8	139.1	-67.7	-177.2	174.9	-172.8	-0.6	120.5
68	L	32.6	Very low	32.1	Very low	127 Å²	127	185.7 Å²	185.7	67%	0.665	80%	0.8	S	S	*	*			cis	-168.8	170.5	10.3	-117.8	168.9	0	0	0	113.1
69	R	33	Very low	32	Very low	222 Å²	222	179.8 Å²	179.8	84%	0.838	79%	0.794	S	S	*	*			trans	-14.6	149.9	162	-66.9	168.4	-176.1	167.4	-2.7	117.8
70	R	28.7	Very low	31.8	Very low	246 Å²	246	180 Å²	180	93%	0.928	80%	0.795	S	S	*	*				-170.3	171.9	68.5	-145.7	169.5	-173.6	162.4	-1	114.1
71	S	33.3	Very low	31.7	Very low	101 Å²	101	183.6 Å²	183.6	71%	0.706	80%	0.801	S	S	*	*			trans	-91.7	152.8	-175.5	54.6	0	0	0	0	116
72	R	29.1	Very low	31.5	Very low	254 Å²	254	184.5 Å²	184.5	96%	0.958	81%	0.805	S	S	*	*			trans	-167.5	160.1	138.4	-113.8	167.6	-176.1	169.3	0.2	114.1
73	S	31.1	Very low	31.4	Very low	107 Å²	107	190.8 Å²	190.8	75%	0.748	81%	0.814	S	S	*	*			trans	-108.7	160.7	179.2	50.7	0	0	0	0	112.3
74	R	30.7	Very low	31.1	Very low	239 Å²	239	191.6 Å²	191.6	90%	0.902	82%	0.817	S	S	*	*			trans	-175.7	151.8	141.1	-108.3	165.9	-178.8	172.2	-0.7	113
75	E	30.1	Very low	30.9	Very low	170 Å²	170	191.4 Å²	191.4	79%	0.794	82%	0.823	S	S	*	*			trans	-83.4	162.7	170.8	-42.3	103.6	132.7	0	0	112.3
76	R	29	Very low	30.6	Very low	245 Å²	245	193.4 Å²	193.4	93%	0.925	83%	0.831	S	S	*	*				-173.1	145.3	121.8	-107.9	176	178.4	-177.3	-1	113.5
77	D	31.8	Very low	30.5	Very low	144 Å²	144	189.7 Å²	189.7	77%	0.77	83%	0.826	S	S	*	*			trans	-67.8	158.5	170	-46.9	-93.6	0	0	0	112.9
78	R	28.6	Very low	30.3	Very low	246 Å²	246	190.6 Å²	190.6	93%	0.928	83%	0.83	S	S	*	*				-165.9	130.6	118.1	-105	158.2	-175	-169.7	-0.7	114.1
79	S	31.2	Very low	30.2	Very low	103 Å²	103	190 Å²	190	72%	0.72	83%	0.827	S	S	*	*			trans	-54.4	147.8	165.4	55	0	0	0	0	114.6
80	R	29.8	Very low	29.9	Very low	244 Å²	244	188.2 Å²	188.2	92%	0.921	82%	0.82	S	S	*	*				-170.5	154.3	115.9	-107.5	170.8	176.8	167.5	-0.7	113.2
81	E	30.8	Very low	29.9	Very low	168 Å²	168	186.3 Å²	186.3	79%	0.785	81%	0.813	S	S	*	*			trans	-76.5	162.1	176.6	-51	161.7	90.7	0	0	112.6
82	R	29.1	Very low	29.7	Very low	252 Å²	252	192.5 Å²	192.5	95%	0.951	82%	0.821	S	S	*	*				-163.3	141.2	124.5	-108.4	162.5	-175.3	-171.3	-0.3	112.5
83	R	31.4	Very low	29.7	Very low	227 Å²	227	184.9 Å²	184.9	86%	0.857	81%	0.806	S	S	*	*			trans	-90.9	143.1	173.8	-61.6	175.4	178.1	177.4	-2.6	110.9
84	R	28.8	Very low	29.6	Very low	244 Å²	244	190.7 Å²	190.7	92%	0.921	81%	0.812	S	S	*	*			trans	157.1	135	148.9	-89.5	159.4	-177.2	-175.1	1.2	107.9
85	S	30.5	Very low	29.6	Very low	92 Å²	92	185.2 Å²	185.2	64%	0.643	81%	0.81	S	S	*	*			cis	133.8	128	-6.8	58.6	0	0	0	0	108.2
86	R	27.2	Very low	29.6	Very low	241 Å²	241	187.9 Å²	187.9	91%	0.909	81%	0.813	S	S	*	*			trans	69.6	152	175.1	-58.5	176	176.8	163.1	-2.2	115.7
87	S	30.7	Very low	29.7	Very low	94 Å²	94	181.5 Å²	181.5	66%	0.657	81%	0.806	S	S	*	*			cis	-177.5	153.3	-24.3	54.6	0	0	0	0	110.7
88	R	28.4	Very low	29.7	Very low	237 Å²	237	186.5 Å²	186.5	89%	0.894	81%	0.814	S	S	*	*			trans	65.5	155.6	159.8	-75.2	-179.2	173.6	170.2	-2.3	116.9
89	D	30.4	Very low	29.7	Very low	114 Å²	114	178 Å²	178	61%	0.61	80%	0.803	S	S	*	*			cis	-164.5	168.3	-29.8	-158.8	-1.4	0	0	0	110.4
90	R	27.9	Very low	29.7	Very low	184 Å²	184	185.1 Å²	185.1	69%	0.694	81%	0.814	S	S	*	*			trans	65.7	104.8	152.5	-74.2	156.3	-157.8	-140.1	-2.4	123.4
91	R	29.2	Very low	29.8	Very low	206 Å²	206	185.5 Å²	185.5	78%	0.777	82%	0.815	S	S	*	*				81.3	144.3	112.5	-73.1	178.2	177.1	-173.5	-3.6	122.9
92	R	27.2	Very low	29.9	Very low	232 Å²	232	182 Å²	182	88%	0.875	81%	0.81	S	S	*	*			trans	75.8	144.8	158.2	-71.8	172.4	176.9	174.1	-1.6	117.3
93	S	30.5	Very low	30	Very low	93 Å²	93	182 Å²	182	65%	0.65	81%	0.81	S	S	*	*			cis	-171	150.3	-15	51.4	0	0	0	0	114.8
94	R	28.8	Very low	30.1	Very low	229 Å²	229	176.4 Å²	176.4	86%	0.864	81%	0.805	S	S	*	*			trans	60.8	130.3	148.2	-72.8	173.7	174.4	165.4	-1.9	120.9
95	S	31.1	Very low	30	Very low	124 Å²	124	169.6 Å²	169.6	87%	0.867	80%	0.795	S	S	*	*			trans	-139	170.8	138.6	65.4	0	0	0	0	109.8
96	R	28.9	Very low	30	Very low	227 Å²	227	170.8 Å²	170.8	86%	0.857	80%	0.803	S	S	*	*			trans	-145.1	143.8	-170.3	-80.9	174	160.9	167.6	-9	112.4
97	S	31.6	Very low	31.1	Very low	110 Å²	110	165.5 Å²	165.5	77%	0.769	80%	0.8	S	S	*	*			trans	169.5	162.4	144.7	41	0	0	0	0	109.7
98	R	31.4	Very low	31	Very low	250 Å²	250	164 Å²	164	94%	0.943	80%	0.8	S	S	*	*			cis	-167.3	147.1	-25.2	-97.6	167.4	178.5	167.2	-2.3	103.9
99	G	28.3	Very low	31.3	Very low	67 Å²	67	159.4 Å²	159.4	69%	0.691	79%	0.793	S	S	*	*			cis	155.8	172.4	-5.3	0	0	0	0	0	110.9
100	R	32.2	Very low	31.4	Very low	253 Å²	253	162.4 Å²	162.4	96%	0.955	80%	0.8	S	S	*	*			trans	66.6	159.9	167.4	-60.3	176.9	169.4	-175.2	-5.4	115.7
101	R	31.2	Very low	31.8	Very low	251 Å²	251	157.9 Å²	157.9	95%	0.947	80%	0.797	S	S	*	*			cis	-81.1	-166.8	-1.3	-140.3	174.5	-172.5	174.7	1.7	111.7
102	S	33.4	Very low	31.9	Very low	96 Å²	96	157.2 Å²	157.2	67%	0.671	80%	0.8	S	S	*	*			trans	-176.6	131.5	179.2	53	0	0	0	0	113.6
103	R	31.6	Very low	32.2	Very low	251 Å²	251	154.1 Å²	154.1	95%	0.947	79%	0.793	S	S	*	*			trans	172	145	155.4	-95.1	149.2	-170.1	-170.4	0.2	110.2
104	S	32.2	Very low	32.4	Very low	110 Å²	110	157 Å²	157	77%	0.769	80%	0.799	S	S	*	*			cis	-120.8	-128	-9.8	41.5	0	0	0	0	110.7
105	S	27.8	Very low	32.5	Very low	100 Å²	100	151.8 Å²	151.8	70%	0.699	79%	0.785	S	S	*	*			cis	-147.3	160.6	-0.2	-64	0	0	0	0	110.1
106	S	29.8	Very low	32.6	Very low	117 Å²	117	153 Å²	153	82%	0.818	78%	0.781	S	S	*	*			trans	-165.7	-172.5	-177.3	-59.3	0	0	0	0	107.9
107	P	51.2	Low	32.7	Very low	131 Å²	131	153.4 Å²	153.4	85%	0.851	78%	0.783	S	S	*	*			cis	-148.1	178.5	11.5	44.6	-24.2	0	0	0	119.6
108	G	27.9	Very low	33.2	Very low	63 Å²	63	153.2 Å²	153.2	65%	0.649	78%	0.782	S	S	*	*			trans	150.8	137.6	161.9	0	0	0	0	0	112.1
109	N	35	Very low	33.1	Very low	139 Å²	139	153.3 Å²	153.3	74%	0.743	78%	0.782	S	S	*	*			cis	-138.7	-106.5	10.4	-98.6	-73.1	0	0	0	115.4
110	K	32.9	Very low	33.5	Very low	177 Å²	177	155.3 Å²	155.3	77%	0.77	79%	0.786	S	S	*	*			trans	-151.2	164.5	-159.2	-63.7	114.8	-176.1	173	0	112.1
111	S	34.8	Very low	33.6	Very low	89 Å²	89	151 Å²	151	62%	0.622	77%	0.774	S	S	*	*			cis	-177.2	162.3	-28	64.6	0	0	0	0	112.1
112	K	32	Very low	33.6	Very low	193 Å²	193	145 Å²	145	84%	0.839	76%	0.757	S	S	*	*			trans	81.6	137.3	163.5	-57.3	169.5	-176.3	178.3	0	118.2
113	K	33.6	Very low	33.5	Very low	167 Å²	167	148.1 Å²	148.1	73%	0.726	76%	0.758	S	S	*	*			cis	107.1	146.5	2.4	-160	-172.3	177	-159.5	0	116.5	E115	K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 WeakPolarHBondContact CG-OE1 3.28Å
114	I	35.1	Very low	33.3	Very low	152 Å²	152	141.1 Å²	141.1	78%	0.779	74%	0.743	S	S	*	*			trans	96.8	147.3	172	-55.7	177.8	0	0	0	115.8
115	E	31.2	Very low	33.2	Very low	120 Å²	120	143.6 Å²	143.6	56%	0.561	75%	0.748	S	S	*	*				-175.4	133.6	-82.1	-89.1	152.9	-121	0	0	113.5	K113	K113-E115 WeakPolarHBondContact CE-OE1 3.46Å; K113-E115 WeakPolarHBondContact CG-OE1 3.28Å
116	N	32.3	Very low	33.1	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	75%	0.749	S	S	*	*			trans	70.1	168.5	165.8	-64.6	-60.8	0	0	0	117.6
117	R	31.8	Very low	32.9	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	75%	0.752	S	S	*	*			cis	-155.9	167.5	20.2	-148.3	164.3	-167.8	172.8	2.5	115
118	S	41.6	Very low	31.9	Very low	106 Å²	106	143.6 Å²	143.6	74%	0.741	75%	0.754	S	S	*	*			trans	-73.7	163.7	-173.6	55.2	0	0	0	0	119.2
119	R	28.7	Very low	31.8	Very low	251 Å²	251	146.8 Å²	146.8	95%	0.947	77%	0.766	S	S	*	*			trans	-153.3	176	154.6	-129.7	177.1	-174.5	170.2	1.5	114.2
120	S	36.6	Very low	31.7	Very low	110 Å²	110	145 Å²	145	77%	0.769	77%	0.765	S	S	*	*			trans	-159	-177	179.4	57.3	0	0	0	0	108.6
121	K	34.8	Very low	32	Very low	163 Å²	163	146 Å²	146	71%	0.709	77%	0.769	S	S	*	*			cis	-165.2	148.8	19.8	-168.8	-153.8	-175.3	-154.1	0	110.4
122	E	30.2	Very low	32.2	Very low	125 Å²	125	150.7 Å²	150.7	58%	0.584	78%	0.781	S	S	*	*			trans	60.8	177.9	167.9	-87	179.4	98.2	0	0	114.7
123	K	31.7	Very low	32.3	Very low	160 Å²	160	150.9 Å²	150.9	70%	0.696	78%	0.782	S	S	*	*			cis	-159.2	166.4	-1.2	-131.9	-170.2	165.4	77.5	0	107.3
124	T	28.7	Very low	32.4	Very low	105 Å²	105	152 Å²	152	64%	0.644	79%	0.787	S	S	*	*			cis	-158.6	158.1	-7	-20.1	0	0	0	0	109.1
125	D	28.9	Very low	32.6	Very low	162 Å²	162	153.5 Å²	153.5	87%	0.866	79%	0.788	S	S	*	*			trans	63.2	160.7	147.5	-143.3	-3.2	0	0	0	121.4
126	G	26	Very low	33	Very low	69 Å²	69	154.1 Å²	154.1	71%	0.711	80%	0.795	S	S	*	*			trans	93.2	132.7	155.8	0	0	0	0	0	119.6
127	G	25.6	Very low	33.2	Very low	86 Å²	86	154.8 Å²	154.8	89%	0.887	79%	0.791	S	S	*	*			trans	113	124.2	148.5	0	0	0	0	0	118
128	E	29.8	Very low	33.5	Very low	193 Å²	193	149 Å²	149	90%	0.902	78%	0.778	S	S	*	*			trans	-84	150.1	166.1	-62.8	176.2	100.9	0	0	112
129	S	27.1	Very low	33.6	Very low	129 Å²	129	150 Å²	150	90%	0.902	78%	0.775	S	S	*	*				170.5	168.7	122.3	47.7	0	0	0	0	111.3
130	S	32.2	Very low	34.1	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	76%	0.761	S	S	*	*			trans	-114	154.4	-162.5	76.7	0	0	0	0	114.1
131	K	40	Very low	34.1	Very low	197 Å²	197	147 Å²	147	86%	0.857	76%	0.757	S	S	*	*			trans	50	96.7	158.4	-65.4	177.4	176	177.6	0	117
132	E	37.9	Very low	34.5	Very low	187 Å²	187	144.3 Å²	144.3	87%	0.874	75%	0.75	S	S	*	*				-177	105.5	111.2	-103	-179.4	-177.4	0	0	111.8
133	K	34	Very low	34.9	Very low	197 Å²	197	144.8 Å²	144.8	86%	0.857	75%	0.752	S	S	*	*			trans	172.1	86	156.2	-100.3	154.3	-175.1	168.1	0	110.4
134	K	36.1	Very low	35.3	Very low	191 Å²	191	144.8 Å²	144.8	83%	0.83	75%	0.753	S	S	*	*			trans	-146.4	59	167.6	-158.5	-171.7	177.8	-170.4	0	111.7
135	K	40.2	Very low	36.1	Very low	183 Å²	183	147.7 Å²	147.7	80%	0.796	76%	0.759	S	S	*	*	S	Bend	trans	-149.8	6.4	169.2	-136.4	-170.9	176.5	-167.3	0	116.1
136	D	38.4	Very low	36.8	Very low	134 Å²	134	146.3 Å²	146.3	72%	0.717	75%	0.745	S	S	*	*	S	Bend	trans	-117.3	22.9	-177.5	-66.3	-57.3	0	0	0	113.3
137	K	36.3	Very low	37.6	Very low	163 Å²	163	148.8 Å²	148.8	71%	0.709	74%	0.742	S	S	*	*	S	Bend	trans	-126.8	-18.8	-170.6	-141	-172.3	177.5	-169	0	116.4
138	D	39.9	Very low	38.7	Very low	115 Å²	115	147.7 Å²	147.7	62%	0.615	72%	0.724	S	S	*	*	S	Bend	trans	-87.2	-37	-175.8	-55.5	-24	0	0	0	110.2	K140 E141	D138-K140 PolarHBondContact O-N 2.84Å; D138-E141 PolarHBondContact O-N 3.34Å
139	D	42.4	Very low	39.6	Very low	126 Å²	126	140.5 Å²	140.5	67%	0.674	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-6.3	177.3	-57.2	-34.8	0	0	0	115.2
140	K	38.6	Very low	40.7	Very low	154 Å²	154	138.9 Å²	138.9	67%	0.67	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	1.5	-174.9	-106	172.1	-177.4	161.7	0	115.7	D138	D138-K140 PolarHBondContact O-N 2.84Å
141	E	37.8	Very low	41.2	Very low	146 Å²	146	141 Å²	141	68%	0.682	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-33.6	168.5	-59.3	-164.5	152.3	0	0	110.8	D138 E143 K144	D138-E141 PolarHBondContact O-N 3.34Å; E141-E143 PolarHBondContact O-N 3.17Å; E141-K144 PolarHBondContact O-N 2.84Å; E141-K144 VanDerWaalsContact O-N 3.13Å
142	D	42.9	Very low	42	Very low	105 Å²	105	136.1 Å²	136.1	56%	0.561	66%	0.664	S	S	*	*	H	α-helix	trans	-62.6	-29.8	179.5	-101.1	35	0	0	0	116.1	K146	D142-K146 WeakPolarHBondContact O-CD 3.45Å; D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 IonicContact OD2-NZ 2.7Å
143	E	38.9	Very low	42.8	Very low	135 Å²	135	132.7 Å²	132.7	63%	0.631	65%	0.647	S	S	*	*	H	α-helix	trans	-72	-31.5	174.7	-69.1	-167.4	135.3	0	0	111.9	E141 K146 D147	E141-E143 PolarHBondContact O-N 3.17Å; E143-K146 PolarHBondContact O-N 3.35Å; E143-D147 PolarHBondContact O-N 3.42Å
144	K	39.7	Very low	44.1	Very low	161 Å²	161	127.9 Å²	127.9	70%	0.7	63%	0.631	S	S	*	*	H	α-helix	trans	-78.6	-25	-172.9	-76.5	179.9	176.1	170.8	0	114.4	E141	E141-K144 PolarHBondContact O-N 2.84Å; E141-K144 VanDerWaalsContact O-N 3.13Å
145	E	44.6	Very low	45.4	Very low	165 Å²	165	124.1 Å²	124.1	77%	0.771	62%	0.615	S	S	*	*	H	α-helix	trans	-78	-29	170.9	-63.8	-152.9	140.4	0	0	112	A148 G149	E145-A148 PolarHBondContact O-N 3.2Å; E145-G149 PolarHBondContact O-N 2.98Å; E145-G149 VanDerWaalsContact O-N 3.16Å
146	K	44.2	Very low	46.5	Very low	134 Å²	134	120.9 Å²	120.9	58%	0.583	61%	0.605	S	S	*	*	H	α-helix	trans	-68.4	-45.4	177.5	-69.9	167.5	-172	153.6	0	112.3	D142 E143 A148 G149 N150	D142-K146 WeakPolarHBondContact O-CD 3.45Å; D142-K146 WeakPolarHBondContact O-CG 3.45Å; D142-K146 IonicContact OD2-NZ 2.7Å; E143-K146 PolarHBondContact O-N 3.35Å; K146-A148 VanDerWaalsContact C-N 3.29Å; K146-A148 PolarHBondContact O-N 3.14Å; K146-G149 PolarHBondContact O-N 2.97Å; K146-N150 PolarHBondContact O-N 3.2Å
147	D	42.9	Very low	47.9	Very low	120 Å²	120	119.8 Å²	119.8	64%	0.642	60%	0.596	S	S	*	*	H	α-helix	trans	-61.3	-36.9	174.4	-88.9	-12.1	0	0	0	112.6	E143 N150 F151	E143-D147 PolarHBondContact O-N 3.42Å; D147-N150 PolarHBondContact O-N 3.24Å; D147-F151 WeakPolarHBondContact O-CB 3.37Å; D147-F151 PolarHBondContact O-N 3.42Å
148	A	48.8	Very low	49.4	Very low	63 Å²	63	116 Å²	116	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-66	-40.5	177.9	0	0	0	0	0	112.4	E145 K146 F151 D152	E145-A148 PolarHBondContact O-N 3.2Å; K146-A148 VanDerWaalsContact C-N 3.29Å; K146-A148 PolarHBondContact O-N 3.14Å; A148-F151 PolarHBondContact O-N 2.87Å; A148-D152 PolarHBondContact O-N 3.27Å
149	G	47.9	Very low	50.8	Low	43 Å²	43	116.4 Å²	116.4	44%	0.443	58%	0.579	S	S	.	*	H	α-helix	trans	-64.3	-47.9	174.4	0	0	0	0	0	112.6	E145 K146 F151 D152 Q153	E145-G149 PolarHBondContact O-N 2.98Å; E145-G149 VanDerWaalsContact O-N 3.16Å; K146-G149 PolarHBondContact O-N 2.97Å; G149-F151 VanDerWaalsContact C-N 3.25Å; G149-F151 PolarHBondContact O-N 3.3Å; G149-D152 PolarHBondContact O-N 3Å; G149-Q153 WeakPolarHBondContact O-CB 3.35Å; G149-Q153 PolarHBondContact O-N 3.27Å; G149-Q153 VanDerWaalsContact O-N 3.07Å
150	N	50.3	Low	51.6	Low	95 Å²	95	115.7 Å²	115.7	51%	0.508	57%	0.573	S	S	.	*	H	α-helix	trans	-59.7	-34.3	177	-101.6	-10.3	0	0	0	112.7	K146 D147 N154	K146-N150 PolarHBondContact O-N 3.2Å; D147-N150 PolarHBondContact O-N 3.24Å; N150-N154 WeakPolarHBondContact O-CB 3.37Å; N150-N154 PolarHBondContact O-N 3.5Å; N150-N154 PolarHBondContact O-ND2 3.47Å
151	F	44	Very low	53	Low	148 Å²	148	114.8 Å²	114.8	65%	0.649	57%	0.565	S	S	*	*	H	α-helix	trans	-67.9	-47.3	-179	-172.1	-96.9	0	0	0	113.1	D147 A148 G149 K155	D147-F151 WeakPolarHBondContact O-CB 3.37Å; D147-F151 PolarHBondContact O-N 3.42Å; A148-F151 PolarHBondContact O-N 2.87Å; G149-F151 VanDerWaalsContact C-N 3.25Å; G149-F151 PolarHBondContact O-N 3.3Å; F151-K155 VanDerWaalsContact O-CB 3.28Å; F151-K155 WeakPolarHBondContact O-CB 3.42Å; F151-K155 PolarHBondContact O-N 3.2Å
152	D	57.2	Low	54.8	Low	94 Å²	94	111.7 Å²	111.7	50%	0.503	55%	0.55	S	S	.	.	H	α-helix	trans	-73.7	-28.4	177	-97.9	-22.7	0	0	0	112.2	A148 G149 K155 L156	A148-D152 PolarHBondContact O-N 3.27Å; G149-D152 PolarHBondContact O-N 3Å; D152-K155 IonicContact OD1-NZ 3.75Å; D152-K155 PolarHBondContact OD1-NZ 3.46Å; D152-L156 PolarHBondContact O-N 3.46Å
153	Q	54.3	Low	56	Low	114 Å²	114	114.7 Å²	114.7	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-69.1	-49.6	174	-175.1	168	-22.7	0	0	112.5	G149 K155 L156 E157	G149-Q153 WeakPolarHBondContact O-CB 3.35Å; G149-Q153 PolarHBondContact O-N 3.27Å; G149-Q153 VanDerWaalsContact O-N 3.07Å; Q153-K155 PolarHBondContact O-N 3.28Å; Q153-L156 WeakPolarHBondContact O-CB 3.37Å; Q153-L156 PolarHBondContact O-N 3.26Å; Q153-E157 PolarHBondContact NE2-OE1 3.07Å; Q153-E157 PolarHBondContact O-N 2.91Å
154	N	60.3	Low	57.2	Low	97 Å²	97	115.4 Å²	115.4	52%	0.519	55%	0.554	S	S	.	*	H	α-helix	trans	-56.8	-36.3	174.7	-83.9	-71	0	0	0	111.9	N150 E157 E158	N150-N154 WeakPolarHBondContact O-CB 3.37Å; N150-N154 PolarHBondContact O-N 3.5Å; N150-N154 PolarHBondContact O-ND2 3.47Å; N154-E157 PolarHBondContact O-N 3Å; N154-E158 WeakPolarHBondContact O-CB 3.45Å; N154-E158 PolarHBondContact O-N 3.37Å
155	K	63.1	Low	58.7	Low	112 Å²	112	111.7 Å²	111.7	49%	0.487	54%	0.539	S	S	.	.	H	α-helix	trans	-70.6	-35	177.2	177.8	173.7	146.1	-141	0	112.9	F151 D152 Q153 E159	F151-K155 VanDerWaalsContact O-CB 3.28Å; F151-K155 WeakPolarHBondContact O-CB 3.42Å; F151-K155 PolarHBondContact O-N 3.2Å; D152-K155 IonicContact OD1-NZ 3.75Å; D152-K155 PolarHBondContact OD1-NZ 3.46Å; Q153-K155 PolarHBondContact O-N 3.28Å; K155-E159 WeakPolarHBondContact O-CB 3.34Å; K155-E159 PolarHBondContact O-N 2.91Å
156	L	63.7	Low	60.3	Low	114 Å²	114	111 Å²	111	60%	0.597	53%	0.529	S	S	*	.	H	α-helix	trans	-66.4	-42	171.3	-157.9	86.5	0	0	0	111.2	D152 Q153 E159 M160	D152-L156 PolarHBondContact O-N 3.46Å; Q153-L156 WeakPolarHBondContact O-CB 3.37Å; Q153-L156 PolarHBondContact O-N 3.26Å; L156-E159 PolarHBondContact O-N 3.39Å; L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 VanDerWaalsContact O-CG 3.29Å; L156-M160 WeakPolarHBondContact O-CG 3.23Å; L156-M160 PolarHBondContact O-N 3.07Å
157	E	67.2	Low	61.3	Low	111 Å²	111	107.9 Å²	107.9	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-66.3	-39	175.6	-71.2	-179	-156.4	0	0	112	Q153 N154 M160 R161	Q153-E157 PolarHBondContact NE2-OE1 3.07Å; Q153-E157 PolarHBondContact O-N 2.91Å; N154-E157 PolarHBondContact O-N 3Å; E157-M160 PolarHBondContact O-N 3.39Å; E157-R161 WeakPolarHBondContact O-CB 3.3Å; E157-R161 PolarHBondContact O-N 3.29Å
158	E	68	Low	62.3	Low	84 Å²	84	108.1 Å²	108.1	39%	0.393	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-37.8	174.3	-154	-153.6	-174.4	0	0	112	N154 R161 K162	N154-E158 WeakPolarHBondContact O-CB 3.45Å; N154-E158 PolarHBondContact O-N 3.37Å; E158-R161 PolarHBondContact O-N 2.93Å; E158-K162 VanDerWaalsContact CD-CE 3.45Å; E158-K162 HydrophobicContact CG-CD 4.45Å; E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 2.94Å; E158-K162 PolarHBondContact O-N 2.95Å; E158-K162 WeakPolarHBondContact OE1-CE 3.23Å; E158-K162 IonicContact OE1-NZ 3.35Å; E158-K162 PolarHBondContact OE1-NZ 2.97Å; E158-K162 IonicContact OE2-NZ 3.6Å; E158-K162 PolarHBondContact OE2-NZ 2.73Å
159	E	69.6	Low	63.6	Low	123 Å²	123	111.9 Å²	111.9	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-67	-38.2	172.5	-176.6	165	-158.1	0	0	111.9	K155 L156 K162 R163	K155-E159 WeakPolarHBondContact O-CB 3.34Å; K155-E159 PolarHBondContact O-N 2.91Å; L156-E159 PolarHBondContact O-N 3.39Å; E159-K162 CarbonylContact O-C 3.59Å; E159-K162 PolarHBondContact O-N 3.09Å; E159-R163 WeakPolarHBondContact O-CB 3.44Å; E159-R163 PolarHBondContact O-N 2.92Å
160	M	60.3	Low	65.1	Low	111 Å²	111	116.8 Å²	116.8	55%	0.547	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-37.8	172.9	-75.9	-72.2	-82.2	0	0	112.2	L156 E157 R163 K164	L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 VanDerWaalsContact O-CG 3.29Å; L156-M160 WeakPolarHBondContact O-CG 3.23Å; L156-M160 PolarHBondContact O-N 3.07Å; E157-M160 PolarHBondContact O-N 3.39Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.29Å; M160-K164 PolarHBondContact O-N 2.89Å
161	R	68.1	Low	65.3	Low	136 Å²	136	120.1 Å²	120.1	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-65.9	-48.3	173.2	-156.2	-172.5	78.3	-141	-2.1	110.9	E157 E158 R163 K164 E165	E157-R161 WeakPolarHBondContact O-CB 3.3Å; E157-R161 PolarHBondContact O-N 3.29Å; E158-R161 PolarHBondContact O-N 2.93Å; R161-R163 PolarHBondContact O-N 3.22Å; R161-K164 WeakPolarHBondContact O-CA 3.48Å; R161-K164 WeakPolarHBondContact O-CB 3.46Å; R161-K164 PolarHBondContact O-N 3.5Å; R161-E165 IonicContact CZ-OE1 2.59Å; R161-E165 IonicContact NE-OE1 2.77Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NH2-OE1 2.73Å; R161-E165 PolarHBondContact NH2-OE1 3.05Å; R161-E165 WeakPolarHBondContact O-CG 3.35Å; R161-E165 PolarHBondContact O-N 3.12Å
162	K	75.8	Confident	66.5	Low	81 Å²	81	119.1 Å²	119.1	35%	0.352	53%	0.531	S	S	.	.	H	α-helix	trans	-60.8	-24.8	172.4	-71.1	166.2	-176.1	169.7	0	112.6	E158 E159 R166	E158-K162 VanDerWaalsContact CD-CE 3.45Å; E158-K162 HydrophobicContact CG-CD 4.45Å; E158-K162 WeakPolarHBondContact O-CB 3.45Å; E158-K162 VanDerWaalsContact O-CG 3.28Å; E158-K162 WeakPolarHBondContact O-CG 2.94Å; E158-K162 PolarHBondContact O-N 2.95Å; E158-K162 WeakPolarHBondContact OE1-CE 3.23Å; E158-K162 IonicContact OE1-NZ 3.35Å; E158-K162 PolarHBondContact OE1-NZ 2.97Å; E158-K162 IonicContact OE2-NZ 3.6Å; E158-K162 PolarHBondContact OE2-NZ 2.73Å; E159-K162 CarbonylContact O-C 3.59Å; E159-K162 PolarHBondContact O-N 3.09Å; K162-R166 WeakPolarHBondContact O-CB 3.39Å; K162-R166 VanDerWaalsContact O-CG 3.3Å; K162-R166 WeakPolarHBondContact O-CG 3.3Å; K162-R166 PolarHBondContact O-N 3.08Å; K162-R166 PolarHBondContact O-NE 2.68Å
163	R	66.6	Low	67.1	Low	167 Å²	167	119.6 Å²	119.6	63%	0.63	53%	0.531	S	S	*	.	H	α-helix	trans	-76	-41.9	171.5	-169.6	176.8	-179	117.7	2	111.6	E159 M160 R161 R166 V167	E159-R163 WeakPolarHBondContact O-CB 3.44Å; E159-R163 PolarHBondContact O-N 2.92Å; M160-R163 WeakPolarHBondContact O-CB 3.47Å; M160-R163 PolarHBondContact O-N 3.29Å; R161-R163 PolarHBondContact O-N 3.22Å; R163-R166 PolarHBondContact O-N 2.76Å; R163-V167 WeakPolarHBondContact O-CG2 3.2Å; R163-V167 PolarHBondContact O-N 2.9Å
164	K	64	Low	67.4	Low	151 Å²	151	117.9 Å²	117.9	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-60.5	-53.1	171.4	-72.9	-176.9	177.2	-176.5	0	111.3	M160 R161 R166 V167 E168	M160-K164 PolarHBondContact O-N 2.89Å; R161-K164 WeakPolarHBondContact O-CA 3.48Å; R161-K164 WeakPolarHBondContact O-CB 3.46Å; R161-K164 PolarHBondContact O-N 3.5Å; K164-R166 VanDerWaalsContact C-N 3.25Å; K164-R166 PolarHBondContact O-N 2.74Å; K164-V167 PolarHBondContact O-N 3.2Å; K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.62Å
165	E	72.4	Confident	67.7	Low	82 Å²	82	122.4 Å²	122.4	38%	0.383	53%	0.532	S	S	.	.	H	α-helix	trans	-52.5	-40.5	176.9	-69.1	163	-170.6	0	0	112.1	R161 K169	R161-E165 IonicContact CZ-OE1 2.59Å; R161-E165 IonicContact NE-OE1 2.77Å; R161-E165 PolarHBondContact NE-OE1 3.14Å; R161-E165 IonicContact NH2-OE1 2.73Å; R161-E165 PolarHBondContact NH2-OE1 3.05Å; R161-E165 WeakPolarHBondContact O-CG 3.35Å; R161-E165 PolarHBondContact O-N 3.12Å; E165-K169 VanDerWaalsContact O-CB 3.23Å; E165-K169 WeakPolarHBondContact O-CB 3.28Å; E165-K169 PolarHBondContact O-N 3.28Å
166	R	77.1	Confident	68.2	Low	150 Å²	150	123 Å²	123	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-69.8	-38.7	175.1	-80.1	176.6	-69.4	-177.7	-0.6	113.8	K162 R163 K164 W170	K162-R166 WeakPolarHBondContact O-CB 3.39Å; K162-R166 VanDerWaalsContact O-CG 3.3Å; K162-R166 WeakPolarHBondContact O-CG 3.3Å; K162-R166 PolarHBondContact O-N 3.08Å; K162-R166 PolarHBondContact O-NE 2.68Å; R163-R166 PolarHBondContact O-N 2.76Å; K164-R166 VanDerWaalsContact C-N 3.25Å; K164-R166 PolarHBondContact O-N 2.74Å; R166-W170 WeakPolarHBondContact O-CB 3.31Å; R166-W170 PolarHBondContact O-N 3.01Å
167	V	65.6	Low	68.6	Low	69 Å²	69	123 Å²	123	42%	0.418	53%	0.53	S	S	.	.	H	α-helix	trans	-71.7	-36.4	177.2	169.7	0	0	0	0	111.3	R163 K164 R171	R163-V167 WeakPolarHBondContact O-CG2 3.2Å; R163-V167 PolarHBondContact O-N 2.9Å; K164-V167 PolarHBondContact O-N 3.2Å; V167-R171 WeakPolarHBondContact O-CB 3.45Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.35Å; V167-R171 PolarHBondContact O-N 3.02Å
168	E	65.1	Low	68.3	Low	125 Å²	125	120 Å²	120	58%	0.584	53%	0.525	S	S	*	.	H	α-helix	trans	-68.5	-51	176.7	-168.9	150.2	-122.4	0	0	110.8	K164 W170 R171 E172	K164-E168 WeakPolarHBondContact O-CB 3.39Å; K164-E168 PolarHBondContact O-N 2.62Å; E168-W170 VanDerWaalsContact C-N 3.28Å; E168-W170 PolarHBondContact O-N 3.43Å; E168-R171 CarbonylContact O-C 3.54Å; E168-R171 WeakPolarHBondContact O-CA 3.39Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3.11Å; E168-E172 PolarHBondContact O-N 3Å
169	K	74.3	Confident	67.9	Low	143 Å²	143	123 Å²	123	62%	0.622	54%	0.541	S	S	*	.	H	α-helix	trans	-60.2	-36	173.3	-173.9	166.7	-176.4	169	0	112.8	E165 E172 E173	E165-K169 VanDerWaalsContact O-CB 3.23Å; E165-K169 WeakPolarHBondContact O-CB 3.28Å; E165-K169 PolarHBondContact O-N 3.28Å; K169-E172 PolarHBondContact O-N 3.48Å; K169-E173 VanDerWaalsContact O-CB 3.28Å; K169-E173 WeakPolarHBondContact O-CB 3.36Å; K169-E173 PolarHBondContact O-N 2.91Å
170	W	79.3	Confident	67.5	Low	145 Å²	145	121.1 Å²	121.1	55%	0.549	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-38.5	172.9	-179.8	77.7	0	0	0	112.1	R166 E168 E173 Q174	R166-W170 WeakPolarHBondContact O-CB 3.31Å; R166-W170 PolarHBondContact O-N 3.01Å; E168-W170 VanDerWaalsContact C-N 3.28Å; E168-W170 PolarHBondContact O-N 3.43Å; W170-E173 PolarHBondContact O-N 3.15Å; W170-Q174 HydrophobicContact CD2-CG 4.07Å; W170-Q174 HydrophobicContact CE3-CG 4.26Å; W170-Q174 HydrophobicContact CH2-CG 3.92Å; W170-Q174 HydrophobicContact CZ2-CG 3.7Å; W170-Q174 HydrophobicContact CZ3-CG 4.2Å; W170-Q174 WeakPolarHBondContact O-CG 3.45Å; W170-Q174 PolarHBondContact O-N 3.19Å
171	R	55	Low	67.7	Low	166 Å²	166	120.4 Å²	120.4	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-66.7	-37.6	173.1	-77.4	171	169	-171.5	-5.4	112.6	V167 E168 Q174 R175	V167-R171 WeakPolarHBondContact O-CB 3.45Å; V167-R171 VanDerWaalsContact O-CG 3.31Å; V167-R171 WeakPolarHBondContact O-CG 3.35Å; V167-R171 PolarHBondContact O-N 3.02Å; E168-R171 CarbonylContact O-C 3.54Å; E168-R171 WeakPolarHBondContact O-CA 3.39Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3.11Å; R171-Q174 PolarHBondContact O-N 2.93Å; R171-R175 WeakPolarHBondContact O-CB 3.42Å; R171-R175 WeakPolarHBondContact O-CG 3.48Å; R171-R175 PolarHBondContact O-N 2.7Å
172	E	68.8	Low	67.6	Low	126 Å²	126	118.5 Å²	118.5	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-42	171	-69.1	-178.6	143.6	0	0	111.3	E168 K169 R175 K176	E168-E172 PolarHBondContact O-N 3Å; K169-E172 PolarHBondContact O-N 3.48Å; E172-R175 PolarHBondContact O-N 2.89Å; E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 PolarHBondContact O-N 2.86Å
173	E	70	Confident	66.9	Low	104 Å²	104	116.4 Å²	116.4	49%	0.486	53%	0.531	S	S	.	.	H	α-helix	trans	-66.1	-36.7	176.5	-168.8	171.8	-116.7	0	0	112.1	K169 W170 K177	K169-E173 VanDerWaalsContact O-CB 3.28Å; K169-E173 WeakPolarHBondContact O-CB 3.36Å; K169-E173 PolarHBondContact O-N 2.91Å; W170-E173 PolarHBondContact O-N 3.15Å; E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 WeakPolarHBondContact O-CG 3.4Å; E173-K177 PolarHBondContact O-N 2.79Å
174	Q	61.8	Low	66.5	Low	78 Å²	78	114.4 Å²	114.4	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-68	-41.5	169.9	-64.7	-37.5	-86.7	0	0	112	W170 R171 K176 K177 A178	W170-Q174 HydrophobicContact CD2-CG 4.07Å; W170-Q174 HydrophobicContact CE3-CG 4.26Å; W170-Q174 HydrophobicContact CH2-CG 3.92Å; W170-Q174 HydrophobicContact CZ2-CG 3.7Å; W170-Q174 HydrophobicContact CZ3-CG 4.2Å; W170-Q174 WeakPolarHBondContact O-CG 3.45Å; W170-Q174 PolarHBondContact O-N 3.19Å; R171-Q174 PolarHBondContact O-N 2.93Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.21Å; Q174-K177 PolarHBondContact O-N 2.77Å; Q174-A178 WeakPolarHBondContact O-CB 3.38Å; Q174-A178 PolarHBondContact O-N 2.84Å
175	R	66.9	Low	66.1	Low	192 Å²	192	111.9 Å²	111.9	73%	0.725	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-37.5	175.6	-80.7	178.7	169.8	-175.2	-4.3	112.6	R171 E172 A178 M179	R171-R175 WeakPolarHBondContact O-CB 3.42Å; R171-R175 WeakPolarHBondContact O-CG 3.48Å; R171-R175 PolarHBondContact O-N 2.7Å; E172-R175 PolarHBondContact O-N 2.89Å; R175-A178 PolarHBondContact O-N 2.85Å; R175-M179 PolarHBondContact O-N 2.86Å
176	K	72.8	Confident	65.4	Low	126 Å²	126	114.4 Å²	114.4	55%	0.548	53%	0.531	S	S	.	.	H	α-helix	trans	-66	-45.2	175.6	-169.5	170.1	-174.7	-72.8	0	110.4	E172 Q174 A178 M179 E180	E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 PolarHBondContact O-N 2.86Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.21Å; K176-A178 VanDerWaalsContact C-N 3.35Å; K176-A178 PolarHBondContact O-N 2.96Å; K176-M179 CarbonylContact O-C 3.56Å; K176-M179 PolarHBondContact O-N 3.36Å; K176-M179 VanDerWaalsContact O-N 3.17Å; K176-E180 IonicContact NZ-OE1 2.72Å; K176-E180 PolarHBondContact NZ-OE1 2.9Å; K176-E180 WeakPolarHBondContact O-CB 3.39Å; K176-E180 VanDerWaalsContact O-CG 3.3Å; K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 3.02Å
177	K	71.3	Confident	64.4	Low	112 Å²	112	113.9 Å²	113.9	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-61.2	-39.5	172.2	-74	-177.8	175.2	-165.3	0	113.1	E173 Q174 M179 E180 N181	E173-K177 WeakPolarHBondContact O-CB 3.31Å; E173-K177 WeakPolarHBondContact O-CG 3.4Å; E173-K177 PolarHBondContact O-N 2.79Å; Q174-K177 PolarHBondContact O-N 2.77Å; K177-M179 PolarHBondContact O-N 3.22Å; K177-E180 PolarHBondContact O-N 3.43Å; K177-N181 WeakPolarHBondContact O-CB 3.39Å; K177-N181 PolarHBondContact O-N 3.01Å; K177-N181 PolarHBondContact O-OD1 2.91Å; K177-N181 VanDerWaalsContact O-OD1 3.05Å
178	A	61.2	Low	64	Low	50 Å²	50	116 Å²	116	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-41.5	173.6	0	0	0	0	0	111.9	Q174 R175 K176 I182	Q174-A178 WeakPolarHBondContact O-CB 3.38Å; Q174-A178 PolarHBondContact O-N 2.84Å; R175-A178 PolarHBondContact O-N 2.85Å; K176-A178 VanDerWaalsContact C-N 3.35Å; K176-A178 PolarHBondContact O-N 2.96Å; A178-I182 WeakPolarHBondContact O-CB 3.42Å; A178-I182 WeakPolarHBondContact O-CD1 3.49Å; A178-I182 WeakPolarHBondContact O-CG1 3.38Å; A178-I182 PolarHBondContact O-N 3.46Å
179	M	59.6	Low	63.6	Low	147 Å²	147	114.3 Å²	114.3	72%	0.724	53%	0.533	S	S	*	.	H	α-helix	trans	-67.4	-35	173.2	-74.7	-171	175.2	0	0	113.2	R175 K176 K177 I182 G183	R175-M179 PolarHBondContact O-N 2.86Å; K176-M179 CarbonylContact O-C 3.56Å; K176-M179 PolarHBondContact O-N 3.36Å; K176-M179 VanDerWaalsContact O-N 3.17Å; K177-M179 PolarHBondContact O-N 3.22Å; M179-I182 PolarHBondContact O-N 3.11Å; M179-G183 PolarHBondContact O-N 3.1Å
180	E	62.7	Low	62.3	Low	83 Å²	83	113.7 Å²	113.7	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-49.5	175.8	-73.4	164.6	159.2	0	0	110.5	K176 K177 I182 G183 E184	K176-E180 IonicContact NZ-OE1 2.72Å; K176-E180 PolarHBondContact NZ-OE1 2.9Å; K176-E180 WeakPolarHBondContact O-CB 3.39Å; K176-E180 VanDerWaalsContact O-CG 3.3Å; K176-E180 WeakPolarHBondContact O-CG 3.4Å; K176-E180 PolarHBondContact O-N 3.02Å; K177-E180 PolarHBondContact O-N 3.43Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.49Å; E180-G183 CarbonylContact O-C 3.5Å; E180-G183 WeakPolarHBondContact O-CA 3.48Å; E180-G183 PolarHBondContact O-N 2.84Å; E180-E184 PolarHBondContact O-N 3.46Å
181	N	64.6	Low	60.9	Low	96 Å²	96	113.5 Å²	113.5	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-57.2	-39.7	171.5	-78.7	50.7	0	0	0	112.7	K177 G183 E184 L185	K177-N181 WeakPolarHBondContact O-CB 3.39Å; K177-N181 PolarHBondContact O-N 3.01Å; K177-N181 PolarHBondContact O-OD1 2.91Å; K177-N181 VanDerWaalsContact O-OD1 3.05Å; N181-G183 VanDerWaalsContact C-N 3.28Å; N181-G183 PolarHBondContact O-N 2.89Å; N181-E184 PolarHBondContact O-N 2.74Å; N181-L185 WeakPolarHBondContact O-CB 2.98Å; N181-L185 PolarHBondContact O-N 2.91Å
182	I	64.2	Low	60.7	Low	96 Å²	96	113.4 Å²	113.4	49%	0.492	55%	0.546	S	S	.	.	H	α-helix	trans	-68.1	-29.2	174.9	-72.3	164.8	0	0	0	111.5	A178 M179 E180 K186	A178-I182 WeakPolarHBondContact O-CB 3.42Å; A178-I182 WeakPolarHBondContact O-CD1 3.49Å; A178-I182 WeakPolarHBondContact O-CG1 3.38Å; A178-I182 PolarHBondContact O-N 3.46Å; M179-I182 PolarHBondContact O-N 3.11Å; E180-I182 VanDerWaalsContact C-N 3.32Å; E180-I182 PolarHBondContact O-N 3.49Å; I182-K186 WeakPolarHBondContact O-CB 3.38Å; I182-K186 VanDerWaalsContact O-CG 3.29Å; I182-K186 WeakPolarHBondContact O-CG 3.47Å; I182-K186 PolarHBondContact O-N 2.99Å
183	G	62.8	Low	59.5	Low	37 Å²	37	115.1 Å²	115.1	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-70	-42.9	171	0	0	0	0	0	112.5	M179 E180 N181 K186 K187	M179-G183 PolarHBondContact O-N 3.1Å; E180-G183 CarbonylContact O-C 3.5Å; E180-G183 WeakPolarHBondContact O-CA 3.48Å; E180-G183 PolarHBondContact O-N 2.84Å; N181-G183 VanDerWaalsContact C-N 3.28Å; N181-G183 PolarHBondContact O-N 2.89Å; G183-K186 PolarHBondContact O-N 3.34Å; G183-K187 PolarHBondContact O-N 3.13Å; G183-K187 VanDerWaalsContact O-N 3.08Å
184	E	57.6	Low	58.1	Low	125 Å²	125	118 Å²	118	58%	0.584	57%	0.565	S	S	*	*	H	α-helix	trans	-65.6	-47.4	176.3	-69.8	178	158	0	0	111.5	E180 N181 K186 K187 E188	E180-E184 PolarHBondContact O-N 3.46Å; N181-E184 PolarHBondContact O-N 2.74Å; E184-K186 VanDerWaalsContact C-N 3.27Å; E184-K186 PolarHBondContact O-N 3.46Å; E184-K187 WeakPolarHBondContact O-CA 3.5Å; E184-K187 VanDerWaalsContact O-CB 3.29Å; E184-K187 WeakPolarHBondContact O-CB 3.27Å; E184-K187 PolarHBondContact O-N 3.25Å; E184-E188 PolarHBondContact O-N 3.5Å
185	L	55.1	Low	56.9	Low	97 Å²	97	117.6 Å²	117.6	51%	0.508	58%	0.581	S	S	.	*	H	α-helix	trans	-57.4	-39.1	173.3	-110	72.1	0	0	0	112.4	N181 K187 E188 I189	N181-L185 WeakPolarHBondContact O-CB 2.98Å; N181-L185 PolarHBondContact O-N 2.91Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.03Å; L185-E188 PolarHBondContact O-N 2.98Å; L185-I189 WeakPolarHBondContact O-CB 3.42Å; L185-I189 WeakPolarHBondContact O-CD1 3.48Å; L185-I189 WeakPolarHBondContact O-CG1 3.43Å; L185-I189 PolarHBondContact O-N 2.91Å
186	K	57.7	Low	55.3	Low	136 Å²	136	117.6 Å²	117.6	59%	0.591	59%	0.587	S	S	*	*	H	α-helix	trans	-64.7	-37.1	175.5	-82.3	178.6	177.7	-174.7	0	112.2	I182 G183 E184 I189 E190	I182-K186 WeakPolarHBondContact O-CB 3.38Å; I182-K186 VanDerWaalsContact O-CG 3.29Å; I182-K186 WeakPolarHBondContact O-CG 3.47Å; I182-K186 PolarHBondContact O-N 2.99Å; G183-K186 PolarHBondContact O-N 3.34Å; E184-K186 VanDerWaalsContact C-N 3.27Å; E184-K186 PolarHBondContact O-N 3.46Å; K186-I189 PolarHBondContact O-N 3.18Å; K186-E190 PolarHBondContact O-N 3.24Å
187	K	56.7	Low	53.5	Low	138 Å²	138	121.6 Å²	121.6	60%	0.6	60%	0.604	S	S	*	*	H	α-helix	trans	-64.3	-48.5	173.3	-110	-170.6	170.9	-160.9	0	111.8	G183 E184 L185 I189 E190 E191	G183-K187 PolarHBondContact O-N 3.13Å; G183-K187 VanDerWaalsContact O-N 3.08Å; E184-K187 WeakPolarHBondContact O-CA 3.5Å; E184-K187 VanDerWaalsContact O-CB 3.29Å; E184-K187 WeakPolarHBondContact O-CB 3.27Å; E184-K187 PolarHBondContact O-N 3.25Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.03Å; K187-I189 PolarHBondContact O-N 2.83Å; K187-E190 PolarHBondContact O-N 3.22Å; K187-E191 PolarHBondContact O-N 3.47Å
188	E	56.2	Low	51.5	Low	115 Å²	115	127.8 Å²	127.8	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-58.2	-38.6	175.3	-68.3	-175.1	127.5	0	0	111.6	E184 L185 E191 M192	E184-E188 PolarHBondContact O-N 3.5Å; L185-E188 PolarHBondContact O-N 2.98Å; E188-E191 PolarHBondContact O-N 3.49Å; E188-M192 WeakPolarHBondContact O-CB 3.48Å; E188-M192 WeakPolarHBondContact O-CG 3.44Å; E188-M192 PolarHBondContact O-N 3.43Å
189	I	58	Low	50.1	Low	89 Å²	89	130.5 Å²	130.5	46%	0.456	64%	0.64	S	S	.	*	H	α-helix	trans	-70.6	-26.9	176.8	-70.4	166.9	0	0	0	112.8	L185 K186 K187 K193	L185-I189 WeakPolarHBondContact O-CB 3.42Å; L185-I189 WeakPolarHBondContact O-CD1 3.48Å; L185-I189 WeakPolarHBondContact O-CG1 3.43Å; L185-I189 PolarHBondContact O-N 2.91Å; K186-I189 PolarHBondContact O-N 3.18Å; K187-I189 PolarHBondContact O-N 2.83Å; I189-K193 WeakPolarHBondContact O-CD 3.3Å; I189-K193 WeakPolarHBondContact O-CG 3.45Å
190	E	47.2	Very low	48.8	Very low	130 Å²	130	131.2 Å²	131.2	61%	0.607	65%	0.646	S	S	*	*	H	α-helix	trans	-80.3	-40.1	171.4	-75.3	-170.8	130.9	0	0	112.2	K186 K187 K193 Q194	K186-E190 PolarHBondContact O-N 3.24Å; K187-E190 PolarHBondContact O-N 3.22Å; E190-K193 WeakPolarHBondContact O-CB 3.47Å; E190-K193 PolarHBondContact O-N 3.19Å; E190-K193 VanDerWaalsContact O-N 3.09Å; E190-Q194 PolarHBondContact O-N 3.33Å
191	E	48.8	Very low	47.3	Very low	140 Å²	140	135.8 Å²	135.8	65%	0.654	67%	0.668	S	S	*	*	H	α-helix	trans	-64.5	-39.6	174.2	-70.4	-179.9	-176	0	0	111.4	K187 E188 K193 Q194	K187-E191 PolarHBondContact O-N 3.47Å; E188-E191 PolarHBondContact O-N 3.49Å; E191-K193 PolarHBondContact O-N 3.02Å; E191-Q194 PolarHBondContact O-N 3.43Å; E191-Q194 VanDerWaalsContact O-N 3.16Å
192	M	50.2	Low	45.7	Very low	165 Å²	165	138.1 Å²	138.1	81%	0.813	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-23.1	171.3	-80.8	-164	172.7	0	0	114.2	E188	E188-M192 WeakPolarHBondContact O-CB 3.48Å; E188-M192 WeakPolarHBondContact O-CG 3.44Å; E188-M192 PolarHBondContact O-N 3.43Å
193	K	44.5	Very low	44	Very low	161 Å²	161	140.7 Å²	140.7	70%	0.7	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-21.9	175.9	-77.7	168.8	-175.7	169.9	0	112.9	I189 E190 E191 G195	I189-K193 WeakPolarHBondContact O-CD 3.3Å; I189-K193 WeakPolarHBondContact O-CG 3.45Å; E190-K193 WeakPolarHBondContact O-CB 3.47Å; E190-K193 PolarHBondContact O-N 3.19Å; E190-K193 VanDerWaalsContact O-N 3.09Å; E191-K193 PolarHBondContact O-N 3.02Å; K193-G195 PolarHBondContact O-N 3.33Å; K193-G195 VanDerWaalsContact O-N 3.08Å
194	Q	41	Very low	42.5	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	71%	0.713	S	S	*	*	S	Bend	trans	-86.3	65.2	173.1	-61.6	-163.9	12.5	0	0	110.6	E190 E191 K196	E190-Q194 PolarHBondContact O-N 3.33Å; E191-Q194 PolarHBondContact O-N 3.43Å; E191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-K196 PolarHBondContact O-N 3.11Å; Q194-K196 VanDerWaalsContact O-N 3.12Å
195	G	36.3	Very low	41.3	Very low	69 Å²	69	146.3 Å²	146.3	71%	0.711	72%	0.72	S	S	*	*			trans	-57	111.9	-167.1	0	0	0	0	0	115	K193	K193-G195 PolarHBondContact O-N 3.33Å; K193-G195 VanDerWaalsContact O-N 3.08Å
196	K	33.2	Very low	40.2	Very low	193 Å²	193	148.4 Å²	148.4	84%	0.839	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-80.8	123.7	167.2	-86.1	-178.2	176.2	173.6	0	111.3	Q194	Q194-K196 PolarHBondContact O-N 3.11Å; Q194-K196 VanDerWaalsContact O-N 3.12Å
197	K	34.1	Very low	38.9	Very low	209 Å²	209	149.9 Å²	149.9	91%	0.909	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-73.7	119.4	176.7	-170.8	-178.2	-175.5	-175.3	0	109.9
198	W	29.3	Very low	37.6	Very low	243 Å²	243	150.9 Å²	150.9	92%	0.92	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-92	147.8	172.9	-85.8	56.1	0	0	0	111.6
199	S	31.8	Very low	36.3	Very low	107 Å²	107	152.4 Å²	152.4	75%	0.748	77%	0.765	S	S	*	*			trans	-125.9	146.3	168.2	46.3	0	0	0	0	108.7
200	L	33	Very low	35.8	Very low	162 Å²	162	153.1 Å²	153.1	85%	0.848	78%	0.775	S	S	*	*			trans	-83.9	137.5	169.4	-73.8	74.9	0	0	0	109
201	E	30.8	Very low	34.9	Very low	179 Å²	179	151.8 Å²	151.8	84%	0.836	79%	0.786	S	S	*	*			trans	-172.3	145	139.7	-103.4	153	-165.4	0	0	108.8
202	D	30.5	Very low	34	Very low	145 Å²	145	154.5 Å²	154.5	78%	0.775	80%	0.799	S	S	*	*			trans	53	132.6	165.8	-47.9	-14.1	0	0	0	118.8
203	D	30.1	Very low	32.9	Very low	150 Å²	150	151.1 Å²	151.1	80%	0.802	80%	0.797	S	S	*	*			cis	100.9	145.5	37.2	-89.1	-10.2	0	0	0	114.3
204	D	30.5	Very low	32.2	Very low	141 Å²	141	150.6 Å²	150.6	75%	0.754	80%	0.797	S	S	*	*			trans	68.8	122.5	168.6	-59.8	-16.9	0	0	0	123.6
205	D	31.5	Very low	31.6	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	79%	0.79	S	S	*	*			trans	68	130.4	132.3	-63.5	-10.9	0	0	0	127.4
206	D	32.1	Very low	31.2	Very low	140 Å²	140	154.4 Å²	154.4	75%	0.749	79%	0.794	S	S	*	*			trans	77	135.6	133.5	-75.3	-15.5	0	0	0	127.9
207	E	31.3	Very low	30.9	Very low	168 Å²	168	148.4 Å²	148.4	79%	0.785	79%	0.788	S	S	*	*			trans	48.1	134.1	147.4	-60.9	-165.9	142.9	0	0	126
208	D	29.8	Very low	30.5	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	78%	0.78	S	S	*	*			trans	77.7	144.9	141.4	-84.1	-2	0	0	0	125.6
209	D	27.5	Very low	30.5	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	77%	0.774	S	S	*	*			trans	-104	171.8	174.7	-165.4	31.7	0	0	0	107.2
210	P	49.3	Very low	30.3	Very low	104 Å²	104	144.9 Å²	144.9	68%	0.675	78%	0.779	S	S	*	*			cis	-132.6	-168.8	-8.4	42.5	-25.5	0	0	0	113.8
211	A	28.2	Very low	30.1	Very low	102 Å²	102	146.2 Å²	146.2	84%	0.843	78%	0.781	S	S	*	*				154.7	168.5	124.1	0	0	0	0	0	116.2
212	E	28.1	Very low	30	Very low	196 Å²	196	141.3 Å²	141.3	92%	0.916	78%	0.779	S	S	*	*			trans	-98.4	151.1	-168.2	-48.1	170.5	128.7	0	0	115.1
213	A	28.8	Very low	30.5	Very low	94 Å²	94	143.5 Å²	143.5	78%	0.777	78%	0.784	S	S	*	*			trans	167.1	114.6	137.3	0	0	0	0	0	110.3
214	E	28	Very low	30.6	Very low	151 Å²	151	145.9 Å²	145.9	71%	0.706	79%	0.791	S	S	*	*				64.3	105.8	80.7	-76.2	-125	138	0	0	117.4
215	K	29.8	Very low	30.9	Very low	140 Å²	140	147.3 Å²	147.3	61%	0.609	80%	0.798	S	S	*	*			trans	67.1	161.9	142.8	-60.8	174.5	-175	137.9	0	117.9
216	E	27.4	Very low	31.7	Very low	173 Å²	173	146.3 Å²	146.3	81%	0.808	79%	0.792	S	S	*	*			cis	-164.4	155.6	-19	-102.4	156.7	-161.2	0	0	105
217	G	26.6	Very low	32.5	Very low	68 Å²	68	145 Å²	145	70%	0.701	79%	0.791	S	S	*	*			cis	169.1	-155.9	2.6	0	0	0	0	0	110.2
218	N	26.9	Very low	33.2	Very low	140 Å²	140	143 Å²	143	75%	0.749	79%	0.785	S	S	*	*			trans	83.4	110.9	159	-135.1	59.7	0	0	0	122.6
219	E	28.6	Very low	34.2	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.794	78%	0.777	S	S	*	*			trans	72.7	164.8	132.8	-70	179.6	158.1	0	0	125
220	M	27.4	Very low	35.4	Very low	175 Å²	175	137.9 Å²	137.9	86%	0.862	77%	0.768	S	S	*	*			trans	-74.2	177.2	-168.6	-62.7	168.8	167.3	0	0	112.3
221	E	29.3	Very low	35.2	Very low	189 Å²	189	140.4 Å²	140.4	88%	0.883	77%	0.765	S	S	*	*			cis	-168.8	171.7	34.7	-160.1	169.1	-119.1	0	0	110.7
222	G	28.8	Very low	36.1	Very low	76 Å²	76	141 Å²	141	78%	0.784	75%	0.752	S	S	*	*			trans	129.6	127.2	161.8	0	0	0	0	0	116.6
223	E	40.8	Very low	37.2	Very low	192 Å²	192	138.6 Å²	138.6	90%	0.897	74%	0.741	S	S	*	*			trans	-105.8	148.4	171.1	-58.6	176.6	130.4	0	0	110.6
224	E	32.7	Very low	37.7	Very low	199 Å²	199	140.2 Å²	140.2	93%	0.93	73%	0.732	S	S	*	*			trans	-155.4	145.8	145.5	-126.4	170.4	-159.2	0	0	110.4
225	L	35.3	Very low	38.6	Very low	172 Å²	172	136.6 Å²	136.6	90%	0.901	72%	0.72	S	S	*	*			trans	-117.2	131.1	-174.9	-86.6	161.4	0	0	0	110.5
226	D	49.9	Very low	39.1	Very low	118 Å²	118	136.4 Å²	136.4	63%	0.631	72%	0.719	S	S	*	*			trans	-79.8	121.8	178.2	-172.6	-17.2	0	0	0	110.8	L228	D226-L228 PolarHBondContact O-N 3.26Å; D226-L228 PolarHBondContact OD1-N 3.34Å
227	P	47.9	Very low	39.8	Very low	112 Å²	112	132.6 Å²	132.6	73%	0.727	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	3.8	-177	27.5	-36	0	0	0	116
228	L	46.1	Very low	40.3	Very low	125 Å²	125	136.8 Å²	136.8	65%	0.654	70%	0.703	S	S	*	*	H	α-helix	trans	-73.2	-32.3	-179.3	-139.5	76.1	0	0	0	114.7	D226 A230 Y231	D226-L228 PolarHBondContact O-N 3.26Å; D226-L228 PolarHBondContact OD1-N 3.34Å; L228-A230 PolarHBondContact O-N 2.89Å; L228-Y231 PolarHBondContact O-N 3.22Å
229	D	50.8	Low	40.9	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	70%	0.703	S	S	*	*	H	α-helix	trans	-69.4	-31.8	-175.2	-87.7	-34	0	0	0	113.2	Y231 M232 E233	D229-Y231 PolarHBondContact O-N 3.26Å; D229-M232 PolarHBondContact O-N 3.08Å; D229-E233 PolarHBondContact O-N 3.18Å
230	A	53	Low	41.4	Very low	73 Å²	73	135.9 Å²	135.9	60%	0.603	70%	0.7	S	S	*	*	H	α-helix	trans	-58.6	-35	178.3	0	0	0	0	0	112.6	L228 M232	L228-A230 PolarHBondContact O-N 2.89Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 3.19Å
231	Y	44.1	Very low	41.8	Very low	157 Å²	157	134.7 Å²	134.7	62%	0.616	69%	0.69	S	S	*	*	H	α-helix	trans	-72.5	-25.8	178.4	-171.5	-119.9	0	0	0	112.7	L228 D229	L228-Y231 PolarHBondContact O-N 3.22Å; D229-Y231 PolarHBondContact O-N 3.26Å
232	M	47.8	Very low	41.7	Very low	113 Å²	113	134.4 Å²	134.4	56%	0.557	69%	0.686	S	S	*	*	H	α-helix	trans	-85.1	-8.4	-179.4	-77.2	-77.7	-81.7	0	0	114.1	D229 A230 K236	D229-M232 PolarHBondContact O-N 3.08Å; A230-M232 VanDerWaalsContact C-N 3.32Å; A230-M232 PolarHBondContact O-N 3.19Å; M232-K236 WeakPolarHBondContact O-CD 3.29Å; M232-K236 WeakPolarHBondContact O-CE 3.48Å; M232-K236 PolarHBondContact O-NZ 2.95Å
233	E	50.9	Low	41.7	Very low	147 Å²	147	137.3 Å²	137.3	69%	0.687	68%	0.684	S	S	*	*	H	α-helix	trans	-90.7	-38.5	166.5	-66.1	-152	113.3	0	0	112.3	D229 V235 K236 E237	D229-E233 PolarHBondContact O-N 3.18Å; E233-V235 PolarHBondContact O-N 3.27Å; E233-K236 WeakPolarHBondContact O-CB 3.48Å; E233-K236 PolarHBondContact O-N 2.7Å; E233-E237 PolarHBondContact O-N 2.96Å
234	E	40.5	Very low	41	Very low	127 Å²	127	136.6 Å²	136.6	59%	0.593	68%	0.682	S	S	*	*	H	α-helix	trans	-56.2	-47.3	179.6	-169	167.5	-144.9	0	0	111.8	K236 E237 E238	E234-K236 PolarHBondContact O-N 2.66Å; E234-E237 PolarHBondContact O-N 2.7Å; E234-E238 PolarHBondContact O-N 3.12Å
235	V	45.2	Very low	40.8	Very low	76 Å²	76	138 Å²	138	46%	0.461	68%	0.679	S	S	.	*	H	α-helix	trans	-63.5	-21.9	176.5	178.5	0	0	0	0	113.2	E233	E233-V235 PolarHBondContact O-N 3.27Å
236	K	40.4	Very low	40.3	Very low	135 Å²	135	134.4 Å²	134.4	59%	0.587	67%	0.669	S	S	*	*	H	α-helix	trans	-87	-25.8	177.7	-70.6	172.9	-171.8	142	0	113.3	M232 E233 E234	M232-K236 WeakPolarHBondContact O-CD 3.29Å; M232-K236 WeakPolarHBondContact O-CE 3.48Å; M232-K236 PolarHBondContact O-NZ 2.95Å; E233-K236 WeakPolarHBondContact O-CB 3.48Å; E233-K236 PolarHBondContact O-N 2.7Å; E234-K236 PolarHBondContact O-N 2.66Å
237	E	42	Very low	39.4	Very low	94 Å²	94	134.9 Å²	134.9	44%	0.439	68%	0.676	S	S	.	*	H	α-helix	trans	-74	-37.1	174.4	-96.1	-69.4	110.3	0	0	112.1	E233 E234 V239 K240 K241	E233-E237 PolarHBondContact O-N 2.96Å; E234-E237 PolarHBondContact O-N 2.7Å; E237-V239 PolarHBondContact O-N 2.8Å; E237-K240 WeakPolarHBondContact O-CB 3.29Å; E237-K240 PolarHBondContact O-N 2.96Å; E237-K240 VanDerWaalsContact O-N 3.11Å; E237-K241 IonicContact OE2-NZ 2.65Å; E237-K241 PolarHBondContact OE2-NZ 2.99Å
238	E	38.4	Very low	38.4	Very low	156 Å²	156	139 Å²	139	73%	0.729	68%	0.682	S	S	*	*	H	α-helix	trans	-62.5	-40.5	179.8	-69.6	-152.2	120.3	0	0	112.9	E234 K240 K241	E234-E238 PolarHBondContact O-N 3.12Å; E238-K240 PolarHBondContact O-N 3.3Å; E238-K240 VanDerWaalsContact O-N 3.1Å; E238-K241 PolarHBondContact O-N 3.17Å
239	V	39.5	Very low	37.3	Very low	125 Å²	125	137 Å²	137	76%	0.758	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-18.4	177.9	-178.7	0	0	0	0	112.2	E237	E237-V239 PolarHBondContact O-N 2.8Å
240	K	38.6	Very low	36	Very low	166 Å²	166	135.1 Å²	135.1	72%	0.722	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-7	-177.9	-120.1	173	-175.2	172.5	0	114.7	E237 E238	E237-K240 WeakPolarHBondContact O-CB 3.29Å; E237-K240 PolarHBondContact O-N 2.96Å; E237-K240 VanDerWaalsContact O-N 3.11Å; E238-K240 PolarHBondContact O-N 3.3Å; E238-K240 VanDerWaalsContact O-N 3.1Å
241	K	34.7	Very low	34.6	Very low	150 Å²	150	135.7 Å²	135.7	65%	0.652	72%	0.715	S	S	*	*	S	Bend	trans	-127.8	45.2	-174.9	-63.1	-165.9	-172.5	83.3	0	114.7	E237 E238	E237-K241 IonicContact OE2-NZ 2.65Å; E237-K241 PolarHBondContact OE2-NZ 2.99Å; E238-K241 PolarHBondContact O-N 3.17Å
242	F	28.8	Very low	33.7	Very low	182 Å²	182	131.7 Å²	131.7	80%	0.798	72%	0.721	S	S	*	*	S	Bend	trans	-129.8	125.7	164	-130.2	-97.7	0	0	0	114.7
243	N	27.2	Very low	32.6	Very low	138 Å²	138	133.1 Å²	133.1	74%	0.738	73%	0.731	S	S	*	*			trans	53.8	87.7	167.5	-70.4	-11.5	0	0	0	120.2
244	M	27.5	Very low	31.5	Very low	176 Å²	176	132 Å²	132	87%	0.867	73%	0.726	S	S	*	*			trans	-51.4	155.3	131	179.8	175.3	63.9	0	0	111.3
245	R	27.2	Very low	30.9	Very low	228 Å²	228	133.3 Å²	133.3	86%	0.86	73%	0.73	S	S	*	*			trans	99.1	86.8	157.1	-157.2	176.8	-166.3	169.7	4.4	119.7
246	S	26.5	Very low	30.1	Very low	98 Å²	98	138.5 Å²	138.5	69%	0.685	75%	0.746	S	S	*	*				67.2	124.7	120.1	-175.4	0	0	0	0	122.5
247	V	29.4	Very low	29.3	Very low	128 Å²	128	137.3 Å²	137.3	78%	0.776	76%	0.755	S	S	*	*			trans	72.1	133.9	145.4	163.6	0	0	0	0	115
248	K	26.6	Very low	28.4	Very low	198 Å²	198	135.9 Å²	135.9	86%	0.861	77%	0.766	S	S	*	*			cis	-166.5	139.8	37.8	-157.4	169.5	-176.1	-179.7	0	113
249	G	24.2	Very low	28.5	Very low	83 Å²	83	134 Å²	134	86%	0.856	77%	0.767	S	S	*	*			trans	61.4	164.8	155.9	0	0	0	0	0	119.4
250	G	23.3	Very low	27.8	Very low	87 Å²	87	133.9 Å²	133.9	90%	0.897	77%	0.767	S	S	*	*			cis	149.6	128.4	-15.3	0	0	0	0	0	115.3
251	G	24	Very low	27.2	Very low	86 Å²	86	132.4 Å²	132.4	89%	0.887	77%	0.771	S	S	*	*			trans	110.3	147	159.5	0	0	0	0	0	118.5
252	G	24.8	Very low	26.7	Very low	72 Å²	72	131.8 Å²	131.8	74%	0.742	78%	0.78	S	S	*	*			trans	94.7	120.7	172.5	0	0	0	0	0	114.1
253	N	25.4	Very low	26.6	Very low	143 Å²	143	132.7 Å²	132.7	77%	0.765	78%	0.784	S	S	*	*			cis	63.7	134.4	44.6	-74.4	30.5	0	0	0	114
254	E	27.2	Very low	26.5	Very low	124 Å²	124	131.6 Å²	131.6	58%	0.579	78%	0.782	S	S	*	*			cis	-167.4	159.6	4.3	-126.2	175.3	126.1	0	0	115.4
255	K	28.5	Very low	26.4	Very low	154 Å²	154	128.2 Å²	128.2	67%	0.67	77%	0.771	S	S	*	*			trans	67.1	140.9	142.4	-87.3	165	178	149.1	0	123.9
256	K	27.6	Very low	26.2	Very low	185 Å²	185	123.6 Å²	123.6	80%	0.804	77%	0.768	S	S	*	*			trans	72.6	151.3	146.3	-72	172.5	179	-176	0	117.8
257	S	23.6	Very low	26.1	Very low	111 Å²	111	124 Å²	124	78%	0.776	77%	0.767	S	S	*	*			cis	-161	166.7	-12.8	41.9	0	0	0	0	110.7
258	G	24.3	Very low	25.9	Very low	64 Å²	64	123.7 Å²	123.7	66%	0.66	77%	0.765	S	S	*	*			trans	-70.7	-168.6	174.3	0	0	0	0	0	114.4
259	P	38.7	Very low	25.9	Very low	117 Å²	117	119.5 Å²	119.5	76%	0.76	76%	0.756	S	S	*	*				-154.7	169.1	80.2	43.3	-25.5	0	0	0	118.6
260	T	25.4	Very low	26	Very low	122 Å²	122	120 Å²	120	75%	0.748	74%	0.743	S	S	*	*			trans	47.4	117	143.6	52.3	0	0	0	0	121.5
261	V	26.1	Very low	26.2	Very low	134 Å²	134	124.5 Å²	124.5	81%	0.812	74%	0.737	S	S	*	*				97.4	132.9	64.9	158.2	0	0	0	0	113.9
262	T	25.5	Very low	26.2	Very low	138 Å²	138	129.8 Å²	129.8	85%	0.847	74%	0.736	S	S	*	*			trans	-147.4	-170.6	-178.2	-16	0	0	0	0	112.2
263	K	25.4	Very low	26.2	Very low	200 Å²	200	130.8 Å²	130.8	87%	0.87	74%	0.737	S	S	*	*			trans	-142.4	170.7	-177.4	-60.8	179.8	179.8	173.3	0	108.9
264	V	24.5	Very low	26.2	Very low	115 Å²	115	130.2 Å²	130.2	70%	0.697	74%	0.738	S	S	*	*			cis	-152.9	134.9	9.9	91.6	0	0	0	0	108.2
265	V	25.4	Very low	26.3	Very low	106 Å²	106	130.4 Å²	130.4	64%	0.642	75%	0.747	S	S	*	*				45.3	124.7	108.2	-161.2	0	0	0	0	113.8	V267	V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.26Å
266	T	24.2	Very low	26.2	Very low	130 Å²	130	130.6 Å²	130.6	80%	0.798	76%	0.756	S	S	*	*				-175.1	155.6	77.5	-50.9	0	0	0	0	111.7
267	V	24.9	Very low	26.2	Very low	108 Å²	108	125.8 Å²	125.8	66%	0.655	75%	0.745	S	S	*	*				-165.9	141.8	-53.1	94.3	0	0	0	0	109.9	V265	V265-V267 HydrophobicContact CG1-CB 4.44Å; V265-V267 HydrophobicContact CG1-CG2 4.26Å
268	V	25.1	Very low	26.4	Very low	121 Å²	121	128.1 Å²	128.1	73%	0.733	75%	0.749	S	S	*	*			trans	64.8	135.7	153.7	166.3	0	0	0	0	120.1
269	T	26.3	Very low	26.8	Very low	110 Å²	110	134.4 Å²	134.4	68%	0.675	76%	0.758	S	S	*	*			cis	-162	-162.6	-23.4	47.6	0	0	0	0	105.8
270	T	26.2	Very low	26.3	Very low	94 Å²	94	138.2 Å²	138.2	58%	0.577	76%	0.763	S	S	*	*			cis	-150.3	-142.4	10.9	-14.3	0	0	0	0	108.8
271	K	26.4	Very low	26.5	Very low	180 Å²	180	142.6 Å²	142.6	78%	0.783	77%	0.772	S	S	*	*			cis	-140	-106.3	10.4	-137.1	114.2	-145.4	151.2	0	114.1
272	K	25.1	Very low	26.7	Very low	198 Å²	198	139.9 Å²	139.9	86%	0.861	77%	0.771	S	S	*	*			trans	-161.7	141.3	-170.9	-99.4	-168.4	175.9	-174.4	0	113.5
273	A	25.6	Very low	26.7	Very low	92 Å²	92	142.4 Å²	142.4	76%	0.76	77%	0.773	S	S	*	*			trans	61.1	159.8	144.8	0	0	0	0	0	118.4
274	V	25.4	Very low	26.8	Very low	132 Å²	132	141.1 Å²	141.1	80%	0.8	78%	0.775	S	S	*	*			cis	-130.3	152.2	14.4	172.5	0	0	0	0	110.9
275	V	29	Very low	27	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	79%	0.785	S	S	*	*			trans	-108.6	138.3	163	175.7	0	0	0	0	108.2
276	D	25.4	Very low	27.2	Very low	159 Å²	159	148 Å²	148	85%	0.85	79%	0.794	S	S	*	*			trans	-136.2	146.9	156.8	-159.9	-8	0	0	0	108.7
277	S	27.7	Very low	27.5	Very low	83 Å²	83	148.6 Å²	148.6	58%	0.58	79%	0.793	S	S	*	*			trans	-153.9	97.7	-167.4	65.4	0	0	0	0	112.7	K279	S277-K279 PolarHBondContact O-N 3.22Å
278	D	29.1	Very low	28	Very low	161 Å²	161	149.2 Å²	149.2	86%	0.861	79%	0.792	S	S	*	*			trans	-86.7	93.8	-178.5	-155.8	-3.2	0	0	0	111.4	K280	D278-K280 PolarHBondContact O-N 3.36Å
279	K	30.8	Very low	28.4	Very low	195 Å²	195	147.1 Å²	147.1	85%	0.848	78%	0.775	S	S	*	*			trans	-79.9	109.6	176.9	-75.8	-173.2	177.8	-178.3	0	111.2	S277	S277-K279 PolarHBondContact O-N 3.22Å
280	K	29.2	Very low	28.9	Very low	198 Å²	198	148 Å²	148	86%	0.861	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.9	145.6	160.4	-95.3	-179.6	176.5	173.4	0	111.8	D278	D278-K280 PolarHBondContact O-N 3.36Å
281	K	28.5	Very low	29.4	Very low	213 Å²	213	147.8 Å²	147.8	93%	0.926	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.2	146.8	173.6	-74.8	-169.2	168.6	-168.5	0	110.6
282	G	30.4	Very low	29.5	Very low	77 Å²	77	145.7 Å²	145.7	79%	0.794	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76.1	166.5	179.4	0	0	0	0	0	114.2
283	E	25.9	Very low	29.8	Very low	192 Å²	192	142.8 Å²	142.8	90%	0.897	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-104	158.3	165.3	-62.6	-178.1	133.3	0	0	108.7
284	L	27.1	Very low	30.1	Very low	173 Å²	173	145.2 Å²	145.2	91%	0.906	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66	141.6	-177	-78	75	0	0	0	111.2
285	M	29.2	Very low	30.5	Very low	184 Å²	184	144.5 Å²	144.5	91%	0.906	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75	134.4	167.4	-70.7	173	56.8	0	0	109.9
286	E	29.2	Very low	31.1	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	76%	0.758	S	S	*	*			trans	-104.9	136.1	173.3	-165.7	160.9	-135.5	0	0	108	D288	E286-D288 PolarHBondContact O-N 3.45Å
287	N	31.4	Very low	31.5	Very low	143 Å²	143	145.2 Å²	145.2	77%	0.765	76%	0.76	S	S	*	*			trans	-77.3	107.9	-166	-79.1	-29.7	0	0	0	112.8	Q289	N287-Q289 PolarHBondContact O-N 3.26Å
288	D	34.8	Very low	31.9	Very low	121 Å²	121	150.9 Å²	150.9	65%	0.647	78%	0.778	S	S	*	*			trans	-67.4	97.8	169	-86.3	-44	0	0	0	110.7	E286 D290	E286-D288 PolarHBondContact O-N 3.45Å; D288-D290 VanDerWaalsContact C-N 3.31Å; D288-D290 PolarHBondContact O-N 2.88Å
289	Q	34.7	Very low	32.1	Very low	78 Å²	78	151.1 Å²	151.1	36%	0.364	77%	0.774	S	S	.	*	G	3₁₀ helix	trans	-75.1	-18	-171.8	-158.8	158.9	-24	0	0	113.9	N287 A291 F780	N287-Q289 PolarHBondContact O-N 3.26Å; Q289-A291 VanDerWaalsContact C-N 3.27Å; Q289-A291 PolarHBondContact O-N 3.49Å; Q289-F780 VanDerWaalsContact OE1-CE2 3.24Å
290	D	35.5	Very low	32.3	Very low	129 Å²	129	151.9 Å²	151.9	69%	0.69	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-70.9	-13.3	179.4	-75.8	24	0	0	0	113.8	D288 M292	D288-D290 VanDerWaalsContact C-N 3.31Å; D288-D290 PolarHBondContact O-N 2.88Å; D290-M292 VanDerWaalsContact C-N 3.29Å; D290-M292 PolarHBondContact O-N 3.11Å
291	A	36.6	Very low	32.6	Very low	88 Å²	88	146.6 Å²	146.6	73%	0.727	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-79.4	-2.7	-171.8	0	0	0	0	0	115.3	Q289	Q289-A291 VanDerWaalsContact C-N 3.27Å; Q289-A291 PolarHBondContact O-N 3.49Å
292	M	29.5	Very low	33.2	Very low	137 Å²	137	141 Å²	141	68%	0.675	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-107.6	2.2	-170.9	-161.4	171	-77.5	0	0	114	D290 K792	D290-M292 VanDerWaalsContact C-N 3.29Å; D290-M292 PolarHBondContact O-N 3.11Å; M292-K792 HydrophobicContact SD-CD 3.79Å; M292-K792 VanDerWaalsContact SD-CE 3.54Å; M292-K792 PolarHBondContact SD-NZ 3.45Å
293	E	31	Very low	33.5	Very low	136 Å²	136	144 Å²	144	64%	0.636	74%	0.741	S	S	*	*	S	Bend	trans	-92.3	-14.6	-177.1	-165.2	165.5	-122.7	0	0	113.4	S295	E293-S295 PolarHBondContact O-N 2.85Å
294	Y	32.3	Very low	34.3	Very low	143 Å²	143	141.8 Å²	141.8	56%	0.561	73%	0.731	S	S	*	*			trans	-96.5	78.2	179.2	-83.1	-81.3	0	0	0	112.5	T483 R505	Y294-T483 PolarHBondContact OH-O 3.37Å; Y294-T483 VanDerWaalsContact OH-O 3.1Å; Y294-R505 PolarHBondContact OH-NH2 2.84Å
295	S	33.8	Very low	35.2	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	71%	0.709	S	S	*	*			trans	-163.9	46.9	165	-171	0	0	0	0	112.4	E293	E293-S295 PolarHBondContact O-N 2.85Å
296	S	40.1	Very low	36.1	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	69%	0.687	S	S	*	*			trans	-148	37.4	-180	70.8	0	0	0	0	114.7
297	E	33.9	Very low	36.4	Very low	193 Å²	193	127.8 Å²	127.8	90%	0.902	68%	0.676	S	S	*	*	S	Bend	trans	-130.2	161.2	158.1	-68.6	-169.1	142	0	0	108.1	E299	E297-E299 PolarHBondContact O-N 3.43Å
298	E	37.2	Very low	37.1	Very low	202 Å²	202	124.5 Å²	124.5	94%	0.944	66%	0.662	S	S	*	*	S	Bend	trans	-82.2	96.3	-152.5	-61.9	169.8	155.7	0	0	114.5
299	E	32.7	Very low	37.2	Very low	166 Å²	166	120.2 Å²	120.2	78%	0.776	65%	0.646	S	S	*	*			trans	-135.7	121.3	160.9	-67.9	-173.4	166.1	0	0	110.3	E297 V301	E297-E299 PolarHBondContact O-N 3.43Å; E299-V301 HydrophobicContact CB-CG2 3.9Å; E299-V301 WeakPolarHBondContact O-CG2 3.34Å; E299-V301 PolarHBondContact O-N 2.93Å
300	E	35.1	Very low	37.4	Very low	210 Å²	210	122.9 Å²	122.9	98%	0.981	65%	0.653	S	S	*	*			trans	-76.6	85.8	168.5	-74.1	-165.7	147.9	0	0	109.7
301	V	35.8	Very low	37.4	Very low	87 Å²	87	123.3 Å²	123.3	53%	0.527	65%	0.651	S	S	.	*			trans	-89.2	122.4	-177.1	-142.1	0	0	0	0	111.7	E299 T305	E299-V301 HydrophobicContact CB-CG2 3.9Å; E299-V301 WeakPolarHBondContact O-CG2 3.34Å; E299-V301 PolarHBondContact O-N 2.93Å; V301-T305 HydrophobicContact CG1-CG2 3.56Å
302	D	40	Very low	37.6	Very low	97 Å²	97	122.3 Å²	122.3	52%	0.519	64%	0.636	S	S	.	*			trans	-54.6	144.7	178.5	173.5	34.2	0	0	0	113.3	Q304 T305 A306	D302-Q304 PolarHBondContact O-N 2.94Å; D302-Q304 VanDerWaalsContact O-N 3.14Å; D302-Q304 VanDerWaalsContact OD2-CB 3.23Å; D302-Q304 WeakPolarHBondContact OD2-CB 3.37Å; D302-T305 WeakPolarHBondContact O-CA 3.32Å; D302-T305 VanDerWaalsContact O-CB 3.24Å; D302-T305 WeakPolarHBondContact O-CB 3.33Å; D302-T305 PolarHBondContact O-N 2.7Å; D302-A306 PolarHBondContact O-N 2.83Å; D302-A306 VanDerWaalsContact O-N 3.14Å
303	L	38.6	Very low	38.3	Very low	138 Å²	138	121.7 Å²	121.7	72%	0.723	63%	0.63	S	S	*	*	H	α-helix	trans	-53	-34.9	178.4	-82.5	161.5	0	0	0	112.6	T305 A306 L307	L303-T305 PolarHBondContact O-N 2.76Å; L303-A306 PolarHBondContact O-N 3.31Å; L303-L307 PolarHBondContact O-N 3.27Å
304	Q	41.1	Very low	38.5	Very low	147 Å²	147	123.8 Å²	123.8	69%	0.687	64%	0.64	S	S	*	*	H	α-helix	trans	-68.5	-25.4	177.4	-155.8	161.9	-41	0	0	112.4	D302 T308	D302-Q304 PolarHBondContact O-N 2.94Å; D302-Q304 VanDerWaalsContact O-N 3.14Å; D302-Q304 VanDerWaalsContact OD2-CB 3.23Å; D302-Q304 WeakPolarHBondContact OD2-CB 3.37Å; Q304-T308 PolarHBondContact O-N 3.15Å; Q304-T308 PolarHBondContact O-OG1 2.93Å
305	T	47.7	Very low	39.1	Very low	70 Å²	70	126.4 Å²	126.4	43%	0.429	65%	0.648	S	S	.	*	H	α-helix	trans	-79.1	-37.7	171.8	-51.2	0	0	0	0	111.5	V301 D302 L303 L307 T308 G309	V301-T305 HydrophobicContact CG1-CG2 3.56Å; D302-T305 WeakPolarHBondContact O-CA 3.32Å; D302-T305 VanDerWaalsContact O-CB 3.24Å; D302-T305 WeakPolarHBondContact O-CB 3.33Å; D302-T305 PolarHBondContact O-N 2.7Å; L303-T305 PolarHBondContact O-N 2.76Å; T305-L307 PolarHBondContact O-N 2.84Å; T305-T308 WeakPolarHBondContact CA-OG1 3.33Å; T305-T308 PolarHBondContact O-N 3.23Å; T305-T308 PolarHBondContact O-OG1 3.32Å; T305-T308 VanDerWaalsContact O-OG1 3.07Å; T305-G309 PolarHBondContact O-N 3.28Å
306	A	46.6	Very low	40	Very low	55 Å²	55	126.8 Å²	126.8	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-61.7	-41.9	174.1	0	0	0	0	0	112.2	D302 L303 G309 Y310	D302-A306 PolarHBondContact O-N 2.83Å; D302-A306 VanDerWaalsContact O-N 3.14Å; L303-A306 PolarHBondContact O-N 3.31Å; A306-G309 WeakPolarHBondContact O-CA 3.08Å; A306-G309 PolarHBondContact O-N 3.43Å; A306-Y310 PolarHBondContact O-N 3.17Å
307	L	36.4	Very low	40.9	Very low	117 Å²	117	127.8 Å²	127.8	61%	0.613	63%	0.632	S	S	*	*	H	α-helix	trans	-62.6	-43.4	175.5	-85.4	159	0	0	0	113	L303 T305 G309 Y310 Q311	L303-L307 PolarHBondContact O-N 3.27Å; T305-L307 PolarHBondContact O-N 2.84Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-Y310 PolarHBondContact O-N 2.94Å; L307-Q311 PolarHBondContact O-N 3.37Å; L307-Q311 VanDerWaalsContact O-N 3.14Å
308	T	45.2	Very low	42.8	Very low	75 Å²	75	119.8 Å²	119.8	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-71.1	-28	174.4	45.7	0	0	0	0	112.4	Q304 T305 Q311 T312	Q304-T308 PolarHBondContact O-N 3.15Å; Q304-T308 PolarHBondContact O-OG1 2.93Å; T305-T308 WeakPolarHBondContact CA-OG1 3.33Å; T305-T308 PolarHBondContact O-N 3.23Å; T305-T308 PolarHBondContact O-OG1 3.32Å; T305-T308 VanDerWaalsContact O-OG1 3.07Å; T308-Q311 PolarHBondContact O-N 2.96Å; T308-T312 PolarHBondContact O-N 3.3Å; T308-T312 PolarHBondContact O-OG1 2.94Å
309	G	38.3	Very low	44.6	Very low	30 Å²	30	118.1 Å²	118.1	31%	0.309	59%	0.587	S	S	.	*	H	α-helix	trans	-59.5	-44.3	166.6	0	0	0	0	0	113.1	T305 A306 L307 T312 K313	T305-G309 PolarHBondContact O-N 3.28Å; A306-G309 WeakPolarHBondContact O-CA 3.08Å; A306-G309 PolarHBondContact O-N 3.43Å; L307-G309 VanDerWaalsContact C-N 3.32Å; G309-T312 WeakPolarHBondContact CA-OG1 3.29Å; G309-T312 PolarHBondContact O-N 3.23Å; G309-T312 PolarHBondContact O-OG1 3.17Å; G309-K313 PolarHBondContact O-N 3.32Å; G309-K313 VanDerWaalsContact O-N 3.14Å
310	Y	38.3	Very low	46.7	Very low	134 Å²	134	116.1 Å²	116.1	53%	0.525	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-41.9	175	-101.8	-106.7	0	0	0	112.5	A306 L307 T312 K313	A306-Y310 PolarHBondContact O-N 3.17Å; L307-Y310 PolarHBondContact O-N 2.94Å; Y310-T312 PolarHBondContact O-N 2.97Å; Y310-K313 HydrophobicContact CD1-CD 4.35Å; Y310-K313 HydrophobicContact CD2-CD 4.46Å; Y310-K313 HydrophobicContact CG-CD 4.3Å; Y310-K313 WeakPolarHBondContact O-CB 3.21Å; Y310-K313 PolarHBondContact O-N 2.89Å; Y310-K313 VanDerWaalsContact O-N 3.14Å
311	Q	34.9	Very low	49.1	Very low	139 Å²	139	108.2 Å²	108.2	65%	0.65	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-25.8	175	-67.3	-175.8	2.4	0	0	113.2	L307 T308	L307-Q311 PolarHBondContact O-N 3.37Å; L307-Q311 VanDerWaalsContact O-N 3.14Å; T308-Q311 PolarHBondContact O-N 2.96Å
312	T	41.7	Very low	51.5	Low	67 Å²	67	107.9 Å²	107.9	41%	0.411	55%	0.549	S	S	.	.	H	α-helix	trans	-84.6	-13.9	174	44.1	0	0	0	0	114.2	T308 G309 Y310 Q314 R315	T308-T312 PolarHBondContact O-N 3.3Å; T308-T312 PolarHBondContact O-OG1 2.94Å; G309-T312 WeakPolarHBondContact CA-OG1 3.29Å; G309-T312 PolarHBondContact O-N 3.23Å; G309-T312 PolarHBondContact O-OG1 3.17Å; Y310-T312 PolarHBondContact O-N 2.97Å; T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 PolarHBondContact O-N 3.16Å; T312-R315 WeakPolarHBondContact O-CA 3.39Å; T312-R315 WeakPolarHBondContact O-CB 3.25Å; T312-R315 PolarHBondContact O-N 3.42Å
313	K	42.7	Very low	53.9	Low	124 Å²	124	105.4 Å²	105.4	54%	0.539	54%	0.535	S	S	.	.	H	α-helix	trans	-58.9	-39.8	168	-70.9	174.4	-178.2	173.1	0	111.7	G309 Y310 R315 K316	G309-K313 PolarHBondContact O-N 3.32Å; G309-K313 VanDerWaalsContact O-N 3.14Å; Y310-K313 HydrophobicContact CD1-CD 4.35Å; Y310-K313 HydrophobicContact CD2-CD 4.46Å; Y310-K313 HydrophobicContact CG-CD 4.3Å; Y310-K313 WeakPolarHBondContact O-CB 3.21Å; Y310-K313 PolarHBondContact O-N 2.89Å; Y310-K313 VanDerWaalsContact O-N 3.14Å; K313-R315 PolarHBondContact O-N 3.42Å; K313-K316 PolarHBondContact O-N 3.42Å
314	Q	36.6	Very low	56.3	Low	180 Å²	180	102.3 Å²	102.3	84%	0.841	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.8	172.9	-70.1	-169.7	-4.1	0	0	114	T312	T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 PolarHBondContact O-N 3.16Å
315	R	43.6	Very low	58.7	Low	198 Å²	198	103.4 Å²	103.4	75%	0.747	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3.9	178.4	-64.9	-173.6	176.9	176.4	0.2	114.3	T312 K313 L317	T312-R315 WeakPolarHBondContact O-CA 3.39Å; T312-R315 WeakPolarHBondContact O-CB 3.25Å; T312-R315 PolarHBondContact O-N 3.42Å; K313-R315 PolarHBondContact O-N 3.42Å; R315-L317 PolarHBondContact O-N 2.93Å
316	K	53.6	Low	60.7	Low	125 Å²	125	102.1 Å²	102.1	54%	0.543	53%	0.529	S	S	.	.			trans	-77	10.9	179.7	-88.7	-153.4	174.1	-161.5	0	115.7	K313 D508	K313-K316 PolarHBondContact O-N 3.42Å; K316-D508 IonicContact NZ-OD1 2.73Å; K316-D508 PolarHBondContact NZ-OD1 2.86Å
317	L	59.9	Low	62.8	Low	130 Å²	130	109 Å²	109	68%	0.681	55%	0.552	S	S	*	*	S	Bend	trans	-77.7	130.6	165	-95.9	75.6	0	0	0	110.2	R315 E319	R315-L317 PolarHBondContact O-N 2.93Å; L317-E319 PolarHBondContact O-N 2.71Å
318	L	72.3	Confident	65.5	Low	25 Å²	25	105.6 Å²	105.6	13%	0.131	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-64.2	123.9	161.2	-80.8	169.9	0	0	0	109.3	I507 L510	L318-I507 HydrophobicContact CD1-CB 4.25Å; L318-I507 HydrophobicContact CD1-CG1 4.05Å; L318-I507 HydrophobicContact CD1-CG2 3.91Å; L318-I507 HydrophobicContact CG-CG2 4.15Å; L318-L510 HydrophobicContact CD1-CB 4.1Å; L318-L510 HydrophobicContact CD1-CD1 4.15Å; L318-L510 HydrophobicContact CD2-CB 3.48Å; L318-L510 VanDerWaalsContact CD2-CB 3.48Å; L318-L510 HydrophobicContact CG-CB 4.39Å
319	E	74.8	Confident	67.7	Low	167 Å²	167	106.5 Å²	106.5	78%	0.78	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-62.1	130.1	174.5	-64.5	-171.3	159.2	0	0	110	L317 V321	L317-E319 PolarHBondContact O-N 2.71Å; E319-V321 PolarHBondContact O-N 3.2Å
320	P	77.6	Confident	70.3	Confident	124 Å²	124	111.1 Å²	111.1	81%	0.805	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61.7	123	175.9	-25	35.2	0	0	0	111.6	D322	P320-D322 PolarHBondContact O-N 3.16Å
321	V	85.4	Confident	73.1	Confident	44 Å²	44	106.5 Å²	106.5	27%	0.267	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-77.9	116.4	-177.7	174	0	0	0	0	110.3	E319 H323 I326 N549	E319-V321 PolarHBondContact O-N 3.2Å; V321-H323 VanDerWaalsContact C-N 3.32Å; V321-H323 PolarHBondContact O-N 3.38Å; V321-I326 HydrophobicContact CG1-CD1 3.49Å; V321-I326 VanDerWaalsContact CG1-CD1 3.49Å; V321-N549 HydrophobicContact CG2-CB 4.48Å; V321-N549 WeakPolarHBondContact CG2-OD1 3.26Å
322	D	87.2	Confident	75.9	Confident	79 Å²	79	106.2 Å²	106.2	42%	0.422	53%	0.53	S	S	.	.			trans	-73.3	87.9	170.7	-170.7	-15	0	0	0	110.8	P320 G324 K325	P320-D322 PolarHBondContact O-N 3.16Å; D322-G324 PolarHBondContact O-N 2.9Å; D322-G324 VanDerWaalsContact O-N 3.12Å; D322-G324 WeakPolarHBondContact OD1-CA 3.49Å; D322-G324 PolarHBondContact OD1-N 3.12Å; D322-K325 HydrophobicContact CB-CD 4.41Å; D322-K325 HydrophobicContact CB-CG 4.33Å; D322-K325 PolarHBondContact O-N 3.28Å; D322-K325 IonicContact OD2-NZ 2.7Å; D322-K325 PolarHBondContact OD2-NZ 3.26Å
323	H	90.1	Very high	78.3	Confident	45 Å²	45	106 Å²	106	21%	0.208	52%	0.524	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-16.5	174.3	-64	-55.8	0	0	0	114.1	V321 K325 Y328 D548 V550 P552	V321-H323 VanDerWaalsContact C-N 3.32Å; V321-H323 PolarHBondContact O-N 3.38Å; H323-K325 VanDerWaalsContact C-N 3.32Å; H323-Y328 HydrophobicContact CB-CE2 4.28Å; H323-Y328 AromaticContact ND1-CE2 3.9Å; H323-Y328 AromaticContact ND1-CZ 3.74Å; H323-Y328 PolarHBondContact ND1-OH 3.01Å; H323-D548 PolarHBondContact NE2-O 3.35Å; H323-V550 PolarHBondContact NE2-O 3.45Å; H323-P552 HydrophobicContact CB-CG 4.43Å
324	G	89.4	Confident	80.8	Confident	74 Å²	74	104 Å²	104	76%	0.763	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-19.1	174.1	0	0	0	0	0	113.6	D322	D322-G324 PolarHBondContact O-N 2.9Å; D322-G324 VanDerWaalsContact O-N 3.12Å; D322-G324 WeakPolarHBondContact OD1-CA 3.49Å; D322-G324 PolarHBondContact OD1-N 3.12Å
325	K	90.1	Very high	83.4	Confident	170 Å²	170	96.1 Å²	96.1	74%	0.739	48%	0.482	S	S	*	.	S	Bend	trans	-95.5	-4.2	176.5	-66.4	-173.2	179.3	88.1	0	114.1	D322 H323	D322-K325 HydrophobicContact CB-CD 4.41Å; D322-K325 HydrophobicContact CB-CG 4.33Å; D322-K325 PolarHBondContact O-N 3.28Å; D322-K325 IonicContact OD2-NZ 2.7Å; D322-K325 PolarHBondContact OD2-NZ 3.26Å; H323-K325 VanDerWaalsContact C-N 3.32Å
326	I	90.3	Very high	85.7	Confident	42 Å²	42	88.1 Å²	88.1	22%	0.215	45%	0.452	C	S	.	.			trans	-108.9	116.6	-175.8	-60.5	176.5	0	0	0	109.6	V321 Y328	V321-I326 HydrophobicContact CG1-CD1 3.49Å; V321-I326 VanDerWaalsContact CG1-CD1 3.49Å; I326-Y328 HydrophobicContact CB-CD2 4.35Å; I326-Y328 HydrophobicContact CB-CE2 3.76Å; I326-Y328 HydrophobicContact CG2-CD1 4.06Å; I326-Y328 HydrophobicContact CG2-CD2 4.1Å; I326-Y328 HydrophobicContact CG2-CE1 3.65Å; I326-Y328 HydrophobicContact CG2-CE2 3.73Å; I326-Y328 HydrophobicContact CG2-CG 4.26Å; I326-Y328 VanDerWaalsContact CG2-CZ 3.47Å; I326-Y328 VanDerWaalsContact O-CD2 3.27Å; I326-Y328 WeakPolarHBondContact O-CD2 3.47Å
327	E	91	Very high	87.5	Confident	200 Å²	200	87.4 Å²	87.4	94%	0.935	46%	0.458	S	S	*	.			trans	-71.5	127.6	166.2	-173	167.6	-162.1	0	0	109.5
328	Y	92.8	Very high	88.9	Confident	46 Å²	46	84.6 Å²	84.6	18%	0.18	44%	0.441	C	S	.	.			trans	-114.6	127	-174.1	-80.1	-67.3	0	0	0	111.5	H323 I326 R551	H323-Y328 HydrophobicContact CB-CE2 4.28Å; H323-Y328 AromaticContact ND1-CE2 3.9Å; H323-Y328 AromaticContact ND1-CZ 3.74Å; H323-Y328 PolarHBondContact ND1-OH 3.01Å; I326-Y328 HydrophobicContact CB-CD2 4.35Å; I326-Y328 HydrophobicContact CB-CE2 3.76Å; I326-Y328 HydrophobicContact CG2-CD1 4.06Å; I326-Y328 HydrophobicContact CG2-CD2 4.1Å; I326-Y328 HydrophobicContact CG2-CE1 3.65Å; I326-Y328 HydrophobicContact CG2-CE2 3.73Å; I326-Y328 HydrophobicContact CG2-CG 4.26Å; I326-Y328 VanDerWaalsContact CG2-CZ 3.47Å; I326-Y328 VanDerWaalsContact O-CD2 3.27Å; I326-Y328 WeakPolarHBondContact O-CD2 3.47Å; Y328-R551 HydrophobicContact CD1-CB 3.94Å; Y328-R551 HydrophobicContact CD2-CB 4.27Å; Y328-R551 HydrophobicContact CE1-CB 3.63Å; Y328-R551 HydrophobicContact CE1-CG 4.46Å; Y328-R551 HydrophobicContact CE2-CB 3.96Å; Y328-R551 HydrophobicContact CG-CB 4.26Å
329	E	90.9	Very high	89.9	Confident	93 Å²	93	85.1 Å²	85.1	44%	0.435	45%	0.445	S	S	.	.			trans	-53.7	133	174.6	-77.3	174.8	-134	0	0	111.8	R438 R551	E329-R438 IonicContact OE1-CZ 3.35Å; E329-R438 IonicContact OE1-NE 3.8Å; E329-R438 PolarHBondContact OE1-NE 3.09Å; E329-R438 IonicContact OE1-NH2 2.65Å; E329-R438 PolarHBondContact OE1-NH2 3.41Å; E329-R438 IonicContact OE2-CZ 3.9Å; E329-R438 IonicContact OE2-NE 3.28Å; E329-R438 PolarHBondContact OE2-NE 3.33Å; E329-R438 IonicContact OE2-NH2 2.75Å; E329-R551 PolarHBondContact O-NH1 2.98Å; E329-R551 PolarHBondContact O-NH2 3.38Å
330	P	93.8	Very high	90.6	Very high	127 Å²	127	81.7 Å²	81.7	83%	0.825	44%	0.438	S	S	*	.			trans	-71.2	133.4	176	29.6	-34	0	0	0	110.3
331	F	95.6	Very high	91.2	Very high	38 Å²	38	82 Å²	82	17%	0.167	43%	0.428	C	S	.	.			trans	-126.9	152.4	177.3	70.8	-77.7	0	0	0	111.6	K333 H433 T524 D553	F331-K333 HydrophobicContact CD2-CG 4.16Å; F331-K333 HydrophobicContact CE2-CD 4.32Å; F331-K333 HydrophobicContact CE2-CG 3.57Å; F331-K333 HydrophobicContact CZ-CD 4.47Å; F331-K333 HydrophobicContact CZ-CG 4.13Å; F331-H433 AromaticContact CD2-CE1 3.61Å; F331-H433 AromaticContact CE2-CE1 3.59Å; F331-T524 HydrophobicContact CB-CG2 4.46Å; F331-T524 HydrophobicContact CD1-CG2 3.53Å; F331-T524 HydrophobicContact CD2-CG2 3.92Å; F331-T524 HydrophobicContact CE1-CG2 3.54Å; F331-T524 HydrophobicContact CE2-CG2 3.93Å; F331-T524 HydrophobicContact CG-CG2 3.71Å; F331-T524 HydrophobicContact CZ-CG2 3.72Å; F331-D553 WeakPolarHBondContact CE1-OD2 3.4Å; F331-D553 VanDerWaalsContact CZ-O 3.23Å; F331-D553 WeakPolarHBondContact CZ-O 3.45Å
332	R	94.8	Very high	91.5	Very high	133 Å²	133	80 Å²	80	50%	0.502	42%	0.416	S	S	.	.			trans	-78.2	134.8	174.1	-174.6	178.9	-178.5	166.1	0.4	109.9	N334 F335 D436	R332-N334 PolarHBondContact NE-O 3.39Å; R332-N334 PolarHBondContact NH2-O 3.01Å; R332-F335 HydrophobicContact CB-CE1 3.92Å; R332-F335 HydrophobicContact CB-CZ 4.45Å; R332-F335 HydrophobicContact CG-CD1 4.11Å; R332-F335 HydrophobicContact CG-CE1 3.75Å; R332-F335 HydrophobicContact CG-CZ 4.46Å; R332-F335 WeakPolarHBondContact O-CZ 3.35Å; R332-D436 VanDerWaalsContact CD-OD2 3.22Å; R332-D436 WeakPolarHBondContact CD-OD2 3.17Å
333	K	92.6	Very high	91.6	Very high	62 Å²	62	78.7 Å²	78.7	27%	0.27	42%	0.416	S	S	.	.			trans	-103.7	-38.4	169.7	-62.4	-168.4	177.5	-170.8	0	114.2	F331 F335 G409 D553 R554	F331-K333 HydrophobicContact CD2-CG 4.16Å; F331-K333 HydrophobicContact CE2-CD 4.32Å; F331-K333 HydrophobicContact CE2-CG 3.57Å; F331-K333 HydrophobicContact CZ-CD 4.47Å; F331-K333 HydrophobicContact CZ-CG 4.13Å; K333-F335 VanDerWaalsContact O-CD2 3.3Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 VanDerWaalsContact O-CE2 3.23Å; K333-F335 WeakPolarHBondContact O-CE2 3.38Å; K333-F335 PolarHBondContact O-N 3.49Å; K333-G409 WeakPolarHBondContact O-CA 3.36Å; K333-G409 PolarHBondContact O-N 2.77Å; K333-D553 WeakPolarHBondContact CE-O 3.48Å; K333-D553 PolarHBondContact NZ-O 2.87Å; K333-R554 PolarHBondContact NZ-O 3.17Å
334	N	94.3	Very high	91.8	Very high	83 Å²	83	85.1 Å²	85.1	44%	0.444	44%	0.443	S	S	.	.			trans	-94.9	101.2	-171.5	-175.3	3.4	0	0	0	111.4	R332 Y336 S408	R332-N334 PolarHBondContact NE-O 3.39Å; R332-N334 PolarHBondContact NH2-O 3.01Å; N334-Y336 PolarHBondContact OD1-N 2.98Å; N334-S408 WeakPolarHBondContact CB-O 3.48Å; N334-S408 WeakPolarHBondContact OD1-CA 3.26Å
335	F	91.4	Very high	91.9	Very high	14 Å²	14	82.4 Å²	82.4	6%	0.061	41%	0.411	C	S	.	.			trans	-100.7	-11.7	175.2	-43.4	-74.3	0	0	0	112.6	R332 K333 V337 M407 R432 H433 D436	R332-F335 HydrophobicContact CB-CE1 3.92Å; R332-F335 HydrophobicContact CB-CZ 4.45Å; R332-F335 HydrophobicContact CG-CD1 4.11Å; R332-F335 HydrophobicContact CG-CE1 3.75Å; R332-F335 HydrophobicContact CG-CZ 4.46Å; R332-F335 WeakPolarHBondContact O-CZ 3.35Å; K333-F335 VanDerWaalsContact O-CD2 3.3Å; K333-F335 WeakPolarHBondContact O-CD2 3.31Å; K333-F335 VanDerWaalsContact O-CE2 3.23Å; K333-F335 WeakPolarHBondContact O-CE2 3.38Å; K333-F335 PolarHBondContact O-N 3.49Å; F335-V337 PolarHBondContact O-N 3.32Å; F335-M407 PolarHBondContact N-O 2.7Å; F335-R432 HydrophobicContact CB-CG 3.99Å; F335-R432 HydrophobicContact CD2-CG 4.29Å; F335-R432 HydrophobicContact CG-CG 4.02Å; F335-H433 HydrophobicContact CE2-CB 3.88Å; F335-H433 AromaticContact CE2-ND1 3.43Å; F335-H433 WeakPolarHBondContact CE2-ND1 3.44Å; F335-H433 HydrophobicContact CZ-CB 4.2Å; F335-H433 AromaticContact CZ-ND1 3.54Å; F335-D436 HydrophobicContact CD1-CB 4.24Å; F335-D436 HydrophobicContact CE1-CB 3.5Å; F335-D436 VanDerWaalsContact CE1-CB 3.5Å; F335-D436 WeakPolarHBondContact CE1-OD2 3.33Å; F335-D436 HydrophobicContact CZ-CB 4.21Å
336	Y	92.2	Very high	92	Very high	29 Å²	29	76.6 Å²	76.6	11%	0.114	39%	0.392	C	S	.	.			trans	-72.3	124.9	-173.8	-170.5	-111.4	0	0	0	111.8	N334 E338 L342 P368 P404 M407	N334-Y336 PolarHBondContact OD1-N 2.98Å; Y336-E338 HydrophobicContact CE1-CB 3.85Å; Y336-E338 HydrophobicContact CE1-CG 4.38Å; Y336-L342 WeakPolarHBondContact OH-CD1 3.37Å; Y336-P368 HydrophobicContact CD1-CB 4.22Å; Y336-P368 HydrophobicContact CD1-CG 4.34Å; Y336-P368 HydrophobicContact CE1-CB 3.89Å; Y336-P368 HydrophobicContact CE1-CG 4.49Å; Y336-P404 HydrophobicContact CD2-CB 3.94Å; Y336-P404 HydrophobicContact CE1-CB 4.32Å; Y336-P404 HydrophobicContact CE2-CB 3.47Å; Y336-P404 VanDerWaalsContact CE2-CB 3.47Å; Y336-M407 HydrophobicContact CD2-CB 4.1Å; Y336-M407 HydrophobicContact CG-CB 4.38Å; Y336-M407 PolarHBondContact N-O 3Å
337	V	90.6	Very high	92	Very high	110 Å²	110	80 Å²	80	67%	0.667	41%	0.407	S	S	*	.			trans	-119	112.5	170.2	-179.3	0	0	0	0	106.7	F335 V339	F335-V337 PolarHBondContact O-N 3.32Å; V337-V339 PolarHBondContact O-N 3.06Å
338	E	89.8	Confident	92.1	Very high	72 Å²	72	77.9 Å²	77.9	34%	0.336	40%	0.397	S	S	.	.			trans	-65.5	123.8	179.2	-172	175.5	-152	0	0	110	Y336 L342 A343 K369	Y336-E338 HydrophobicContact CE1-CB 3.85Å; Y336-E338 HydrophobicContact CE1-CG 4.38Å; E338-L342 HydrophobicContact CG-CB 3.8Å; E338-A343 HydrophobicContact CG-CB 4.17Å; E338-A343 PolarHBondContact OE1-N 2.97Å; E338-K369 WeakPolarHBondContact OE1-CD 3.46Å; E338-K369 WeakPolarHBondContact OE1-CE 3.44Å; E338-K369 WeakPolarHBondContact OE1-CG 3.21Å; E338-K369 IonicContact OE1-NZ 3.23Å
339	V	92.4	Very high	92.1	Very high	36 Å²	36	80.8 Å²	80.8	22%	0.218	41%	0.412	C	S	.	.			trans	-69.7	148.6	178.3	-61.4	0	0	0	0	110.7	V337 E341 L342 A343 Q376	V337-V339 PolarHBondContact O-N 3.06Å; V339-E341 HydrophobicContact CG2-CB 4.16Å; V339-E341 PolarHBondContact O-N 3.29Å; V339-L342 HydrophobicContact CG2-CB 4.09Å; V339-L342 HydrophobicContact CG2-CD1 3.89Å; V339-L342 HydrophobicContact CG2-CG 3.62Å; V339-L342 PolarHBondContact O-N 2.92Å; V339-A343 PolarHBondContact O-N 3.37Å; V339-Q376 HydrophobicContact CG1-CB 4.43Å; V339-Q376 HydrophobicContact CG1-CG 4.46Å; V339-Q376 HydrophobicContact CG2-CB 4.18Å; V339-Q376 HydrophobicContact CG2-CG 3.85Å
340	P	90.8	Very high	92.2	Very high	95 Å²	95	76.4 Å²	76.4	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-56.6	-22.4	-178.8	-28.6	36.1	0	0	0	115.3	K344	P340-K344 WeakPolarHBondContact O-CD 3.46Å; P340-K344 WeakPolarHBondContact O-CG 3.25Å; P340-K344 PolarHBondContact O-N 3.46Å
341	E	90.4	Very high	92.1	Very high	131 Å²	131	74.3 Å²	74.3	61%	0.612	37%	0.374	S	S	*	.	H	α-helix	trans	-69.4	-41.5	174.3	-57.9	175.2	153.7	0	0	112.3	V339 Q376	V339-E341 HydrophobicContact CG2-CB 4.16Å; V339-E341 PolarHBondContact O-N 3.29Å; E341-Q376 PolarHBondContact OE2-NE2 3.44Å
342	L	90.9	Very high	92.1	Very high	1 Å²	1	76.4 Å²	76.4	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-77.3	-42.9	176.7	-62.1	179.4	0	0	0	109.9	Y336 E338 V339 K344 M345 K369 P370 I371 Q376	Y336-L342 WeakPolarHBondContact OH-CD1 3.37Å; E338-L342 HydrophobicContact CG-CB 3.8Å; V339-L342 HydrophobicContact CG2-CB 4.09Å; V339-L342 HydrophobicContact CG2-CD1 3.89Å; V339-L342 HydrophobicContact CG2-CG 3.62Å; V339-L342 PolarHBondContact O-N 2.92Å; L342-K344 PolarHBondContact O-N 3.21Å; L342-M345 HydrophobicContact CD2-CE 3.39Å; L342-M345 WeakPolarHBondContact O-CB 3.49Å; L342-M345 PolarHBondContact O-N 3.41Å; L342-K369 VanDerWaalsContact O-CD 3.23Å; L342-K369 WeakPolarHBondContact O-CD 3.44Å; L342-K369 WeakPolarHBondContact O-CE 3.37Å; L342-K369 PolarHBondContact O-NZ 3.43Å; L342-P370 WeakPolarHBondContact CD2-O 3.4Å; L342-I371 HydrophobicContact CD1-CG2 4.05Å; L342-Q376 HydrophobicContact CD1-CB 4.31Å
343	A	90.4	Very high	92	Very high	51 Å²	51	71.2 Å²	71.2	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-54.9	-38.7	179.2	0	0	0	0	0	112.8	E338 V339 M345 K369	E338-A343 HydrophobicContact CG-CB 4.17Å; E338-A343 PolarHBondContact OE1-N 2.97Å; V339-A343 PolarHBondContact O-N 3.37Å; A343-M345 PolarHBondContact O-N 3.06Å; A343-K369 PolarHBondContact O-NZ 3.44Å
344	K	92.4	Very high	92	Very high	181 Å²	181	69.6 Å²	69.6	79%	0.787	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.6	175.6	-74.9	171.1	-175.3	179.6	0	115.1	P340 L342 S346	P340-K344 WeakPolarHBondContact O-CD 3.46Å; P340-K344 WeakPolarHBondContact O-CG 3.25Å; P340-K344 PolarHBondContact O-N 3.46Å; L342-K344 PolarHBondContact O-N 3.21Å; K344-S346 PolarHBondContact O-N 3.11Å
345	M	91.6	Very high	91.8	Very high	16 Å²	16	72 Å²	72	8%	0.079	38%	0.375	C	S	.	.			trans	-65.6	129.6	-174.1	-162	-177.3	-35.6	0	0	111.1	L342 A343 E349 V350 K369 K372	L342-M345 HydrophobicContact CD2-CE 3.39Å; L342-M345 WeakPolarHBondContact O-CB 3.49Å; L342-M345 PolarHBondContact O-N 3.41Å; A343-M345 PolarHBondContact O-N 3.06Å; M345-E349 VanDerWaalsContact CA-OE2 3.3Å; M345-E349 WeakPolarHBondContact CA-OE2 3.47Å; M345-E349 HydrophobicContact CG-CB 3.53Å; M345-E349 HydrophobicContact CG-CG 4.49Å; M345-E349 WeakPolarHBondContact CG-OE2 3.35Å; M345-E349 HydrophobicContact SD-CB 4.28Å; M345-V350 HydrophobicContact CB-CG2 4.29Å; M345-V350 HydrophobicContact CG-CG2 3.96Å; M345-V350 HydrophobicContact SD-CG2 3.72Å; M345-K369 HydrophobicContact CB-CD 4.45Å; M345-K369 PolarHBondContact O-NZ 3.03Å; M345-K372 HydrophobicContact CE-CD 4.36Å
346	S	93.6	Very high	91.8	Very high	49 Å²	49	77.7 Å²	77.7	34%	0.343	40%	0.402	S	S	.	.			trans	-68.9	160.2	179.6	92	0	0	0	0	111.4	K344 E348 E349 V350	K344-S346 PolarHBondContact O-N 3.11Å; S346-E348 PolarHBondContact O-N 2.61Å; S346-E348 PolarHBondContact OG-N 2.98Å; S346-E349 PolarHBondContact N-OE2 2.89Å; S346-E349 PolarHBondContact O-N 2.98Å; S346-E349 WeakPolarHBondContact OG-CG 3.4Å; S346-E349 PolarHBondContact OG-N 3.33Å; S346-V350 VanDerWaalsContact O-CG2 3.3Å; S346-V350 WeakPolarHBondContact O-CG2 3.35Å; S346-V350 PolarHBondContact O-N 3.37Å
347	Q	90.1	Very high	91.6	Very high	112 Å²	112	78.1 Å²	78.1	52%	0.523	41%	0.405	S	S	.	.	H	α-helix	trans	-66	-25.7	176.8	-170.6	54.9	71.7	0	0	112.2	N351	Q347-N351 PolarHBondContact NE2-OD1 3.5Å; Q347-N351 WeakPolarHBondContact O-CB 3.2Å; Q347-N351 PolarHBondContact O-N 2.99Å; Q347-N351 PolarHBondContact O-ND2 3.21Å; Q347-N351 PolarHBondContact O-OD1 3.49Å
348	E	92.3	Very high	91.3	Very high	156 Å²	156	76.9 Å²	76.9	73%	0.729	39%	0.392	S	S	*	.	H	α-helix	trans	-72	-47.9	175.1	-63	173.4	173.8	0	0	110.5	S346 V350 N351 V352	S346-E348 PolarHBondContact O-N 2.61Å; S346-E348 PolarHBondContact OG-N 2.98Å; E348-V350 VanDerWaalsContact C-N 3.31Å; E348-V350 PolarHBondContact O-N 3.18Å; E348-N351 PolarHBondContact O-N 2.89Å; E348-V352 WeakPolarHBondContact O-CG2 3.48Å; E348-V352 PolarHBondContact O-N 3.28Å
349	E	93.3	Very high	91.2	Very high	107 Å²	107	74.9 Å²	74.9	50%	0.5	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-39.3	174.2	-70.3	175.1	143.1	0	0	112.2	M345 S346 N351 F353	M345-E349 VanDerWaalsContact CA-OE2 3.3Å; M345-E349 WeakPolarHBondContact CA-OE2 3.47Å; M345-E349 HydrophobicContact CG-CB 3.53Å; M345-E349 HydrophobicContact CG-CG 4.49Å; M345-E349 WeakPolarHBondContact CG-OE2 3.35Å; M345-E349 HydrophobicContact SD-CB 4.28Å; S346-E349 PolarHBondContact N-OE2 2.89Å; S346-E349 PolarHBondContact O-N 2.98Å; S346-E349 WeakPolarHBondContact OG-CG 3.4Å; S346-E349 PolarHBondContact OG-N 3.33Å; E349-N351 VanDerWaalsContact C-N 3.34Å; E349-F353 WeakPolarHBondContact O-CB 3.41Å; E349-F353 PolarHBondContact O-N 2.97Å
350	V	93.1	Very high	91.2	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-63	-40.7	173.2	168.6	0	0	0	0	111.4	M345 S346 E348 R354 K369	M345-V350 HydrophobicContact CB-CG2 4.29Å; M345-V350 HydrophobicContact CG-CG2 3.96Å; M345-V350 HydrophobicContact SD-CG2 3.72Å; S346-V350 VanDerWaalsContact O-CG2 3.3Å; S346-V350 WeakPolarHBondContact O-CG2 3.35Å; S346-V350 PolarHBondContact O-N 3.37Å; E348-V350 VanDerWaalsContact C-N 3.31Å; E348-V350 PolarHBondContact O-N 3.18Å; V350-R354 WeakPolarHBondContact O-CB 3.36Å; V350-R354 VanDerWaalsContact O-CG 3.26Å; V350-R354 WeakPolarHBondContact O-CG 3.44Å; V350-R354 PolarHBondContact O-N 3.35Å; V350-K369 HydrophobicContact CG2-CB 4.28Å; V350-K369 HydrophobicContact CG2-CD 3.7Å; V350-K369 HydrophobicContact CG2-CG 3.95Å
351	N	92.1	Very high	91.3	Very high	83 Å²	83	72.2 Å²	72.2	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-72.2	-37.5	180	-69.7	-10.2	0	0	0	111.8	Q347 E348 E349 R354 L355	Q347-N351 PolarHBondContact NE2-OD1 3.5Å; Q347-N351 WeakPolarHBondContact O-CB 3.2Å; Q347-N351 PolarHBondContact O-N 2.99Å; Q347-N351 PolarHBondContact O-ND2 3.21Å; Q347-N351 PolarHBondContact O-OD1 3.49Å; E348-N351 PolarHBondContact O-N 2.89Å; E349-N351 VanDerWaalsContact C-N 3.34Å; N351-R354 PolarHBondContact O-N 3.02Å; N351-L355 WeakPolarHBondContact O-CB 3.41Å; N351-L355 PolarHBondContact O-N 3.27Å
352	V	93.9	Very high	91.5	Very high	82 Å²	82	68 Å²	68	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-51	171.7	171.9	0	0	0	0	110.3	E348 R354 L355 E356	E348-V352 WeakPolarHBondContact O-CG2 3.48Å; E348-V352 PolarHBondContact O-N 3.28Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 3.49Å; V352-L355 WeakPolarHBondContact O-CA 3.19Å; V352-L355 WeakPolarHBondContact O-CB 3.5Å; V352-L355 PolarHBondContact O-N 2.87Å; V352-E356 HydrophobicContact CG1-CG 4.37Å; V352-E356 WeakPolarHBondContact O-CG 3.42Å; V352-E356 PolarHBondContact O-N 2.95Å
353	F	93.4	Very high	91.6	Very high	24 Å²	24	72.4 Å²	72.4	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-34	179.5	-178.7	-109.1	0	0	0	113	E349 L355 M357 P370 K372	E349-F353 WeakPolarHBondContact O-CB 3.41Å; E349-F353 PolarHBondContact O-N 2.97Å; F353-L355 VanDerWaalsContact C-N 3.34Å; F353-M357 HydrophobicContact CD1-CG 4.33Å; F353-M357 HydrophobicContact CD2-CG 4.11Å; F353-M357 HydrophobicContact CE1-CG 3.91Å; F353-M357 HydrophobicContact CE2-CG 3.65Å; F353-M357 HydrophobicContact CE2-SD 3.81Å; F353-M357 HydrophobicContact CG-CG 4.43Å; F353-M357 HydrophobicContact CZ-CE 4.5Å; F353-M357 HydrophobicContact CZ-CG 3.53Å; F353-M357 HydrophobicContact CZ-SD 3.76Å; F353-M357 WeakPolarHBondContact O-CB 3.42Å; F353-M357 WeakPolarHBondContact O-CG 3.24Å; F353-M357 PolarHBondContact O-N 3.23Å; F353-M357 VanDerWaalsContact O-N 3.1Å; F353-P370 HydrophobicContact CD1-CB 4.33Å; F353-P370 HydrophobicContact CD1-CG 3.71Å; F353-P370 HydrophobicContact CE1-CB 4.15Å; F353-P370 HydrophobicContact CE1-CG 4.04Å; F353-K372 HydrophobicContact CD1-CG 4.5Å; F353-K372 HydrophobicContact CE1-CG 3.88Å; F353-K372 HydrophobicContact CE2-CD 4.32Å; F353-K372 HydrophobicContact CE2-CG 4.16Å; F353-K372 HydrophobicContact CZ-CD 4.34Å; F353-K372 HydrophobicContact CZ-CG 3.7Å
354	R	93.7	Very high	91.6	Very high	29 Å²	29	72.5 Å²	72.5	11%	0.109	38%	0.38	C	S	.	.	H	α-helix	trans	-62.1	-40.3	169.8	-80.9	175.8	177.4	150.3	-0.9	112	V350 N351 V352 G359 I360 P370 Q401	V350-R354 WeakPolarHBondContact O-CB 3.36Å; V350-R354 VanDerWaalsContact O-CG 3.26Å; V350-R354 WeakPolarHBondContact O-CG 3.44Å; V350-R354 PolarHBondContact O-N 3.35Å; N351-R354 PolarHBondContact O-N 3.02Å; V352-R354 VanDerWaalsContact C-N 3.31Å; V352-R354 PolarHBondContact O-N 3.49Å; R354-G359 CarbonylContact O-C 3.6Å; R354-I360 HydrophobicContact CB-CB 4.1Å; R354-I360 HydrophobicContact CG-CB 4.15Å; R354-I360 PolarHBondContact O-N 3.32Å; R354-P370 HydrophobicContact CG-CG 4.24Å; R354-Q401 VanDerWaalsContact CZ-OE1 3.27Å
355	L	90.1	Very high	91.5	Very high	134 Å²	134	72.9 Å²	72.9	70%	0.702	38%	0.382	S	S	*	.	H	α-helix	trans	-69	-41.5	177.9	-171.2	144.1	0	0	0	112.1	N351 V352 F353 M357 G359	N351-L355 WeakPolarHBondContact O-CB 3.41Å; N351-L355 PolarHBondContact O-N 3.27Å; V352-L355 WeakPolarHBondContact O-CA 3.19Å; V352-L355 WeakPolarHBondContact O-CB 3.5Å; V352-L355 PolarHBondContact O-N 2.87Å; F353-L355 VanDerWaalsContact C-N 3.34Å; L355-M357 VanDerWaalsContact C-N 3.33Å; L355-M357 PolarHBondContact O-N 3.01Å; L355-G359 PolarHBondContact O-N 3.29Å; L355-G359 VanDerWaalsContact O-N 3.16Å
356	E	90.8	Very high	91.3	Very high	132 Å²	132	75.1 Å²	75.1	62%	0.617	41%	0.409	S	S	*	.	H	α-helix	trans	-59.1	-39.7	174.1	-69.8	172	164	0	0	112.7	V352 E358	V352-E356 HydrophobicContact CG1-CG 4.37Å; V352-E356 WeakPolarHBondContact O-CG 3.42Å; V352-E356 PolarHBondContact O-N 2.95Å; E356-E358 VanDerWaalsContact C-N 3.3Å; E356-E358 PolarHBondContact O-N 3.06Å
357	M	88.3	Confident	91.2	Very high	39 Å²	39	74.2 Å²	74.2	19%	0.192	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	63.8	-176.7	-65.3	-69.7	-60.8	0	0	112.2	F353 L355 G359 I360 P397 T400	F353-M357 HydrophobicContact CD1-CG 4.33Å; F353-M357 HydrophobicContact CD2-CG 4.11Å; F353-M357 HydrophobicContact CE1-CG 3.91Å; F353-M357 HydrophobicContact CE2-CG 3.65Å; F353-M357 HydrophobicContact CE2-SD 3.81Å; F353-M357 HydrophobicContact CG-CG 4.43Å; F353-M357 HydrophobicContact CZ-CE 4.5Å; F353-M357 HydrophobicContact CZ-CG 3.53Å; F353-M357 HydrophobicContact CZ-SD 3.76Å; F353-M357 WeakPolarHBondContact O-CB 3.42Å; F353-M357 WeakPolarHBondContact O-CG 3.24Å; F353-M357 PolarHBondContact O-N 3.23Å; F353-M357 VanDerWaalsContact O-N 3.1Å; L355-M357 VanDerWaalsContact C-N 3.33Å; L355-M357 PolarHBondContact O-N 3.01Å; M357-G359 PolarHBondContact O-N 2.76Å; M357-I360 HydrophobicContact CB-CD1 3.74Å; M357-I360 HydrophobicContact CB-CG1 3.95Å; M357-I360 WeakPolarHBondContact O-CG1 3.36Å; M357-P397 HydrophobicContact CB-CB 4.31Å; M357-P397 HydrophobicContact CE-CB 4.26Å; M357-P397 HydrophobicContact CE-CG 3.97Å; M357-P397 WeakPolarHBondContact O-CB 3.46Å; M357-T400 HydrophobicContact CE-CG2 3.67Å
358	E	84.1	Confident	91.4	Very high	84 Å²	84	69.9 Å²	69.9	39%	0.393	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.9	-178	-60.2	-172.2	156.5	0	0	114.2	E356 P397 K417 V583 G584	E356-E358 VanDerWaalsContact C-N 3.3Å; E356-E358 PolarHBondContact O-N 3.06Å; E358-P397 HydrophobicContact CB-CB 4.36Å; E358-P397 HydrophobicContact CB-CG 4.14Å; E358-P397 HydrophobicContact CG-CG 3.83Å; E358-K417 VanDerWaalsContact OE1-CE 3.29Å; E358-K417 WeakPolarHBondContact OE1-CE 3.5Å; E358-K417 IonicContact OE1-NZ 3.43Å; E358-K417 PolarHBondContact OE1-NZ 3.26Å; E358-K417 WeakPolarHBondContact OE2-CE 3.38Å; E358-K417 IonicContact OE2-NZ 2.82Å; E358-V583 HydrophobicContact CB-CG1 3.82Å; E358-G584 WeakPolarHBondContact O-CA 3.38Å; E358-G584 PolarHBondContact O-N 3.06Å
359	G	87.3	Confident	91.6	Very high	29 Å²	29	64.4 Å²	64.4	30%	0.299	36%	0.358	S	S	.	.			trans	67.4	51	175.1	0	0	0	0	0	114.7	R354 L355 M357 T361	R354-G359 CarbonylContact O-C 3.6Å; L355-G359 PolarHBondContact O-N 3.29Å; L355-G359 VanDerWaalsContact O-N 3.16Å; M357-G359 PolarHBondContact O-N 2.76Å; G359-T361 PolarHBondContact O-N 2.66Å; G359-T361 VanDerWaalsContact O-N 3.14Å
360	I	93.5	Very high	91.6	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	33%	0.334	C	S	.	.			trans	-60.8	115.5	176.9	-46	-173.2	0	0	0	110.7	R354 M357 V362 P397 T400 Q401 V581 V583	R354-I360 HydrophobicContact CB-CB 4.1Å; R354-I360 HydrophobicContact CG-CB 4.15Å; R354-I360 PolarHBondContact O-N 3.32Å; M357-I360 HydrophobicContact CB-CD1 3.74Å; M357-I360 HydrophobicContact CB-CG1 3.95Å; M357-I360 WeakPolarHBondContact O-CG1 3.36Å; I360-V362 HydrophobicContact CG2-CG2 4.15Å; I360-P397 HydrophobicContact CD1-CB 4.42Å; I360-P397 VanDerWaalsContact CD1-O 3.31Å; I360-P397 WeakPolarHBondContact CD1-O 3.49Å; I360-T400 WeakPolarHBondContact CD1-OG1 3.43Å; I360-Q401 HydrophobicContact CD1-CB 4.1Å; I360-Q401 HydrophobicContact CG2-CB 3.94Å; I360-Q401 HydrophobicContact CG2-CG 3.97Å; I360-V581 HydrophobicContact CG2-CG1 4.03Å; I360-V583 HydrophobicContact CG1-CG2 4.27Å; I360-V583 HydrophobicContact CG2-CG2 4.45Å
361	T	92.8	Very high	91.7	Very high	67 Å²	67	59.3 Å²	59.3	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.1	169.2	59.6	0	0	0	0	110.3	G359 Q582	G359-T361 PolarHBondContact O-N 2.66Å; G359-T361 VanDerWaalsContact O-N 3.14Å; T361-Q582 PolarHBondContact N-O 3.5Å; T361-Q582 PolarHBondContact O-N 3.1Å; T361-Q582 WeakPolarHBondContact OG1-CB 3.22Å; T361-Q582 PolarHBondContact OG1-O 3.21Å
362	V	94.2	Very high	91.7	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.255	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	129.9	-174.3	179.5	0	0	0	0	109.5	I360 C367 Q401 I579 E580	I360-V362 HydrophobicContact CG2-CG2 4.15Å; V362-C367 HydrophobicContact CG1-CB 3.62Å; V362-Q401 HydrophobicContact CG2-CG 3.82Å; V362-I579 HydrophobicContact CG1-CG2 4.11Å; V362-E580 CarbonylContact C-O 3.57Å; V362-E580 VanDerWaalsContact CA-O 3.32Å; V362-E580 WeakPolarHBondContact CA-O 3.19Å
363	K	92.6	Very high	91.7	Very high	95 Å²	95	58.3 Å²	58.3	41%	0.413	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	158.1	172.1	-36	-162.7	-166.2	91.5	0	110.7	E580	K363-E580 HydrophobicContact CB-CB 3.95Å; K363-E580 VanDerWaalsContact CD-OE2 3.29Å; K363-E580 WeakPolarHBondContact CD-OE2 3.46Å; K363-E580 HydrophobicContact CG-CB 4.28Å; K363-E580 PolarHBondContact N-O 2.85Å; K363-E580 IonicContact NZ-OE1 3.6Å; K363-E580 PolarHBondContact NZ-OE1 3.38Å; K363-E580 IonicContact NZ-OE2 2.74Å; K363-E580 PolarHBondContact NZ-OE2 2.87Å; K363-E580 PolarHBondContact O-N 2.94Å
364	G	90.1	Very high	91.6	Very high	52 Å²	52	58 Å²	58	54%	0.536	32%	0.323	S	S	.	.	S	Bend	trans	94.3	160.5	-172.6	0	0	0	0	0	113.1
365	K	90.1	Very high	91.5	Very high	189 Å²	189	61.7 Å²	61.7	82%	0.822	35%	0.349	S	S	*	.	S	Bend	trans	-90.2	145.3	-175.5	-63.1	-177	-179.2	-179.1	0	111.6	R410	K365-R410 PolarHBondContact O-NH1 3.05Å; K365-R410 PolarHBondContact O-NH2 2.95Å
366	G	87.9	Confident	91.5	Very high	64 Å²	64	56 Å²	56	66%	0.66	32%	0.318	S	S	*	.	S	Bend	trans	65.5	45.9	173	0	0	0	0	0	114.1	R410	G366-R410 PolarHBondContact O-NH1 3Å
367	C	92.8	Very high	91.2	Very high	29 Å²	29	49.8 Å²	49.8	20%	0.196	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-84.4	127.3	171.9	-176.9	0	0	0	0	110.5	V362 Q401 I579	V362-C367 HydrophobicContact CG1-CB 3.62Å; C367-Q401 PolarHBondContact SG-NE2 3.33Å; C367-Q401 VanDerWaalsContact SG-NE2 3.37Å; C367-I579 HydrophobicContact CB-CD1 4.07Å; C367-I579 HydrophobicContact CB-CG1 4.4Å; C367-I579 HydrophobicContact CB-CG2 3.84Å
368	P	93.8	Very high	90.9	Very high	22 Å²	22	50 Å²	50	14%	0.143	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-57.3	160.9	175	-27.8	37.4	0	0	0	114.2	Y336 Q401 P404	Y336-P368 HydrophobicContact CD1-CB 4.22Å; Y336-P368 HydrophobicContact CD1-CG 4.34Å; Y336-P368 HydrophobicContact CE1-CB 3.89Å; Y336-P368 HydrophobicContact CE1-CG 4.49Å; P368-Q401 PolarHBondContact O-NE2 3.42Å; P368-P404 HydrophobicContact CB-CB 4.07Å
369	K	95.1	Very high	91	Very high	41 Å²	41	46.8 Å²	46.8	18%	0.178	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.2	145.9	173.3	-56.7	-174	-155.5	-178.4	0	110.4	E338 L342 A343 M345 V350	E338-K369 WeakPolarHBondContact OE1-CD 3.46Å; E338-K369 WeakPolarHBondContact OE1-CE 3.44Å; E338-K369 WeakPolarHBondContact OE1-CG 3.21Å; E338-K369 IonicContact OE1-NZ 3.23Å; L342-K369 VanDerWaalsContact O-CD 3.23Å; L342-K369 WeakPolarHBondContact O-CD 3.44Å; L342-K369 WeakPolarHBondContact O-CE 3.37Å; L342-K369 PolarHBondContact O-NZ 3.43Å; A343-K369 PolarHBondContact O-NZ 3.44Å; M345-K369 HydrophobicContact CB-CD 4.45Å; M345-K369 PolarHBondContact O-NZ 3.03Å; V350-K369 HydrophobicContact CG2-CB 4.28Å; V350-K369 HydrophobicContact CG2-CD 3.7Å; V350-K369 HydrophobicContact CG2-CG 3.95Å
370	P	94.9	Very high	91	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-69.2	142.4	178.2	30.5	-36.7	0	0	0	111.4	L342 F353 R354 T400 Q401	L342-P370 WeakPolarHBondContact CD2-O 3.4Å; F353-P370 HydrophobicContact CD1-CB 4.33Å; F353-P370 HydrophobicContact CD1-CG 3.71Å; F353-P370 HydrophobicContact CE1-CB 4.15Å; F353-P370 HydrophobicContact CE1-CG 4.04Å; R354-P370 HydrophobicContact CG-CG 4.24Å; P370-T400 CarbonylContact C-O 3.59Å; P370-T400 WeakPolarHBondContact CA-O 3.46Å; P370-Q401 HydrophobicContact CB-CB 4.32Å
371	I	94.9	Very high	90.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-76.2	152.1	175.9	58.5	170.2	0	0	0	111.6	L342 Q376 C377 P395 T400 P404	L342-I371 HydrophobicContact CD1-CG2 4.05Å; I371-Q376 HydrophobicContact CB-CB 4.15Å; I371-Q376 HydrophobicContact CG2-CB 3.91Å; I371-C377 WeakPolarHBondContact CD1-SG 3.47Å; I371-P395 HydrophobicContact CD1-CB 4.32Å; I371-P395 HydrophobicContact CD1-CG 4.24Å; I371-P395 HydrophobicContact CG1-CG 4.44Å; I371-T400 HydrophobicContact CG1-CG2 4.44Å; I371-T400 WeakPolarHBondContact CG1-O 3.43Å; I371-T400 PolarHBondContact N-O 2.86Å; I371-T400 VanDerWaalsContact O-CB 3.24Å; I371-T400 WeakPolarHBondContact O-CB 3.4Å; I371-T400 WeakPolarHBondContact O-CG2 3.46Å; I371-P404 HydrophobicContact CG2-CB 4.27Å; I371-P404 HydrophobicContact CG2-CG 4.22Å
372	K	91.9	Very high	90.7	Very high	100 Å²	100	55.5 Å²	55.5	44%	0.435	32%	0.321	S	S	.	.	S	Bend	trans	-106.1	-16.5	174.2	-62.8	-170.4	171.4	-178.5	0	113.1	M345 F353	M345-K372 HydrophobicContact CE-CD 4.36Å; F353-K372 HydrophobicContact CD1-CG 4.5Å; F353-K372 HydrophobicContact CE1-CG 3.88Å; F353-K372 HydrophobicContact CE2-CD 4.32Å; F353-K372 HydrophobicContact CE2-CG 4.16Å; F353-K372 HydrophobicContact CZ-CD 4.34Å; F353-K372 HydrophobicContact CZ-CG 3.7Å
373	S	92.7	Very high	90.5	Very high	45 Å²	45	53.7 Å²	53.7	32%	0.315	31%	0.31	S	S	.	.	S	Bend	trans	-152.3	160.1	174.9	71.2	0	0	0	0	113.2	V375 Q376	S373-V375 PolarHBondContact O-N 2.89Å; S373-V375 VanDerWaalsContact O-N 3.16Å; S373-Q376 WeakPolarHBondContact O-CB 3.35Å; S373-Q376 PolarHBondContact O-N 2.93Å
374	W	92.6	Very high	90.5	Very high	17 Å²	17	50.9 Å²	50.9	6%	0.064	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-57.8	-27.1	-179.3	-63.9	120.9	0	0	0	115.3	Q376 C377 L384 L387 Y392 K394 P395 I403 I424 L428	W374-Q376 PolarHBondContact O-N 2.92Å; W374-C377 WeakPolarHBondContact O-CB 3.34Å; W374-C377 PolarHBondContact O-N 3.1Å; W374-C377 PolarHBondContact O-SG 3.21Å; W374-L384 HydrophobicContact CB-CD2 3.81Å; W374-L387 HydrophobicContact CB-CD1 4.36Å; W374-L387 HydrophobicContact CD2-CD1 3.89Å; W374-L387 HydrophobicContact CE3-CD1 3.92Å; W374-L387 HydrophobicContact CG-CD1 4.13Å; W374-L387 HydrophobicContact CH2-CD2 4.47Å; W374-L387 HydrophobicContact CZ2-CD2 4.44Å; W374-L387 HydrophobicContact CZ3-CD1 4.45Å; W374-Y392 PolarHBondContact NE1-O 2.65Å; W374-K394 WeakPolarHBondContact CZ2-O 3.16Å; W374-P395 HydrophobicContact CD2-CB 4.42Å; W374-P395 HydrophobicContact CE3-CB 4.26Å; W374-P395 HydrophobicContact CH2-CB 4.03Å; W374-P395 HydrophobicContact CZ2-CB 4.17Å; W374-P395 HydrophobicContact CZ3-CB 4.05Å; W374-I403 HydrophobicContact CZ3-CD1 3.76Å; W374-I424 HydrophobicContact CH2-CG2 4.08Å; W374-L428 HydrophobicContact CE3-CD1 4.08Å; W374-L428 HydrophobicContact CH2-CD1 4.1Å; W374-L428 HydrophobicContact CZ3-CD1 3.42Å; W374-L428 VanDerWaalsContact CZ3-CD1 3.42Å
375	V	90.3	Very high	90.6	Very high	107 Å²	107	52.7 Å²	52.7	65%	0.648	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27.3	178.9	-173	0	0	0	0	110.9	S373 C377	S373-V375 PolarHBondContact O-N 2.89Å; S373-V375 VanDerWaalsContact O-N 3.16Å; V375-C377 VanDerWaalsContact C-N 3.26Å; V375-C377 PolarHBondContact O-N 2.91Å
376	Q	90.3	Very high	90.7	Very high	14 Å²	14	44 Å²	44	7%	0.065	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-82.2	0.7	-178.8	-55.4	173.7	-28.6	0	0	113	V339 E341 L342 I371 S373 W374	V339-Q376 HydrophobicContact CG1-CB 4.43Å; V339-Q376 HydrophobicContact CG1-CG 4.46Å; V339-Q376 HydrophobicContact CG2-CB 4.18Å; V339-Q376 HydrophobicContact CG2-CG 3.85Å; E341-Q376 PolarHBondContact OE2-NE2 3.44Å; L342-Q376 HydrophobicContact CD1-CB 4.31Å; I371-Q376 HydrophobicContact CB-CB 4.15Å; I371-Q376 HydrophobicContact CG2-CB 3.91Å; S373-Q376 WeakPolarHBondContact O-CB 3.35Å; S373-Q376 PolarHBondContact O-N 2.93Å; W374-Q376 PolarHBondContact O-N 2.92Å
377	C	85.5	Confident	90.9	Very high	1 Å²	1	41 Å²	41	1%	0.007	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-78.1	-14.8	177.6	-56.3	0	0	0	0	114.7	I371 W374 V375 I379 I403	I371-C377 WeakPolarHBondContact CD1-SG 3.47Å; W374-C377 WeakPolarHBondContact O-CB 3.34Å; W374-C377 PolarHBondContact O-N 3.1Å; W374-C377 PolarHBondContact O-SG 3.21Å; V375-C377 VanDerWaalsContact C-N 3.26Å; V375-C377 PolarHBondContact O-N 2.91Å; C377-I379 VanDerWaalsContact C-N 3.33Å; C377-I379 HydrophobicContact CB-CB 4.44Å; C377-I379 HydrophobicContact CB-CD1 4.24Å; C377-I379 HydrophobicContact CB-CG1 4Å; C377-I379 HydrophobicContact CB-CG2 3.86Å; C377-I403 HydrophobicContact CB-CG2 4.06Å
378	G	82.1	Confident	90.8	Very high	44 Å²	44	48 Å²	48	45%	0.454	26%	0.255	S	S	.	.			trans	72.8	20.2	-170.6	0	0	0	0	0	114.9
379	I	85.6	Confident	90.8	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.087	28%	0.284	C	S	.	.			trans	-86.3	155	179.9	58.4	177.9	0	0	0	112.7	C377 I383 L384 L387 M407	C377-I379 VanDerWaalsContact C-N 3.33Å; C377-I379 HydrophobicContact CB-CB 4.44Å; C377-I379 HydrophobicContact CB-CD1 4.24Å; C377-I379 HydrophobicContact CB-CG1 4Å; C377-I379 HydrophobicContact CB-CG2 3.86Å; I379-I383 HydrophobicContact CB-CB 4.36Å; I379-I383 HydrophobicContact CB-CD1 4.38Å; I379-I383 HydrophobicContact CB-CG2 4.36Å; I379-I383 HydrophobicContact CD1-CB 4.47Å; I379-I383 HydrophobicContact CD1-CG2 3.95Å; I379-L384 HydrophobicContact CD1-CD2 3.71Å; I379-L384 HydrophobicContact CD1-CG 4.01Å; I379-L384 HydrophobicContact CG1-CD2 3.99Å; I379-L384 HydrophobicContact CG1-CG 3.95Å; I379-L387 HydrophobicContact CD1-CD1 3.6Å; I379-M407 HydrophobicContact CG2-CE 3.55Å
380	S	87.3	Confident	90.5	Very high	52 Å²	52	56.5 Å²	56.5	36%	0.364	29%	0.291	S	S	.	.			trans	-74	157.1	-178	74.5	0	0	0	0	113.2	K382 I383 L384	S380-K382 PolarHBondContact O-N 3.03Å; S380-I383 WeakPolarHBondContact O-CB 3.18Å; S380-I383 PolarHBondContact O-N 3.29Å; S380-L384 PolarHBondContact O-N 3.35Å
381	M	88.9	Confident	90.2	Very high	126 Å²	126	59.2 Å²	59.2	62%	0.621	32%	0.318	S	S	*	.	H	α-helix	trans	-62.1	-26.5	179.8	-162.6	63.7	-177	0	0	113.2	I383 L384 N385	M381-I383 VanDerWaalsContact C-N 3.33Å; M381-I383 PolarHBondContact O-N 3.42Å; M381-L384 PolarHBondContact O-N 2.94Å; M381-L384 HydrophobicContact SD-CB 4.14Å; M381-L384 HydrophobicContact SD-CD1 3.91Å; M381-N385 WeakPolarHBondContact O-CB 3.42Å; M381-N385 VanDerWaalsContact O-CG 3.27Å; M381-N385 PolarHBondContact O-N 3.26Å; M381-N385 PolarHBondContact O-ND2 2.99Å
382	K	90.9	Very high	90	Very high	108 Å²	108	61.8 Å²	61.8	47%	0.47	33%	0.329	S	S	.	.	H	α-helix	trans	-57.6	-45.2	169.7	-74.7	-176.2	167.3	-162.2	0	111.4	S380 S386 T471 L472	S380-K382 PolarHBondContact O-N 3.03Å; K382-S386 PolarHBondContact O-N 2.93Å; K382-S386 VanDerWaalsContact O-N 3.16Å; K382-T471 HydrophobicContact CB-CG2 4.16Å; K382-T471 WeakPolarHBondContact CD-O 3.41Å; K382-T471 HydrophobicContact CG-CG2 4.43Å; K382-T471 PolarHBondContact NZ-O 3.49Å; K382-L472 HydrophobicContact CB-CD2 4.24Å; K382-L472 HydrophobicContact CD-CD2 4.27Å
383	I	91.3	Very high	89.8	Confident	5 Å²	5	65.3 Å²	65.3	3%	0.026	35%	0.346	C	S	.	.	H	α-helix	trans	-72.4	-44.2	-179.6	-58.1	176	0	0	0	110.3	I379 S380 M381 N385 S386 L387 L428 F431 F468 L472	I379-I383 HydrophobicContact CB-CB 4.36Å; I379-I383 HydrophobicContact CB-CD1 4.38Å; I379-I383 HydrophobicContact CB-CG2 4.36Å; I379-I383 HydrophobicContact CD1-CB 4.47Å; I379-I383 HydrophobicContact CD1-CG2 3.95Å; S380-I383 WeakPolarHBondContact O-CB 3.18Å; S380-I383 PolarHBondContact O-N 3.29Å; M381-I383 VanDerWaalsContact C-N 3.33Å; M381-I383 PolarHBondContact O-N 3.42Å; I383-N385 VanDerWaalsContact C-N 3.32Å; I383-N385 PolarHBondContact O-N 3.01Å; I383-S386 PolarHBondContact O-N 3.16Å; I383-S386 VanDerWaalsContact O-N 3.08Å; I383-L387 HydrophobicContact CG2-CD1 4.33Å; I383-L387 HydrophobicContact CG2-CG 4.5Å; I383-L387 PolarHBondContact O-N 3.23Å; I383-L428 HydrophobicContact CG2-CD2 3.45Å; I383-L428 VanDerWaalsContact CG2-CD2 3.45Å; I383-F431 HydrophobicContact CD1-CB 4Å; I383-F468 HydrophobicContact CG2-CD1 4.4Å; I383-L472 HydrophobicContact CD1-CD1 4.41Å; I383-L472 HydrophobicContact CD1-CD2 4.34Å; I383-L472 HydrophobicContact CG1-CD1 4.37Å; I383-L472 HydrophobicContact CG1-CD2 3.93Å
384	L	91.7	Very high	89.7	Confident	35 Å²	35	70.8 Å²	70.8	18%	0.183	37%	0.365	C	S	.	.	H	α-helix	trans	-57.8	-42.3	175.5	-72.1	166.3	0	0	0	112.5	W374 I379 S380 M381 S386 L387 K388	W374-L384 HydrophobicContact CB-CD2 3.81Å; I379-L384 HydrophobicContact CD1-CD2 3.71Å; I379-L384 HydrophobicContact CD1-CG 4.01Å; I379-L384 HydrophobicContact CG1-CD2 3.99Å; I379-L384 HydrophobicContact CG1-CG 3.95Å; S380-L384 PolarHBondContact O-N 3.35Å; M381-L384 PolarHBondContact O-N 2.94Å; M381-L384 HydrophobicContact SD-CB 4.14Å; M381-L384 HydrophobicContact SD-CD1 3.91Å; L384-S386 VanDerWaalsContact C-N 3.35Å; L384-L387 PolarHBondContact O-N 3.41Å; L384-K388 PolarHBondContact O-N 3.45Å
385	N	91.9	Very high	89.7	Confident	90 Å²	90	70.5 Å²	70.5	48%	0.481	37%	0.365	S	S	.	.	H	α-helix	trans	-65.2	-37	175.1	-75.5	-21.6	0	0	0	112.2	M381 I383 K389	M381-N385 WeakPolarHBondContact O-CB 3.42Å; M381-N385 VanDerWaalsContact O-CG 3.27Å; M381-N385 PolarHBondContact O-N 3.26Å; M381-N385 PolarHBondContact O-ND2 2.99Å; I383-N385 VanDerWaalsContact C-N 3.32Å; I383-N385 PolarHBondContact O-N 3.01Å; N385-K389 VanDerWaalsContact O-CB 3.3Å; N385-K389 WeakPolarHBondContact O-CB 3.43Å; N385-K389 PolarHBondContact O-N 2.97Å
386	S	91.6	Very high	89.9	Confident	6 Å²	6	67.5 Å²	67.5	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-70.2	-39.4	174.6	-167	0	0	0	0	112.5	K382 I383 L384 K388 K389 H390 K467	K382-S386 PolarHBondContact O-N 2.93Å; K382-S386 VanDerWaalsContact O-N 3.16Å; I383-S386 PolarHBondContact O-N 3.16Å; I383-S386 VanDerWaalsContact O-N 3.08Å; L384-S386 VanDerWaalsContact C-N 3.35Å; S386-K388 PolarHBondContact O-N 3.39Å; S386-K389 PolarHBondContact O-N 3.02Å; S386-H390 PolarHBondContact O-N 3.34Å; S386-H390 PolarHBondContact O-ND1 3.07Å; S386-H390 PolarHBondContact OG-CE1 3.35Å; S386-H390 VanDerWaalsContact OG-CE1 3.28Å; S386-H390 PolarHBondContact OG-ND1 3.39Å; S386-K467 PolarHBondContact OG-O 2.93Å
387	L	92.3	Very high	90	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-57.7	-48.5	172.8	-75	170	0	0	0	110.9	W374 I379 I383 L384 H390 G391 Y392 L428 F468	W374-L387 HydrophobicContact CB-CD1 4.36Å; W374-L387 HydrophobicContact CD2-CD1 3.89Å; W374-L387 HydrophobicContact CE3-CD1 3.92Å; W374-L387 HydrophobicContact CG-CD1 4.13Å; W374-L387 HydrophobicContact CH2-CD2 4.47Å; W374-L387 HydrophobicContact CZ2-CD2 4.44Å; W374-L387 HydrophobicContact CZ3-CD1 4.45Å; I379-L387 HydrophobicContact CD1-CD1 3.6Å; I383-L387 HydrophobicContact CG2-CD1 4.33Å; I383-L387 HydrophobicContact CG2-CG 4.5Å; I383-L387 PolarHBondContact O-N 3.23Å; L384-L387 PolarHBondContact O-N 3.41Å; L387-H390 PolarHBondContact O-N 3.15Å; L387-G391 PolarHBondContact O-N 3.38Å; L387-Y392 HydrophobicContact CD2-CD2 3.77Å; L387-Y392 HydrophobicContact CD2-CE2 4.49Å; L387-Y392 HydrophobicContact CD2-CG 3.88Å; L387-Y392 WeakPolarHBondContact O-CD2 3.12Å; L387-Y392 PolarHBondContact O-N 2.9Å; L387-L428 HydrophobicContact CD1-CD1 4.28Å; L387-L428 HydrophobicContact CD1-CD2 4.37Å; L387-L428 HydrophobicContact CD2-CD1 4.25Å; L387-L428 HydrophobicContact CD2-CD2 4.29Å; L387-F468 HydrophobicContact CD2-CE1 3.91Å; L387-F468 HydrophobicContact CD2-CZ 3.97Å; L387-F468 HydrophobicContact CG-CE1 4.06Å
388	K	91.6	Very high	90.4	Very high	176 Å²	176	67.9 Å²	67.9	77%	0.765	35%	0.351	S	S	*	.	H	α-helix	trans	-62.9	-41.8	176.1	-172.4	175.3	-179	178.3	0	112.6	L384 S386 H390 G391	L384-K388 PolarHBondContact O-N 3.45Å; S386-K388 PolarHBondContact O-N 3.39Å; K388-H390 VanDerWaalsContact C-N 3.26Å; K388-H390 PolarHBondContact O-N 3.45Å; K388-G391 PolarHBondContact O-N 3.31Å
389	K	92.5	Very high	91.1	Very high	172 Å²	172	66 Å²	66	75%	0.748	33%	0.33	S	S	*	.	H	α-helix	trans	-60.6	-34	177.8	179.2	179.4	175.8	-176.1	0	112.7	N385 S386	N385-K389 VanDerWaalsContact O-CB 3.3Å; N385-K389 WeakPolarHBondContact O-CB 3.43Å; N385-K389 PolarHBondContact O-N 2.97Å; S386-K389 PolarHBondContact O-N 3.02Å
390	H	88.9	Confident	91.5	Very high	70 Å²	70	65.2 Å²	65.2	32%	0.324	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9	-178	-62.3	105.3	0	0	0	114	S386 L387 K388 Y392	S386-H390 PolarHBondContact O-N 3.34Å; S386-H390 PolarHBondContact O-ND1 3.07Å; S386-H390 PolarHBondContact OG-CE1 3.35Å; S386-H390 VanDerWaalsContact OG-CE1 3.28Å; S386-H390 PolarHBondContact OG-ND1 3.39Å; L387-H390 PolarHBondContact O-N 3.15Å; K388-H390 VanDerWaalsContact C-N 3.26Å; K388-H390 PolarHBondContact O-N 3.45Å; H390-Y392 HydrophobicContact CB-CD2 3.79Å; H390-Y392 HydrophobicContact CB-CE2 3.52Å
391	G	89.3	Confident	92	Very high	56 Å²	56	62.8 Å²	62.8	58%	0.577	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	12.7	172.2	0	0	0	0	0	116.2	L387 K388 E393	L387-G391 PolarHBondContact O-N 3.38Å; K388-G391 PolarHBondContact O-N 3.31Å; G391-E393 PolarHBondContact O-N 3.42Å
392	Y	89.9	Confident	92.3	Very high	55 Å²	55	56.8 Å²	56.8	22%	0.216	28%	0.279	C	S	.	.			trans	-78	84.8	178.6	-61	-82.6	0	0	0	111	W374 L387 H390 I424 E464 F468	W374-Y392 PolarHBondContact NE1-O 2.65Å; L387-Y392 HydrophobicContact CD2-CD2 3.77Å; L387-Y392 HydrophobicContact CD2-CE2 4.49Å; L387-Y392 HydrophobicContact CD2-CG 3.88Å; L387-Y392 WeakPolarHBondContact O-CD2 3.12Å; L387-Y392 PolarHBondContact O-N 2.9Å; H390-Y392 HydrophobicContact CB-CD2 3.79Å; H390-Y392 HydrophobicContact CB-CE2 3.52Å; Y392-I424 HydrophobicContact CE1-CD1 4.44Å; Y392-I424 HydrophobicContact CE1-CG1 4Å; Y392-E464 PolarHBondContact OH-OE2 3.23Å; Y392-F468 HydrophobicContact CE2-CZ 4.05Å
393	E	88.4	Confident	92.6	Very high	173 Å²	173	51.6 Å²	51.6	81%	0.808	26%	0.257	S	S	*	.			trans	-66.6	-45.1	-176.8	-61.2	-164.8	162.2	0	0	113.9	G391	G391-E393 PolarHBondContact O-N 3.42Å
394	K	91	Very high	92.8	Very high	161 Å²	161	51.4 Å²	51.4	70%	0.7	26%	0.256	S	S	*	.	S	Bend	trans	-140.9	152.3	-175.9	-65.6	178.6	-175	171.2	0	110.8	W374	W374-K394 WeakPolarHBondContact CZ2-O 3.16Å
395	P	93.4	Very high	93	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.071	25%	0.247	C	C	.	.			trans	-67.2	139.6	170.4	27.6	-34.7	0	0	0	111.9	I371 W374 Q399 T400	I371-P395 HydrophobicContact CD1-CB 4.32Å; I371-P395 HydrophobicContact CD1-CG 4.24Å; I371-P395 HydrophobicContact CG1-CG 4.44Å; W374-P395 HydrophobicContact CD2-CB 4.42Å; W374-P395 HydrophobicContact CE3-CB 4.26Å; W374-P395 HydrophobicContact CH2-CB 4.03Å; W374-P395 HydrophobicContact CZ2-CB 4.17Å; W374-P395 HydrophobicContact CZ3-CB 4.05Å; P395-Q399 HydrophobicContact CB-CB 3.92Å; P395-T400 HydrophobicContact CB-CG2 3.91Å; P395-T400 HydrophobicContact CG-CG2 3.75Å
396	T	92.6	Very high	93.2	Very high	44 Å²	44	45.5 Å²	45.5	27%	0.27	22%	0.224	S	C	.	.			trans	-71.3	163.6	171	69.4	0	0	0	0	111.5	I398 Q399 T400 S420	T396-I398 VanDerWaalsContact C-N 3.33Å; T396-I398 PolarHBondContact O-N 2.86Å; T396-Q399 CarbonylContact O-C 3.56Å; T396-Q399 WeakPolarHBondContact O-CA 3.41Å; T396-Q399 WeakPolarHBondContact O-CB 3.28Å; T396-Q399 PolarHBondContact O-N 2.75Å; T396-Q399 VanDerWaalsContact OG1-CG 3.29Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.35Å; T396-Q399 PolarHBondContact OG1-OE1 2.94Å; T396-T400 PolarHBondContact O-N 2.86Å; T396-S420 WeakPolarHBondContact CB-O 3.22Å; T396-S420 PolarHBondContact OG1-O 3.4Å
397	P	93.4	Very high	93.4	Very high	22 Å²	22	45.3 Å²	45.3	14%	0.143	22%	0.223	C	C	.	.	H	α-helix	trans	-49.5	-45	179.1	-30.3	34.7	0	0	0	115.4	M357 E358 I360 Q399 T400 V583	M357-P397 HydrophobicContact CB-CB 4.31Å; M357-P397 HydrophobicContact CE-CB 4.26Å; M357-P397 HydrophobicContact CE-CG 3.97Å; M357-P397 WeakPolarHBondContact O-CB 3.46Å; E358-P397 HydrophobicContact CB-CB 4.36Å; E358-P397 HydrophobicContact CB-CG 4.14Å; E358-P397 HydrophobicContact CG-CG 3.83Å; I360-P397 HydrophobicContact CD1-CB 4.42Å; I360-P397 VanDerWaalsContact CD1-O 3.31Å; I360-P397 WeakPolarHBondContact CD1-O 3.49Å; P397-Q399 VanDerWaalsContact C-N 3.35Å; P397-Q399 PolarHBondContact O-N 3.39Å; P397-T400 PolarHBondContact O-N 3.12Å; P397-T400 PolarHBondContact O-OG1 3.33Å; P397-V583 HydrophobicContact CB-CG1 3.68Å; P397-V583 HydrophobicContact CB-CG2 4.31Å
398	I	94.4	Very high	93.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-37.7	177.8	-174	59.9	0	0	0	111.3	T396 T400 A402 A416 S420 F559 V581 V583	T396-I398 VanDerWaalsContact C-N 3.33Å; T396-I398 PolarHBondContact O-N 2.86Å; I398-T400 PolarHBondContact O-N 3.38Å; I398-A402 HydrophobicContact CD1-CB 4.3Å; I398-A402 HydrophobicContact CG1-CB 4.45Å; I398-A402 WeakPolarHBondContact O-CB 3.48Å; I398-A402 PolarHBondContact O-N 2.9Å; I398-A416 HydrophobicContact CB-CB 3.8Å; I398-A416 HydrophobicContact CD1-CB 4.13Å; I398-A416 HydrophobicContact CG1-CB 3.87Å; I398-A416 HydrophobicContact CG2-CB 4.22Å; I398-S420 VanDerWaalsContact CG2-O 3.23Å; I398-S420 WeakPolarHBondContact CG2-O 3.44Å; I398-F559 HydrophobicContact CD1-CE1 4.13Å; I398-F559 HydrophobicContact CG1-CE1 3.81Å; I398-V581 HydrophobicContact CD1-CG1 3.91Å; I398-V583 HydrophobicContact CB-CG2 3.93Å; I398-V583 HydrophobicContact CD1-CG2 3.96Å
399	Q	95.6	Very high	93.6	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-65.4	-36.5	176	-67.5	162.3	4.3	0	0	112	P395 T396 P397 Q401 I403 G421 A425	P395-Q399 HydrophobicContact CB-CB 3.92Å; T396-Q399 CarbonylContact O-C 3.56Å; T396-Q399 WeakPolarHBondContact O-CA 3.41Å; T396-Q399 WeakPolarHBondContact O-CB 3.28Å; T396-Q399 PolarHBondContact O-N 2.75Å; T396-Q399 VanDerWaalsContact OG1-CG 3.29Å; T396-Q399 WeakPolarHBondContact OG1-CG 3.35Å; T396-Q399 PolarHBondContact OG1-OE1 2.94Å; P397-Q399 VanDerWaalsContact C-N 3.35Å; P397-Q399 PolarHBondContact O-N 3.39Å; Q399-Q401 VanDerWaalsContact C-N 3.31Å; Q399-Q401 PolarHBondContact O-N 2.96Å; Q399-I403 HydrophobicContact CB-CD1 3.83Å; Q399-I403 HydrophobicContact CB-CG1 4.42Å; Q399-I403 HydrophobicContact CG-CD1 4.31Å; Q399-I403 VanDerWaalsContact O-CB 3.32Å; Q399-I403 WeakPolarHBondContact O-CB 3.28Å; Q399-I403 VanDerWaalsContact O-CG1 3.3Å; Q399-I403 WeakPolarHBondContact O-CG1 3.35Å; Q399-I403 PolarHBondContact O-N 3.3Å; Q399-G421 PolarHBondContact NE2-O 3.26Å; Q399-A425 HydrophobicContact CG-CB 3.84Å
400	T	95.3	Very high	93.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-34.7	-178.4	61.5	0	0	0	0	113.3	M357 I360 P370 I371 P395 T396 P397 I398 P404	M357-T400 HydrophobicContact CE-CG2 3.67Å; I360-T400 WeakPolarHBondContact CD1-OG1 3.43Å; P370-T400 CarbonylContact C-O 3.59Å; P370-T400 WeakPolarHBondContact CA-O 3.46Å; I371-T400 HydrophobicContact CG1-CG2 4.44Å; I371-T400 WeakPolarHBondContact CG1-O 3.43Å; I371-T400 PolarHBondContact N-O 2.86Å; I371-T400 VanDerWaalsContact O-CB 3.24Å; I371-T400 WeakPolarHBondContact O-CB 3.4Å; I371-T400 WeakPolarHBondContact O-CG2 3.46Å; P395-T400 HydrophobicContact CB-CG2 3.91Å; P395-T400 HydrophobicContact CG-CG2 3.75Å; T396-T400 PolarHBondContact O-N 2.86Å; P397-T400 PolarHBondContact O-N 3.12Å; P397-T400 PolarHBondContact O-OG1 3.33Å; I398-T400 PolarHBondContact O-N 3.38Å; T400-P404 VanDerWaalsContact O-CD 3.29Å; T400-P404 WeakPolarHBondContact O-CD 3.41Å; T400-P404 VanDerWaalsContact O-CG 3.3Å; T400-P404 WeakPolarHBondContact O-CG 3.4Å
401	Q	96.1	Very high	94.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-101.3	-31.9	-178.6	-173.6	60.8	96.1	0	0	113.5	R354 I360 V362 C367 P368 P370 Q399 A405 V581	R354-Q401 VanDerWaalsContact CZ-OE1 3.27Å; I360-Q401 HydrophobicContact CD1-CB 4.1Å; I360-Q401 HydrophobicContact CG2-CB 3.94Å; I360-Q401 HydrophobicContact CG2-CG 3.97Å; V362-Q401 HydrophobicContact CG2-CG 3.82Å; C367-Q401 PolarHBondContact SG-NE2 3.33Å; C367-Q401 VanDerWaalsContact SG-NE2 3.37Å; P368-Q401 PolarHBondContact O-NE2 3.42Å; P370-Q401 HydrophobicContact CB-CB 4.32Å; Q399-Q401 VanDerWaalsContact C-N 3.31Å; Q399-Q401 PolarHBondContact O-N 2.96Å; Q401-A405 WeakPolarHBondContact O-CB 3.31Å; Q401-V581 HydrophobicContact CB-CG1 3.8Å; Q401-V581 HydrophobicContact CG-CB 4.43Å; Q401-V581 HydrophobicContact CG-CG1 3.65Å; Q401-V581 HydrophobicContact CG-CG2 3.83Å
402	A	96.8	Very high	94.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.1	-44.8	179.5	0	0	0	0	0	113.1	I398 A405 I406 L412 A425 F559	I398-A402 HydrophobicContact CD1-CB 4.3Å; I398-A402 HydrophobicContact CG1-CB 4.45Å; I398-A402 WeakPolarHBondContact O-CB 3.48Å; I398-A402 PolarHBondContact O-N 2.9Å; A402-A405 PolarHBondContact O-N 3.29Å; A402-I406 HydrophobicContact CB-CD1 4.47Å; A402-I406 WeakPolarHBondContact O-CG1 3.26Å; A402-I406 PolarHBondContact O-N 3.19Å; A402-L412 HydrophobicContact CB-CD2 3.65Å; A402-A425 HydrophobicContact CB-CB 4.23Å; A402-F559 HydrophobicContact CB-CE1 4.44Å; A402-F559 HydrophobicContact CB-CZ 3.97Å
403	I	96.4	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-56.6	-52.6	-177.5	-66.4	173.6	0	0	0	112.3	W374 C377 Q399 A405 I406 M407 A425 L428 P429	W374-I403 HydrophobicContact CZ3-CD1 3.76Å; C377-I403 HydrophobicContact CB-CG2 4.06Å; Q399-I403 HydrophobicContact CB-CD1 3.83Å; Q399-I403 HydrophobicContact CB-CG1 4.42Å; Q399-I403 HydrophobicContact CG-CD1 4.31Å; Q399-I403 VanDerWaalsContact O-CB 3.32Å; Q399-I403 WeakPolarHBondContact O-CB 3.28Å; Q399-I403 VanDerWaalsContact O-CG1 3.3Å; Q399-I403 WeakPolarHBondContact O-CG1 3.35Å; Q399-I403 PolarHBondContact O-N 3.3Å; I403-A405 VanDerWaalsContact C-N 3.3Å; I403-A405 PolarHBondContact O-N 3.43Å; I403-I406 PolarHBondContact O-N 2.86Å; I403-M407 HydrophobicContact CG2-CE 4.4Å; I403-M407 HydrophobicContact CG2-CG 4.16Å; I403-M407 WeakPolarHBondContact O-CB 3.39Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 2.81Å; I403-A425 HydrophobicContact CG1-CB 4.41Å; I403-L428 HydrophobicContact CD1-CD1 3.96Å; I403-P429 HydrophobicContact CG2-CG 4.37Å
404	P	95.6	Very high	95.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.5	-32.3	179.4	28.1	-36.5	0	0	0	112.5	Y336 P368 I371 T400 S408	Y336-P404 HydrophobicContact CD2-CB 3.94Å; Y336-P404 HydrophobicContact CE1-CB 4.32Å; Y336-P404 HydrophobicContact CE2-CB 3.47Å; Y336-P404 VanDerWaalsContact CE2-CB 3.47Å; P368-P404 HydrophobicContact CB-CB 4.07Å; I371-P404 HydrophobicContact CG2-CB 4.27Å; I371-P404 HydrophobicContact CG2-CG 4.22Å; T400-P404 VanDerWaalsContact O-CD 3.29Å; T400-P404 WeakPolarHBondContact O-CD 3.41Å; T400-P404 VanDerWaalsContact O-CG 3.3Å; T400-P404 WeakPolarHBondContact O-CG 3.4Å; P404-S408 PolarHBondContact O-N 3.11Å; P404-S408 VanDerWaalsContact O-N 3.07Å
405	A	96.1	Very high	95.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65	-47	175.3	0	0	0	0	0	112.1	Q401 A402 I403 S408 L412 I579	Q401-A405 WeakPolarHBondContact O-CB 3.31Å; A402-A405 PolarHBondContact O-N 3.29Å; I403-A405 VanDerWaalsContact C-N 3.3Å; I403-A405 PolarHBondContact O-N 3.43Å; A405-S408 WeakPolarHBondContact O-CB 3.24Å; A405-S408 PolarHBondContact O-N 3.34Å; A405-S408 PolarHBondContact O-OG 2.68Å; A405-L412 HydrophobicContact CB-CD1 3.74Å; A405-I579 HydrophobicContact CB-CD1 4.03Å
406	I	96.7	Very high	94.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-65.9	-44.9	175.9	-59.3	162.9	0	0	0	110.5	A402 I403 S408 G409 L412 A425 P429 Y525 Q555 V557 F559	A402-I406 HydrophobicContact CB-CD1 4.47Å; A402-I406 WeakPolarHBondContact O-CG1 3.26Å; A402-I406 PolarHBondContact O-N 3.19Å; I403-I406 PolarHBondContact O-N 2.86Å; I406-S408 PolarHBondContact O-N 3.3Å; I406-S408 VanDerWaalsContact O-N 3.08Å; I406-G409 PolarHBondContact O-N 2.78Å; I406-L412 HydrophobicContact CD1-CD2 3.8Å; I406-L412 HydrophobicContact CG1-CB 4.06Å; I406-L412 HydrophobicContact CG1-CD2 3.8Å; I406-L412 HydrophobicContact CG1-CG 4.35Å; I406-A425 WeakPolarHBondContact CD1-O 3.36Å; I406-P429 HydrophobicContact CB-CB 3.95Å; I406-P429 HydrophobicContact CB-CG 3.83Å; I406-P429 HydrophobicContact CD1-CG 4.15Å; I406-P429 HydrophobicContact CG2-CB 3.4Å; I406-P429 HydrophobicContact CG2-CG 3.79Å; I406-Y525 HydrophobicContact CG2-CE2 3.68Å; I406-Y525 WeakPolarHBondContact CG2-OH 3.38Å; I406-Q555 PolarHBondContact O-NE2 3.09Å; I406-V557 HydrophobicContact CD1-CG1 3.9Å; I406-V557 HydrophobicContact CD1-CG2 4.43Å; I406-V557 HydrophobicContact CG1-CG1 4.36Å; I406-V557 HydrophobicContact CG1-CG2 4.15Å; I406-V557 HydrophobicContact CG2-CG2 4.02Å; I406-F559 HydrophobicContact CD1-CE2 4.2Å; I406-F559 HydrophobicContact CD1-CZ 4.37Å
407	M	95.3	Very high	94.4	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-58.8	-22.9	176.6	-70.9	-73.1	-165.6	0	0	113	F335 Y336 I379 I403 G409 P429 R432	F335-M407 PolarHBondContact N-O 2.7Å; Y336-M407 HydrophobicContact CD2-CB 4.1Å; Y336-M407 HydrophobicContact CG-CB 4.38Å; Y336-M407 PolarHBondContact N-O 3Å; I379-M407 HydrophobicContact CG2-CE 3.55Å; I403-M407 HydrophobicContact CG2-CE 4.4Å; I403-M407 HydrophobicContact CG2-CG 4.16Å; I403-M407 WeakPolarHBondContact O-CB 3.39Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 2.81Å; M407-G409 PolarHBondContact O-N 3.2Å; M407-P429 HydrophobicContact CE-CB 4.21Å; M407-P429 HydrophobicContact CE-CG 4.32Å; M407-P429 HydrophobicContact CG-CB 4.27Å; M407-P429 HydrophobicContact CG-CG 4.31Å; M407-P429 HydrophobicContact SD-CB 4.04Å; M407-R432 HydrophobicContact CE-CB 3.78Å; M407-R432 HydrophobicContact CE-CG 4.2Å; M407-R432 HydrophobicContact SD-CB 3.83Å; M407-R432 HydrophobicContact SD-CG 3.85Å
408	S	94.5	Very high	93.8	Very high	20 Å²	20	8.8 Å²	8.8	14%	0.14	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	0.1	174.5	78.3	0	0	0	0	114.3	N334 P404 A405 I406 R410	N334-S408 WeakPolarHBondContact CB-O 3.48Å; N334-S408 WeakPolarHBondContact OD1-CA 3.26Å; P404-S408 PolarHBondContact O-N 3.11Å; P404-S408 VanDerWaalsContact O-N 3.07Å; A405-S408 WeakPolarHBondContact O-CB 3.24Å; A405-S408 PolarHBondContact O-N 3.34Å; A405-S408 PolarHBondContact O-OG 2.68Å; I406-S408 PolarHBondContact O-N 3.3Å; I406-S408 VanDerWaalsContact O-N 3.08Å; S408-R410 WeakPolarHBondContact OG-CG 3.28Å
409	G	93.7	Very high	93	Very high	11 Å²	11	10.9 Å²	10.9	11%	0.113	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	22.2	179.6	0	0	0	0	0	114.3	K333 I406 M407	K333-G409 WeakPolarHBondContact O-CA 3.36Å; K333-G409 PolarHBondContact O-N 2.77Å; I406-G409 PolarHBondContact O-N 2.78Å; M407-G409 PolarHBondContact O-N 3.2Å
410	R	94.9	Very high	92.4	Very high	64 Å²	64	11.2 Å²	11.2	24%	0.242	7%	0.07	C	C	.	.			trans	-104.4	142.9	-177.2	-68.6	-69.8	-61.4	-71.7	-0.5	111.4	K365 G366 S408 Q555 K577 I579	K365-R410 PolarHBondContact O-NH1 3.05Å; K365-R410 PolarHBondContact O-NH2 2.95Å; G366-R410 PolarHBondContact O-NH1 3Å; S408-R410 WeakPolarHBondContact OG-CG 3.28Å; R410-Q555 PolarHBondContact O-NE2 3.38Å; R410-K577 PolarHBondContact NH2-O 3.39Å; R410-I579 HydrophobicContact CB-CD1 3.81Å; R410-I579 HydrophobicContact CB-CG1 4.43Å; R410-I579 HydrophobicContact CG-CD1 4.04Å
411	D	97.2	Very high	92	Very high	7 Å²	7	12.4 Å²	12.4	4%	0.037	8%	0.082	C	C	.	.			trans	-63.5	145.3	169.1	-77.2	17	0	0	0	110.7	Q555 T556 L575 S576 P578 I579	D411-Q555 WeakPolarHBondContact OD1-CA 3.04Å; D411-T556 WeakPolarHBondContact CA-O 3.46Å; D411-T556 WeakPolarHBondContact CB-O 3.23Å; D411-T556 PolarHBondContact OD1-N 2.87Å; D411-L575 HydrophobicContact CB-CB 4.35Å; D411-L575 HydrophobicContact CB-CD2 3.79Å; D411-L575 WeakPolarHBondContact OD2-CA 3.23Å; D411-S576 PolarHBondContact OD2-N 3.08Å; D411-P578 HydrophobicContact CB-CB 4.1Å; D411-P578 CarbonylContact O-C 3.47Å; D411-P578 VanDerWaalsContact O-CA 3.26Å; D411-P578 WeakPolarHBondContact O-CA 3.45Å; D411-I579 PolarHBondContact O-N 2.92Å
412	L	96.7	Very high	91.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142	-172.2	-168	88.3	0	0	0	112	A402 A405 I406 T556 V557 M558 F559 I579 V581	A402-L412 HydrophobicContact CB-CD2 3.65Å; A405-L412 HydrophobicContact CB-CD1 3.74Å; I406-L412 HydrophobicContact CD1-CD2 3.8Å; I406-L412 HydrophobicContact CG1-CB 4.06Å; I406-L412 HydrophobicContact CG1-CD2 3.8Å; I406-L412 HydrophobicContact CG1-CG 4.35Å; L412-T556 PolarHBondContact N-O 3.5Å; L412-V557 HydrophobicContact CB-CG1 4.36Å; L412-V557 HydrophobicContact CB-CG2 4.49Å; L412-M558 PolarHBondContact O-N 2.78Å; L412-F559 HydrophobicContact CD2-CE1 4.38Å; L412-F559 HydrophobicContact CD2-CE2 4Å; L412-F559 HydrophobicContact CD2-CZ 3.67Å; L412-I579 CarbonylContact C-O 3.46Å; L412-I579 WeakPolarHBondContact CA-O 3.4Å; L412-I579 HydrophobicContact CD1-CB 4.22Å; L412-I579 HydrophobicContact CD1-CG2 4.34Å; L412-V581 HydrophobicContact CD1-CG2 3.81Å
413	I	96	Very high	91.7	Very high	14 Å²	14	14.8 Å²	14.8	7%	0.072	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.6	159.3	-56.8	178.1	0	0	0	107.6	I415 M558 F563 A571 L575 P578 I579 E580 V581	I413-I415 HydrophobicContact CG2-CD1 4.26Å; I413-I415 HydrophobicContact CG2-CG1 4.06Å; I413-M558 CarbonylContact C-O 3.34Å; I413-M558 WeakPolarHBondContact CA-O 3.2Å; I413-M558 HydrophobicContact CD1-CE 4.18Å; I413-M558 HydrophobicContact CG1-CE 4.02Å; I413-M558 HydrophobicContact CG2-CE 4.03Å; I413-F563 HydrophobicContact CD1-CE2 4.34Å; I413-F563 HydrophobicContact CD1-CZ 4.02Å; I413-F563 HydrophobicContact CG2-CD2 4.12Å; I413-F563 HydrophobicContact CG2-CE2 3.6Å; I413-F563 HydrophobicContact CG2-CZ 4.06Å; I413-A571 HydrophobicContact CD1-CB 4.03Å; I413-L575 HydrophobicContact CD1-CD1 3.93Å; I413-L575 HydrophobicContact CG1-CD1 3.63Å; I413-P578 HydrophobicContact CD1-CG 4.16Å; I413-P578 HydrophobicContact CG1-CB 4.23Å; I413-P578 HydrophobicContact CG1-CG 4.42Å; I413-I579 PolarHBondContact N-O 3.32Å; I413-E580 HydrophobicContact CB-CG 4.14Å; I413-E580 HydrophobicContact CG2-CG 4.2Å; I413-E580 WeakPolarHBondContact O-CA 3.32Å; I413-V581 PolarHBondContact O-N 3.03Å
414	G	94.7	Very high	91.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.7	179.4	0	0	0	0	0	112.4	M558 F559 S560 V581	G414-M558 PolarHBondContact N-O 2.82Å; G414-F559 WeakPolarHBondContact O-CA 3.46Å; G414-F559 WeakPolarHBondContact O-CD1 3.42Å; G414-S560 PolarHBondContact O-N 3.15Å; G414-S560 VanDerWaalsContact O-N 3.1Å; G414-V581 WeakPolarHBondContact CA-O 3.47Å
415	I	92.7	Very high	91.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.5	-179.5	-54.1	163.3	0	0	0	108.1	I413 F563 E580 V581 Q582 V583	I413-I415 HydrophobicContact CG2-CD1 4.26Å; I413-I415 HydrophobicContact CG2-CG1 4.06Å; I415-F563 HydrophobicContact CD1-CB 3.62Å; I415-F563 HydrophobicContact CD1-CD1 3.8Å; I415-F563 HydrophobicContact CD1-CD2 3.95Å; I415-F563 HydrophobicContact CD1-CG 3.52Å; I415-F563 HydrophobicContact CG1-CB 4.09Å; I415-F563 HydrophobicContact CG1-CD2 4.2Å; I415-F563 HydrophobicContact CG1-CG 4.16Å; I415-F563 HydrophobicContact CG2-CB 4.5Å; I415-E580 HydrophobicContact CD1-CG 4.17Å; I415-E580 WeakPolarHBondContact CD1-OE1 3.44Å; I415-V581 PolarHBondContact N-O 3.38Å; I415-Q582 HydrophobicContact CB-CB 4.16Å; I415-Q582 HydrophobicContact CB-CG 4.16Å; I415-Q582 HydrophobicContact CD1-CB 4.39Å; I415-Q582 HydrophobicContact CG2-CG 4.16Å; I415-Q582 CarbonylContact O-C 3.57Å; I415-Q582 WeakPolarHBondContact O-CA 3.46Å; I415-V583 PolarHBondContact O-N 2.98Å
416	A	89.1	Confident	91.6	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	10%	0.096	C	C	.	.			trans	-157.6	150.5	177	0	0	0	0	0	111.5	I398 S420 K422 S560 A561 V583	I398-A416 HydrophobicContact CB-CB 3.8Å; I398-A416 HydrophobicContact CD1-CB 4.13Å; I398-A416 HydrophobicContact CG1-CB 3.87Å; I398-A416 HydrophobicContact CG2-CB 4.22Å; A416-S420 WeakPolarHBondContact CB-OG 3.47Å; A416-K422 HydrophobicContact CB-CD 4.48Å; A416-K422 HydrophobicContact CB-CG 4.45Å; A416-K422 PolarHBondContact O-NZ 3.13Å; A416-S560 PolarHBondContact N-O 2.96Å; A416-S560 VanDerWaalsContact N-O 3.09Å; A416-A561 VanDerWaalsContact O-CA 3.23Å; A416-A561 WeakPolarHBondContact O-CA 3.45Å; A416-V583 HydrophobicContact CB-CB 4.05Å; A416-V583 HydrophobicContact CB-CG2 4.47Å
417	K	82.1	Confident	91.6	Very high	41 Å²	41	15 Å²	15	18%	0.178	10%	0.096	C	C	.	.			trans	-46.4	159.4	178.3	59.5	-179	176.4	179.2	0	114.3	E358 S420 K422 C590	E358-K417 VanDerWaalsContact OE1-CE 3.29Å; E358-K417 WeakPolarHBondContact OE1-CE 3.5Å; E358-K417 IonicContact OE1-NZ 3.43Å; E358-K417 PolarHBondContact OE1-NZ 3.26Å; E358-K417 WeakPolarHBondContact OE2-CE 3.38Å; E358-K417 IonicContact OE2-NZ 2.82Å; K417-S420 VanDerWaalsContact O-CB 3.32Å; K417-S420 WeakPolarHBondContact O-CB 3.17Å; K417-S420 PolarHBondContact O-N 3.37Å; K417-S420 PolarHBondContact O-OG 3.48Å; K417-K422 PolarHBondContact O-NZ 2.94Å; K417-C590 HydrophobicContact CD-CB 4.18Å
418	T	80.4	Confident	91.5	Very high	15 Å²	15	15 Å²	15	9%	0.092	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	157	169	55.5	0	0	0	0	110.3	S420 A561 G708	T418-S420 PolarHBondContact O-N 3.37Å; T418-A561 HydrophobicContact CG2-CB 4.4Å; T418-G708 VanDerWaalsContact CB-O 3.23Å; T418-G708 WeakPolarHBondContact CB-O 3.3Å; T418-G708 WeakPolarHBondContact OG1-CA 3.32Å; T418-G708 PolarHBondContact OG1-O 3Å
419	G	77	Confident	91.6	Very high	45 Å²	45	14.1 Å²	14.1	46%	0.464	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	-12.9	-177.7	0	0	0	0	0	116.6	G421	G419-G421 PolarHBondContact O-N 2.98Å
420	S	82.6	Confident	91.7	Very high	11 Å²	11	13.6 Å²	13.6	8%	0.077	8%	0.084	C	C	.	.	S	Bend	trans	-64.5	-0.8	-177.7	61.1	0	0	0	0	116.1	T396 I398 A416 K417 T418	T396-S420 WeakPolarHBondContact CB-O 3.22Å; T396-S420 PolarHBondContact OG1-O 3.4Å; I398-S420 VanDerWaalsContact CG2-O 3.23Å; I398-S420 WeakPolarHBondContact CG2-O 3.44Å; A416-S420 WeakPolarHBondContact CB-OG 3.47Å; K417-S420 VanDerWaalsContact O-CB 3.32Å; K417-S420 WeakPolarHBondContact O-CB 3.17Å; K417-S420 PolarHBondContact O-N 3.37Å; K417-S420 PolarHBondContact O-OG 3.48Å; T418-S420 PolarHBondContact O-N 3.37Å
421	G	87.9	Confident	91.7	Very high	25 Å²	25	10.6 Å²	10.6	26%	0.258	7%	0.073	S	C	.	.			trans	82.7	24.1	176.2	0	0	0	0	0	115.5	Q399 G419 T423 I424 A425	Q399-G421 PolarHBondContact NE2-O 3.26Å; G419-G421 PolarHBondContact O-N 2.98Å; G421-T423 PolarHBondContact O-N 3.17Å; G421-I424 PolarHBondContact O-N 2.96Å; G421-A425 PolarHBondContact O-N 3.41Å
422	K	92.1	Very high	91.6	Very high	20 Å²	20	12.9 Å²	12.9	9%	0.087	8%	0.081	C	C	.	.	H	α-helix	trans	-46.1	-44	177.4	-64.8	-166	-73.6	-92.3	0	113.5	A416 K417 I424 A425 F426 F559 S560	A416-K422 HydrophobicContact CB-CD 4.48Å; A416-K422 HydrophobicContact CB-CG 4.45Å; A416-K422 PolarHBondContact O-NZ 3.13Å; K417-K422 PolarHBondContact O-NZ 2.94Å; K422-I424 PolarHBondContact O-N 3.44Å; K422-A425 WeakPolarHBondContact O-CA 3.37Å; K422-A425 WeakPolarHBondContact O-CB 3.32Å; K422-A425 PolarHBondContact O-N 2.7Å; K422-F426 WeakPolarHBondContact O-CD1 3.21Å; K422-F426 PolarHBondContact O-N 3.09Å; K422-F559 HydrophobicContact CB-CD1 3.92Å; K422-F559 HydrophobicContact CB-CE1 4.36Å; K422-F559 HydrophobicContact CB-CG 4.38Å; K422-F559 HydrophobicContact CD-CB 4.2Å; K422-F559 HydrophobicContact CD-CD1 3.74Å; K422-F559 HydrophobicContact CD-CG 4.4Å; K422-F559 HydrophobicContact CG-CD1 3.91Å; K422-F559 HydrophobicContact CG-CE1 4.4Å; K422-S560 WeakPolarHBondContact CD-O 3.26Å; K422-S560 PolarHBondContact NZ-O 3.14Å
423	T	93.8	Very high	91.5	Very high	30 Å²	30	13 Å²	13	18%	0.184	8%	0.081	C	C	.	.	H	α-helix	trans	-54	-46.2	-179.2	-42	0	0	0	0	113.3	G421 A425 F426 L427 I461 E464	G421-T423 PolarHBondContact O-N 3.17Å; T423-A425 VanDerWaalsContact C-N 3.28Å; T423-A425 PolarHBondContact O-N 2.82Å; T423-F426 HydrophobicContact CG2-CE2 4.21Å; T423-F426 HydrophobicContact CG2-CZ 3.91Å; T423-F426 PolarHBondContact O-N 2.77Å; T423-L427 HydrophobicContact CG2-CD1 3.85Å; T423-L427 HydrophobicContact CG2-CG 4.34Å; T423-L427 WeakPolarHBondContact O-CB 3.23Å; T423-L427 VanDerWaalsContact O-CG 3.26Å; T423-L427 WeakPolarHBondContact O-CG 3.38Å; T423-L427 PolarHBondContact O-N 2.85Å; T423-I461 HydrophobicContact CG2-CG1 4.06Å; T423-I461 HydrophobicContact CG2-CG2 4.36Å; T423-E464 HydrophobicContact CG2-CB 4.37Å
424	I	93.9	Very high	91.5	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.036	8%	0.079	C	C	.	.	H	α-helix	trans	-70.8	-26	178.3	-61.2	-61.4	0	0	0	111.6	W374 Y392 G421 K422 L428 F468	W374-I424 HydrophobicContact CH2-CG2 4.08Å; Y392-I424 HydrophobicContact CE1-CD1 4.44Å; Y392-I424 HydrophobicContact CE1-CG1 4Å; G421-I424 PolarHBondContact O-N 2.96Å; K422-I424 PolarHBondContact O-N 3.44Å; I424-L428 HydrophobicContact CG2-CD1 3.46Å; I424-L428 VanDerWaalsContact CG2-CD1 3.46Å; I424-L428 HydrophobicContact CG2-CG 3.82Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 2.7Å; I424-F468 HydrophobicContact CD1-CE2 3.81Å; I424-F468 HydrophobicContact CD1-CZ 4.19Å
425	A	95.6	Very high	91.4	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67.5	-33.8	177.1	0	0	0	0	0	113	Q399 A402 I403 I406 G421 K422 T423 P429 F559	Q399-A425 HydrophobicContact CG-CB 3.84Å; A402-A425 HydrophobicContact CB-CB 4.23Å; I403-A425 HydrophobicContact CG1-CB 4.41Å; I406-A425 WeakPolarHBondContact CD1-O 3.36Å; G421-A425 PolarHBondContact O-N 3.41Å; K422-A425 WeakPolarHBondContact O-CA 3.37Å; K422-A425 WeakPolarHBondContact O-CB 3.32Å; K422-A425 PolarHBondContact O-N 2.7Å; T423-A425 VanDerWaalsContact C-N 3.28Å; T423-A425 PolarHBondContact O-N 2.82Å; A425-P429 WeakPolarHBondContact O-CD 3.39Å; A425-P429 WeakPolarHBondContact O-CG 3.23Å; A425-F559 HydrophobicContact CB-CE1 4.33Å; A425-F559 HydrophobicContact CB-CZ 3.87Å
426	F	96.3	Very high	91.4	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-92	-30.3	172.9	60.3	-107.9	0	0	0	114.6	K422 T423 M430 I450 I461 Y525 V527 D529 V557 F559	K422-F426 WeakPolarHBondContact O-CD1 3.21Å; K422-F426 PolarHBondContact O-N 3.09Å; T423-F426 HydrophobicContact CG2-CE2 4.21Å; T423-F426 HydrophobicContact CG2-CZ 3.91Å; T423-F426 PolarHBondContact O-N 2.77Å; F426-M430 VanDerWaalsContact O-CB 3.31Å; F426-M430 WeakPolarHBondContact O-CB 3.37Å; F426-M430 PolarHBondContact O-N 2.73Å; F426-I450 HydrophobicContact CD2-CD1 4.49Å; F426-I450 HydrophobicContact CE2-CD1 4.07Å; F426-I450 HydrophobicContact CE2-CG1 4.36Å; F426-I450 HydrophobicContact CE2-CG2 4.09Å; F426-I450 HydrophobicContact CZ-CG2 4.33Å; F426-I461 HydrophobicContact CE2-CG2 4.23Å; F426-I461 HydrophobicContact CZ-CD1 4.25Å; F426-I461 HydrophobicContact CZ-CG2 4.47Å; F426-Y525 PolarHBondContact O-OH 3.08Å; F426-V527 HydrophobicContact CB-CG1 4.23Å; F426-V527 HydrophobicContact CB-CG2 4.14Å; F426-V527 HydrophobicContact CD1-CG1 3.88Å; F426-V527 HydrophobicContact CD2-CB 4.46Å; F426-V527 HydrophobicContact CD2-CG1 3.86Å; F426-V527 HydrophobicContact CD2-CG2 4.04Å; F426-V527 HydrophobicContact CE1-CG1 4.03Å; F426-V527 HydrophobicContact CE2-CG1 4.04Å; F426-V527 HydrophobicContact CG-CG1 3.77Å; F426-V527 HydrophobicContact CG-CG2 4.25Å; F426-V527 HydrophobicContact CZ-CG1 4.1Å; F426-D529 HydrophobicContact CE1-CB 3.95Å; F426-D529 VanDerWaalsContact CE1-OD2 3.31Å; F426-D529 WeakPolarHBondContact CE1-OD2 3.38Å; F426-D529 HydrophobicContact CZ-CB 4.07Å; F426-D529 WeakPolarHBondContact CZ-OD2 3.3Å; F426-V557 HydrophobicContact CB-CG1 4.19Å; F426-F559 HydrophobicContact CB-CD2 4.21Å; F426-F559 HydrophobicContact CB-CE2 3.84Å; F426-F559 AromaticContact CD1-CD2 3.6Å; F426-F559 HydrophobicContact CD1-CD2 3.6Å; F426-F559 AromaticContact CD1-CE2 3.92Å; F426-F559 HydrophobicContact CD1-CE2 3.92Å; F426-F559 HydrophobicContact CD1-CG 4.26Å; F426-F559 HydrophobicContact CE1-CD2 4.42Å; F426-F559 HydrophobicContact CG-CD2 4.38Å; F426-F559 HydrophobicContact CG-CE2 4.41Å
427	L	96.3	Very high	91.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-39.7	179.5	-72.4	179.6	0	0	0	112.9	T423 M430 F431 I450 E464 C465	T423-L427 HydrophobicContact CG2-CD1 3.85Å; T423-L427 HydrophobicContact CG2-CG 4.34Å; T423-L427 WeakPolarHBondContact O-CB 3.23Å; T423-L427 VanDerWaalsContact O-CG 3.26Å; T423-L427 WeakPolarHBondContact O-CG 3.38Å; T423-L427 PolarHBondContact O-N 2.85Å; L427-M430 HydrophobicContact CD2-CE 3.44Å; L427-M430 VanDerWaalsContact CD2-CE 3.44Å; L427-M430 HydrophobicContact CD2-SD 4.34Å; L427-M430 WeakPolarHBondContact O-CB 3.49Å; L427-M430 PolarHBondContact O-N 2.9Å; L427-F431 HydrophobicContact CB-CE2 3.88Å; L427-F431 HydrophobicContact CB-CZ 4.18Å; L427-F431 HydrophobicContact CD2-CZ 4.41Å; L427-F431 WeakPolarHBondContact O-CD2 3.4Å; L427-F431 VanDerWaalsContact O-CG 3.31Å; L427-F431 WeakPolarHBondContact O-CG 3.26Å; L427-F431 PolarHBondContact O-N 2.85Å; L427-I450 HydrophobicContact CD2-CD1 3.79Å; L427-E464 HydrophobicContact CD1-CB 4.24Å; L427-C465 HydrophobicContact CD1-CB 4.17Å; L427-C465 HydrophobicContact CD2-CB 4.11Å
428	L	94.8	Very high	92.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-42.9	-176.6	-66.6	174.2	0	0	0	114	W374 I383 L387 I403 I424 F431 R432 F468	W374-L428 HydrophobicContact CE3-CD1 4.08Å; W374-L428 HydrophobicContact CH2-CD1 4.1Å; W374-L428 HydrophobicContact CZ3-CD1 3.42Å; W374-L428 VanDerWaalsContact CZ3-CD1 3.42Å; I383-L428 HydrophobicContact CG2-CD2 3.45Å; I383-L428 VanDerWaalsContact CG2-CD2 3.45Å; L387-L428 HydrophobicContact CD1-CD1 4.28Å; L387-L428 HydrophobicContact CD1-CD2 4.37Å; L387-L428 HydrophobicContact CD2-CD1 4.25Å; L387-L428 HydrophobicContact CD2-CD2 4.29Å; I403-L428 HydrophobicContact CD1-CD1 3.96Å; I424-L428 HydrophobicContact CG2-CD1 3.46Å; I424-L428 VanDerWaalsContact CG2-CD1 3.46Å; I424-L428 HydrophobicContact CG2-CG 3.82Å; I424-L428 WeakPolarHBondContact O-CG 3.36Å; I424-L428 PolarHBondContact O-N 2.7Å; L428-F431 HydrophobicContact CD2-CD2 4.49Å; L428-R432 PolarHBondContact O-N 2.7Å; L428-F468 HydrophobicContact CD2-CE1 4.41Å
429	P	95.6	Very high	92.8	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-42.1	169.2	-21.6	33.6	0	0	0	113	I403 I406 M407 A425 F431 R432 H433	I403-P429 HydrophobicContact CG2-CG 4.37Å; I406-P429 HydrophobicContact CB-CB 3.95Å; I406-P429 HydrophobicContact CB-CG 3.83Å; I406-P429 HydrophobicContact CD1-CG 4.15Å; I406-P429 HydrophobicContact CG2-CB 3.4Å; I406-P429 HydrophobicContact CG2-CG 3.79Å; M407-P429 HydrophobicContact CE-CB 4.21Å; M407-P429 HydrophobicContact CE-CG 4.32Å; M407-P429 HydrophobicContact CG-CB 4.27Å; M407-P429 HydrophobicContact CG-CG 4.31Å; M407-P429 HydrophobicContact SD-CB 4.04Å; A425-P429 WeakPolarHBondContact O-CD 3.39Å; A425-P429 WeakPolarHBondContact O-CG 3.23Å; P429-F431 VanDerWaalsContact C-N 3.3Å; P429-F431 PolarHBondContact O-N 2.92Å; P429-R432 CarbonylContact O-C 3.39Å; P429-R432 WeakPolarHBondContact O-CA 3.3Å; P429-R432 WeakPolarHBondContact O-CB 3.25Å; P429-R432 PolarHBondContact O-N 3.46Å; P429-H433 WeakPolarHBondContact O-CB 3.38Å; P429-H433 PolarHBondContact O-N 3.3Å
430	M	96.6	Very high	93.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.5	-43.4	177.7	-170.3	-174.6	73.8	0	0	112.3	F426 L427 R432 H433 I434 A448 I450 I498 Y525	F426-M430 VanDerWaalsContact O-CB 3.31Å; F426-M430 WeakPolarHBondContact O-CB 3.37Å; F426-M430 PolarHBondContact O-N 2.73Å; L427-M430 HydrophobicContact CD2-CE 3.44Å; L427-M430 VanDerWaalsContact CD2-CE 3.44Å; L427-M430 HydrophobicContact CD2-SD 4.34Å; L427-M430 WeakPolarHBondContact O-CB 3.49Å; L427-M430 PolarHBondContact O-N 2.9Å; M430-R432 PolarHBondContact O-N 3.37Å; M430-H433 WeakPolarHBondContact O-CB 3.34Å; M430-H433 PolarHBondContact O-N 2.88Å; M430-I434 HydrophobicContact CE-CD1 4.47Å; M430-I434 HydrophobicContact CG-CD1 3.84Å; M430-I434 WeakPolarHBondContact O-CD1 3.41Å; M430-I434 VanDerWaalsContact O-CG1 3.31Å; M430-I434 WeakPolarHBondContact O-CG1 3.39Å; M430-I434 PolarHBondContact O-N 3.15Å; M430-A448 HydrophobicContact CG-CB 3.59Å; M430-A448 HydrophobicContact SD-CB 3.53Å; M430-A448 VanDerWaalsContact SD-CB 3.53Å; M430-I450 HydrophobicContact CE-CD1 4.12Å; M430-I450 HydrophobicContact SD-CD1 3.77Å; M430-I450 HydrophobicContact SD-CG1 4.17Å; M430-I498 HydrophobicContact CE-CD1 3.58Å; M430-I498 HydrophobicContact CE-CG1 3.82Å; M430-I498 HydrophobicContact CE-CG2 3.85Å; M430-I498 HydrophobicContact SD-CG1 4.46Å; M430-I498 HydrophobicContact SD-CG2 4.26Å; M430-Y525 HydrophobicContact CB-CD1 3.92Å; M430-Y525 HydrophobicContact CB-CE1 3.47Å; M430-Y525 VanDerWaalsContact CB-CE1 3.47Å; M430-Y525 HydrophobicContact CG-CD1 3.6Å; M430-Y525 HydrophobicContact CG-CE1 3.66Å; M430-Y525 HydrophobicContact CG-CG 4.35Å; M430-Y525 HydrophobicContact SD-CD1 4.22Å; M430-Y525 HydrophobicContact SD-CE1 4.22Å
431	F	95.4	Very high	94	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-37.7	174.7	-62.9	-42.9	0	0	0	112.9	I383 L427 L428 P429 H433 M435 C465 F468 L472 L474 I498	I383-F431 HydrophobicContact CD1-CB 4Å; L427-F431 HydrophobicContact CB-CE2 3.88Å; L427-F431 HydrophobicContact CB-CZ 4.18Å; L427-F431 HydrophobicContact CD2-CZ 4.41Å; L427-F431 WeakPolarHBondContact O-CD2 3.4Å; L427-F431 VanDerWaalsContact O-CG 3.31Å; L427-F431 WeakPolarHBondContact O-CG 3.26Å; L427-F431 PolarHBondContact O-N 2.85Å; L428-F431 HydrophobicContact CD2-CD2 4.49Å; P429-F431 VanDerWaalsContact C-N 3.3Å; P429-F431 PolarHBondContact O-N 2.92Å; F431-H433 VanDerWaalsContact C-N 3.31Å; F431-M435 VanDerWaalsContact O-CB 3.3Å; F431-M435 WeakPolarHBondContact O-CB 3.2Å; F431-M435 WeakPolarHBondContact O-CG 3.32Å; F431-M435 PolarHBondContact O-N 3.25Å; F431-C465 VanDerWaalsContact CE1-SG 3.59Å; F431-F468 HydrophobicContact CD2-CB 4.05Å; F431-F468 HydrophobicContact CD2-CG 4.43Å; F431-F468 HydrophobicContact CE1-CB 4.42Å; F431-F468 HydrophobicContact CE2-CB 3.39Å; F431-F468 AromaticContact CE2-CD2 3.9Å; F431-F468 HydrophobicContact CE2-CD2 3.9Å; F431-F468 AromaticContact CE2-CG 3.69Å; F431-F468 HydrophobicContact CE2-CG 3.69Å; F431-F468 HydrophobicContact CZ-CB 3.62Å; F431-F468 HydrophobicContact CZ-CD2 4.33Å; F431-F468 HydrophobicContact CZ-CG 4.27Å; F431-L472 HydrophobicContact CB-CD1 3.68Å; F431-L472 HydrophobicContact CD1-CD1 3.78Å; F431-L472 HydrophobicContact CD2-CD1 4.3Å; F431-L472 HydrophobicContact CG-CD1 3.66Å; F431-L474 HydrophobicContact CD1-CD1 4.03Å; F431-I498 HydrophobicContact CD1-CD1 4.28Å; F431-I498 HydrophobicContact CE1-CD1 3.9Å
432	R	93.6	Very high	94	Very high	56 Å²	56	40.2 Å²	40.2	21%	0.211	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-35.9	175.6	-179	66	-164.8	86.8	-2.2	111.5	F335 M407 L428 P429 M430 D436	F335-R432 HydrophobicContact CB-CG 3.99Å; F335-R432 HydrophobicContact CD2-CG 4.29Å; F335-R432 HydrophobicContact CG-CG 4.02Å; M407-R432 HydrophobicContact CE-CB 3.78Å; M407-R432 HydrophobicContact CE-CG 4.2Å; M407-R432 HydrophobicContact SD-CB 3.83Å; M407-R432 HydrophobicContact SD-CG 3.85Å; L428-R432 PolarHBondContact O-N 2.7Å; P429-R432 CarbonylContact O-C 3.39Å; P429-R432 WeakPolarHBondContact O-CA 3.3Å; P429-R432 WeakPolarHBondContact O-CB 3.25Å; P429-R432 PolarHBondContact O-N 3.46Å; M430-R432 PolarHBondContact O-N 3.37Å; R432-D436 IonicContact CZ-OD1 2.91Å; R432-D436 IonicContact NH1-OD1 3.88Å; R432-D436 PolarHBondContact NH1-OD1 3.24Å; R432-D436 IonicContact NH2-OD1 2.82Å; R432-D436 PolarHBondContact NH2-OD1 3.29Å
433	H	95.1	Very high	93.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-69.4	-46.6	-179	-177.4	83.1	0	0	0	113.3	F331 F335 P429 M430 F431 D436 Q437 T524	F331-H433 AromaticContact CD2-CE1 3.61Å; F331-H433 AromaticContact CE2-CE1 3.59Å; F335-H433 HydrophobicContact CE2-CB 3.88Å; F335-H433 AromaticContact CE2-ND1 3.43Å; F335-H433 WeakPolarHBondContact CE2-ND1 3.44Å; F335-H433 HydrophobicContact CZ-CB 4.2Å; F335-H433 AromaticContact CZ-ND1 3.54Å; P429-H433 WeakPolarHBondContact O-CB 3.38Å; P429-H433 PolarHBondContact O-N 3.3Å; M430-H433 WeakPolarHBondContact O-CB 3.34Å; M430-H433 PolarHBondContact O-N 2.88Å; F431-H433 VanDerWaalsContact C-N 3.31Å; H433-D436 PolarHBondContact O-N 2.91Å; H433-Q437 PolarHBondContact CD2-NE2 3.21Å; H433-Q437 PolarHBondContact NE2-NE2 2.76Å; H433-T524 WeakPolarHBondContact NE2-CB 3.43Å; H433-T524 PolarHBondContact NE2-OG1 3.21Å
434	I	95.4	Very high	93.5	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-64.7	-43.4	176.3	-65.8	161.6	0	0	0	110.7	M430 D436 Q437 I447 A448 L474 E497 I498	M430-I434 HydrophobicContact CE-CD1 4.47Å; M430-I434 HydrophobicContact CG-CD1 3.84Å; M430-I434 WeakPolarHBondContact O-CD1 3.41Å; M430-I434 VanDerWaalsContact O-CG1 3.31Å; M430-I434 WeakPolarHBondContact O-CG1 3.39Å; M430-I434 PolarHBondContact O-N 3.15Å; I434-D436 PolarHBondContact O-N 2.97Å; I434-D436 VanDerWaalsContact O-N 3.11Å; I434-Q437 PolarHBondContact O-N 3.37Å; I434-Q437 VanDerWaalsContact O-N 3.14Å; I434-I447 HydrophobicContact CB-CG2 4.41Å; I434-I447 HydrophobicContact CG1-CB 4.12Å; I434-I447 HydrophobicContact CG1-CG2 3.73Å; I434-I447 HydrophobicContact CG2-CD1 4.08Å; I434-A448 HydrophobicContact CD1-CB 4.05Å; I434-A448 HydrophobicContact CG1-CB 4.48Å; I434-L474 HydrophobicContact CB-CD1 4.39Å; I434-L474 HydrophobicContact CD1-CD1 4.45Å; I434-L474 HydrophobicContact CG2-CD1 4.02Å; I434-L474 HydrophobicContact CG2-CD2 3.68Å; I434-E497 HydrophobicContact CG2-CB 4.17Å; I434-I498 HydrophobicContact CD1-CD1 3.74Å; I434-I498 HydrophobicContact CD1-CG1 3.39Å
435	M	93.1	Very high	93.4	Very high	93 Å²	93	42.3 Å²	42.3	46%	0.458	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	0.4	-178.5	-67	-68.9	-42.1	0	0	114.7	F431 L472 L474	F431-M435 VanDerWaalsContact O-CB 3.3Å; F431-M435 WeakPolarHBondContact O-CB 3.2Å; F431-M435 WeakPolarHBondContact O-CG 3.32Å; F431-M435 PolarHBondContact O-N 3.25Å; M435-L472 HydrophobicContact SD-CB 4.19Å; M435-L474 HydrophobicContact SD-CD1 4.4Å; M435-L474 HydrophobicContact SD-CD2 4.22Å; M435-L474 HydrophobicContact SD-CG 4.41Å
436	D	93.4	Very high	93.5	Very high	65 Å²	65	42.4 Å²	42.4	35%	0.348	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	1.6	172.8	-134.2	70.4	0	0	0	112.5	R332 F335 R432 H433 I434	R332-D436 VanDerWaalsContact CD-OD2 3.22Å; R332-D436 WeakPolarHBondContact CD-OD2 3.17Å; F335-D436 HydrophobicContact CD1-CB 4.24Å; F335-D436 HydrophobicContact CE1-CB 3.5Å; F335-D436 VanDerWaalsContact CE1-CB 3.5Å; F335-D436 WeakPolarHBondContact CE1-OD2 3.33Å; F335-D436 HydrophobicContact CZ-CB 4.21Å; R432-D436 IonicContact CZ-OD1 2.91Å; R432-D436 IonicContact NH1-OD1 3.88Å; R432-D436 PolarHBondContact NH1-OD1 3.24Å; R432-D436 IonicContact NH2-OD1 2.82Å; R432-D436 PolarHBondContact NH2-OD1 3.29Å; H433-D436 PolarHBondContact O-N 2.91Å; I434-D436 PolarHBondContact O-N 2.97Å; I434-D436 VanDerWaalsContact O-N 3.11Å
437	Q	94.6	Very high	93.5	Very high	41 Å²	41	42.5 Å²	42.5	19%	0.192	23%	0.225	C	C	.	.	S	Bend	trans	-110.6	166	-179.4	-63.7	-179.2	40.9	0	0	111.8	H433 I434 I447 T524	H433-Q437 PolarHBondContact CD2-NE2 3.21Å; H433-Q437 PolarHBondContact NE2-NE2 2.76Å; I434-Q437 PolarHBondContact O-N 3.37Å; I434-Q437 VanDerWaalsContact O-N 3.14Å; Q437-I447 HydrophobicContact CB-CD1 4.46Å; Q437-T524 PolarHBondContact NE2-OG1 3.32Å
438	R	94.1	Very high	93.6	Very high	80 Å²	80	42.5 Å²	42.5	30%	0.302	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-64.2	148.6	168	69.2	176.2	-178.2	77.7	7.6	110.6	E329 E441 E444 R522	E329-R438 IonicContact OE1-CZ 3.35Å; E329-R438 IonicContact OE1-NE 3.8Å; E329-R438 PolarHBondContact OE1-NE 3.09Å; E329-R438 IonicContact OE1-NH2 2.65Å; E329-R438 PolarHBondContact OE1-NH2 3.41Å; E329-R438 IonicContact OE2-CZ 3.9Å; E329-R438 IonicContact OE2-NE 3.28Å; E329-R438 PolarHBondContact OE2-NE 3.33Å; E329-R438 IonicContact OE2-NH2 2.75Å; R438-E441 IonicContact CZ-OE1 3.08Å; R438-E441 IonicContact NH1-OE1 3.66Å; R438-E441 PolarHBondContact NH1-OE1 3.37Å; R438-E441 IonicContact NH1-OE2 3.79Å; R438-E444 IonicContact CZ-OE1 2.68Å; R438-E444 IonicContact CZ-OE2 3.09Å; R438-E444 IonicContact NH1-OE1 2.87Å; R438-E444 PolarHBondContact NH1-OE1 3.46Å; R438-E444 IonicContact NH1-OE2 3.99Å; R438-E444 PolarHBondContact NH1-OE2 2.92Å; R438-E444 IonicContact NH2-OE1 2.7Å; R438-E444 PolarHBondContact NH2-OE1 3.12Å; R438-E444 IonicContact NH2-OE2 3.41Å; R438-R522 VanDerWaalsContact NH1-NH1 3.13Å; R438-R522 PolarHBondContact O-NH2 2.91Å
439	S	92.1	Very high	93.8	Very high	101 Å²	101	42.5 Å²	42.5	71%	0.706	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-52	164.5	171.3	-56.8	0	0	0	0	111.9	R522	S439-R522 PolarHBondContact O-NH1 3.33Å
440	L	92.5	Very high	93.9	Very high	19 Å²	19	42.4 Å²	42.4	10%	0.099	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-77.4	133.2	168.1	-65.1	-176	0	0	0	110.7	E444 G445 I447 A496 E497 R522	L440-E444 HydrophobicContact CB-CB 4.43Å; L440-E444 HydrophobicContact CD2-CB 3.97Å; L440-G445 WeakPolarHBondContact CD2-O 3.29Å; L440-I447 HydrophobicContact CD2-CD1 4.14Å; L440-I447 HydrophobicContact CD2-CG1 3.97Å; L440-A496 WeakPolarHBondContact CD1-O 3.43Å; L440-E497 HydrophobicContact CD1-CG 4.1Å; L440-E497 HydrophobicContact CG-CG 4.17Å; L440-R522 HydrophobicContact CD2-CG 4.4Å
441	E	91.3	Very high	93.8	Very high	126 Å²	126	42.4 Å²	42.4	59%	0.589	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-86.2	173.5	163.5	-72.2	154.3	-138	0	0	110.3	R438 E444	R438-E441 IonicContact CZ-OE1 3.08Å; R438-E441 IonicContact NH1-OE1 3.66Å; R438-E441 PolarHBondContact NH1-OE1 3.37Å; R438-E441 IonicContact NH1-OE2 3.79Å; E441-E444 HydrophobicContact CB-CG 4.15Å; E441-E444 WeakPolarHBondContact CB-OE2 3.28Å; E441-E444 PolarHBondContact N-OE2 2.82Å; E441-E444 WeakPolarHBondContact O-CB 3.44Å; E441-E444 PolarHBondContact O-N 3.42Å
442	E	87.9	Confident	93.7	Very high	196 Å²	196	42.4 Å²	42.4	92%	0.916	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	137.2	-176.8	-168.5	165.7	-175.2	0	0	111.7	E444	E442-E444 PolarHBondContact O-N 2.9Å
443	G	85.4	Confident	93.5	Very high	63 Å²	63	40 Å²	40	65%	0.649	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	-2	-174.2	0	0	0	0	0	115.6	N519	G443-N519 PolarHBondContact O-ND2 3.23Å; G443-N519 VanDerWaalsContact O-ND2 3.13Å
444	E	90.7	Very high	93.1	Very high	38 Å²	38	40.7 Å²	40.7	18%	0.178	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-75.6	143.7	176.4	-68.2	-159.3	95.8	0	0	113.6	R438 L440 E441 E442 R522	R438-E444 IonicContact CZ-OE1 2.68Å; R438-E444 IonicContact CZ-OE2 3.09Å; R438-E444 IonicContact NH1-OE1 2.87Å; R438-E444 PolarHBondContact NH1-OE1 3.46Å; R438-E444 IonicContact NH1-OE2 3.99Å; R438-E444 PolarHBondContact NH1-OE2 2.92Å; R438-E444 IonicContact NH2-OE1 2.7Å; R438-E444 PolarHBondContact NH2-OE1 3.12Å; R438-E444 IonicContact NH2-OE2 3.41Å; L440-E444 HydrophobicContact CB-CB 4.43Å; L440-E444 HydrophobicContact CD2-CB 3.97Å; E441-E444 HydrophobicContact CB-CG 4.15Å; E441-E444 WeakPolarHBondContact CB-OE2 3.28Å; E441-E444 PolarHBondContact N-OE2 2.82Å; E441-E444 WeakPolarHBondContact O-CB 3.44Å; E441-E444 PolarHBondContact O-N 3.42Å; E442-E444 PolarHBondContact O-N 2.9Å; E444-R522 HydrophobicContact CB-CG 4.36Å; E444-R522 WeakPolarHBondContact OE1-CD 3.42Å; E444-R522 WeakPolarHBondContact OE1-CG 3.4Å; E444-R522 IonicContact OE1-CZ 3.75Å; E444-R522 IonicContact OE1-NE 3.38Å; E444-R522 IonicContact OE1-NH1 3.87Å; E444-R522 PolarHBondContact OE1-NH1 3.35Å; E444-R522 IonicContact OE2-NH1 2.82Å; E444-R522 PolarHBondContact OE2-NH1 2.84Å
445	G	92.1	Very high	92.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-72.3	169.3	172.5	0	0	0	0	0	114.1	L440 N519 R522	L440-G445 WeakPolarHBondContact CD2-O 3.29Å; G445-N519 WeakPolarHBondContact CA-O 3.37Å; G445-R522 WeakPolarHBondContact O-CB 3.41Å
446	P	96.5	Very high	92.3	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.013	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-61.9	159.6	176.7	27.5	-37.5	0	0	0	113.7	V449 A496 I499 N519 R522 V523	P446-V449 HydrophobicContact CG-CG2 3.85Å; P446-A496 WeakPolarHBondContact CA-O 3.45Å; P446-A496 VanDerWaalsContact CB-O 3.31Å; P446-A496 WeakPolarHBondContact CB-O 3.34Å; P446-I499 HydrophobicContact CB-CD1 4.33Å; P446-I499 HydrophobicContact CB-CG1 4.05Å; P446-I499 HydrophobicContact CG-CD1 3.66Å; P446-I499 HydrophobicContact CG-CG1 3.91Å; P446-N519 WeakPolarHBondContact CD-O 3.47Å; P446-R522 CarbonylContact O-C 3.58Å; P446-R522 WeakPolarHBondContact O-CB 3.34Å; P446-V523 HydrophobicContact CG-CG2 3.82Å; P446-V523 WeakPolarHBondContact O-CA 3.35Å; P446-V523 WeakPolarHBondContact O-CG2 3.36Å; P446-V523 PolarHBondContact O-N 2.93Å; P446-V523 VanDerWaalsContact O-N 3.12Å
447	I	97.5	Very high	92	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	-88.5	-30.9	171.8	-65.3	166.5	0	0	0	110.3	I434 Q437 L440 E497 V523 T524 Y525	I434-I447 HydrophobicContact CB-CG2 4.41Å; I434-I447 HydrophobicContact CG1-CB 4.12Å; I434-I447 HydrophobicContact CG1-CG2 3.73Å; I434-I447 HydrophobicContact CG2-CD1 4.08Å; Q437-I447 HydrophobicContact CB-CD1 4.46Å; L440-I447 HydrophobicContact CD2-CD1 4.14Å; L440-I447 HydrophobicContact CD2-CG1 3.97Å; I447-E497 PolarHBondContact N-O 3.22Å; I447-V523 WeakPolarHBondContact O-CA 3.33Å; I447-T524 WeakPolarHBondContact CG2-OG1 3.22Å; I447-T524 PolarHBondContact O-N 3.47Å; I447-T524 PolarHBondContact O-OG1 3.46Å; I447-Y525 PolarHBondContact O-N 2.76Å
448	A	97.9	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	140.9	177.3	0	0	0	0	0	113.6	M430 I434 E497 I498 I499 Y525	M430-A448 HydrophobicContact CG-CB 3.59Å; M430-A448 HydrophobicContact SD-CB 3.53Å; M430-A448 VanDerWaalsContact SD-CB 3.53Å; I434-A448 HydrophobicContact CD1-CB 4.05Å; I434-A448 HydrophobicContact CG1-CB 4.48Å; A448-E497 PolarHBondContact N-O 2.94Å; A448-E497 VanDerWaalsContact N-O 3.12Å; A448-I498 WeakPolarHBondContact O-CA 3.25Å; A448-I499 PolarHBondContact O-N 2.83Å; A448-Y525 VanDerWaalsContact CA-O 3.25Å; A448-Y525 WeakPolarHBondContact CA-O 3.41Å; A448-Y525 HydrophobicContact CB-CD1 4.23Å
449	V	97.9	Very high	91.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.8	176	175.9	0	0	0	0	109.5	P446 M451 I499 L520 V523 Y525 V526 V527	P446-V449 HydrophobicContact CG-CG2 3.85Å; V449-M451 HydrophobicContact CG1-CE 4.33Å; V449-M451 HydrophobicContact CG1-CG 4.29Å; V449-I499 WeakPolarHBondContact CA-O 3.48Å; V449-L520 HydrophobicContact CG2-CD2 4.29Å; V449-V523 HydrophobicContact CB-CG1 4.35Å; V449-V523 HydrophobicContact CG2-CG1 3.98Å; V449-V523 HydrophobicContact CG2-CG2 3.66Å; V449-Y525 PolarHBondContact N-O 3.49Å; V449-Y525 VanDerWaalsContact N-O 3.1Å; V449-V526 WeakPolarHBondContact O-CA 3.26Å; V449-V527 PolarHBondContact O-N 3.09Å
450	I	98.1	Very high	91.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	106.8	175.6	-58.4	157.1	0	0	0	108.8	F426 L427 M430 I461 I498 I499 V500 C501 V527	F426-I450 HydrophobicContact CD2-CD1 4.49Å; F426-I450 HydrophobicContact CE2-CD1 4.07Å; F426-I450 HydrophobicContact CE2-CG1 4.36Å; F426-I450 HydrophobicContact CE2-CG2 4.09Å; F426-I450 HydrophobicContact CZ-CG2 4.33Å; L427-I450 HydrophobicContact CD2-CD1 3.79Å; M430-I450 HydrophobicContact CE-CD1 4.12Å; M430-I450 HydrophobicContact SD-CD1 3.77Å; M430-I450 HydrophobicContact SD-CG1 4.17Å; I450-I461 HydrophobicContact CD1-CG2 4.03Å; I450-I461 HydrophobicContact CG2-CD1 4.16Å; I450-I461 HydrophobicContact CG2-CG2 4.15Å; I450-I498 HydrophobicContact CD1-CG2 4.26Å; I450-I499 PolarHBondContact N-O 3.03Å; I450-V500 HydrophobicContact CB-CG1 4.3Å; I450-V500 HydrophobicContact CB-CG2 4.42Å; I450-V500 HydrophobicContact CD1-CG2 4.07Å; I450-V500 HydrophobicContact CG2-CG1 4.33Å; I450-V500 CarbonylContact O-C 3.6Å; I450-V500 WeakPolarHBondContact O-CA 3.21Å; I450-C501 PolarHBondContact O-N 3.49Å; I450-V527 HydrophobicContact CB-CB 4.21Å; I450-V527 HydrophobicContact CG1-CB 3.88Å; I450-V527 HydrophobicContact CG1-CG2 3.96Å; I450-V527 HydrophobicContact CG2-CB 4.04Å; I450-V527 HydrophobicContact CG2-CG1 4.14Å
451	M	95.8	Very high	91.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	143.1	174.4	-74.7	168.4	-90.9	0	0	111.4	V449 C501 V526 V527 L528 D529 M534 V543 I546 V547	V449-M451 HydrophobicContact CG1-CE 4.33Å; V449-M451 HydrophobicContact CG1-CG 4.29Å; M451-C501 WeakPolarHBondContact CA-O 3.3Å; M451-V526 HydrophobicContact CE-CG1 3.62Å; M451-V527 PolarHBondContact N-O 2.89Å; M451-L528 HydrophobicContact CB-CD2 3.83Å; M451-L528 HydrophobicContact CE-CD2 3.62Å; M451-L528 HydrophobicContact CG-CD2 4.47Å; M451-L528 HydrophobicContact SD-CD2 4.01Å; M451-D529 PolarHBondContact O-N 3.12Å; M451-M534 HydrophobicContact CB-CE 4.46Å; M451-M534 HydrophobicContact CB-SD 4.16Å; M451-V543 HydrophobicContact SD-CG1 4.28Å; M451-V543 HydrophobicContact SD-CG2 4.42Å; M451-I546 HydrophobicContact CE-CG2 3.89Å; M451-I546 HydrophobicContact SD-CB 4.07Å; M451-I546 HydrophobicContact SD-CD1 3.82Å; M451-I546 HydrophobicContact SD-CG2 3.79Å; M451-V547 HydrophobicContact CE-CG2 3.93Å
452	T	93.2	Very high	91.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.			trans	-146.8	146.6	-177.3	148.4	0	0	0	0	110.6	T454 L457 A458 I461 V500 C501 P503	T452-T454 PolarHBondContact O-N 3.4Å; T452-T454 PolarHBondContact OG1-N 3Å; T452-T454 PolarHBondContact OG1-O 3.14Å; T452-L457 VanDerWaalsContact OG1-CB 3.31Å; T452-L457 WeakPolarHBondContact OG1-CB 3.33Å; T452-L457 WeakPolarHBondContact OG1-CD2 3.48Å; T452-L457 VanDerWaalsContact OG1-CG 3.32Å; T452-L457 WeakPolarHBondContact OG1-CG 3.33Å; T452-A458 HydrophobicContact CG2-CB 3.68Å; T452-I461 HydrophobicContact CG2-CD1 4.38Å; T452-V500 HydrophobicContact CG2-CG1 4.12Å; T452-C501 VanDerWaalsContact CG2-O 3.3Å; T452-C501 WeakPolarHBondContact CG2-O 3.35Å; T452-C501 PolarHBondContact N-O 3.27Å; T452-P503 WeakPolarHBondContact O-CD 3.33Å
453	P	88.1	Confident	92.2	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.039	11%	0.113	C	C	.	.	S	Bend	trans	-68.5	-25.5	-178.8	28.7	-37.8	0	0	0	114.9	D529 E530 R533 M534	P453-D529 VanDerWaalsContact CD-O 3.32Å; P453-D529 WeakPolarHBondContact CD-O 3.36Å; P453-E530 HydrophobicContact CG-CB 3.87Å; P453-R533 HydrophobicContact CB-CB 3.79Å; P453-R533 HydrophobicContact CB-CG 3.89Å; P453-R533 HydrophobicContact CG-CB 3.92Å; P453-R533 HydrophobicContact CG-CG 4.36Å; P453-M534 HydrophobicContact CB-CG 3.84Å; P453-M534 HydrophobicContact CG-CG 4.39Å
454	T	86.4	Confident	92.5	Very high	15 Å²	15	19.7 Å²	19.7	9%	0.092	9%	0.092	C	C	.	.			trans	-127.6	152.6	-174.4	75.5	0	0	0	0	113.9	T452 E456 L457 A458	T452-T454 PolarHBondContact O-N 3.4Å; T452-T454 PolarHBondContact OG1-N 3Å; T452-T454 PolarHBondContact OG1-O 3.14Å; T454-E456 VanDerWaalsContact C-N 3.34Å; T454-E456 WeakPolarHBondContact CB-OE2 3.37Å; T454-L457 PolarHBondContact O-N 3.2Å; T454-L457 WeakPolarHBondContact OG1-CB 3.48Å; T454-L457 PolarHBondContact OG1-N 3.21Å; T454-A458 PolarHBondContact O-N 3.09Å; T454-A458 VanDerWaalsContact O-N 3.14Å
455	R	87.3	Confident	92.7	Very high	46 Å²	46	17.9 Å²	17.9	17%	0.174	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-43.2	-179.1	-58.7	175.2	-177	179.9	-2	110.3	L457 A458 L459 Y480 G481 T502	R455-L457 PolarHBondContact O-N 2.88Å; R455-A458 WeakPolarHBondContact O-CB 3.24Å; R455-A458 PolarHBondContact O-N 2.56Å; R455-L459 PolarHBondContact O-N 2.97Å; R455-Y480 HydrophobicContact CB-CD2 3.75Å; R455-Y480 HydrophobicContact CB-CG 4.4Å; R455-Y480 HydrophobicContact CG-CD2 4.02Å; R455-G481 VanDerWaalsContact CD-O 3.25Å; R455-G481 WeakPolarHBondContact CD-O 3.33Å; R455-G481 PolarHBondContact NE-O 3.31Å; R455-T502 HydrophobicContact CG-CG2 4.26Å
456	E	85.3	Confident	92.8	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.051	10%	0.099	C	C	.	.	H	α-helix	trans	-62.8	-39.8	179.8	-60.1	74.4	-169.7	0	0	112.1	T454 Q460 R658 I662	T454-E456 VanDerWaalsContact C-N 3.34Å; T454-E456 WeakPolarHBondContact CB-OE2 3.37Å; E456-Q460 WeakPolarHBondContact O-CB 3.26Å; E456-Q460 PolarHBondContact O-N 3.09Å; E456-R658 IonicContact OE1-CZ 3.53Å; E456-R658 IonicContact OE1-NE 2.68Å; E456-R658 PolarHBondContact OE1-NE 3.2Å; E456-R658 IonicContact OE1-NH2 3.51Å; E456-R658 PolarHBondContact OE1-NH2 3.18Å; E456-R658 IonicContact OE2-NH2 3.56Å; E456-I662 HydrophobicContact CG-CD1 3.43Å; E456-I662 VanDerWaalsContact CG-CD1 3.43Å
457	L	87.9	Confident	92.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	11%	0.111	C	C	.	.	H	α-helix	trans	-72.7	-36	176	-178.9	51.1	0	0	0	111.5	T452 T454 R455 Q460 I461 E530	T452-L457 VanDerWaalsContact OG1-CB 3.31Å; T452-L457 WeakPolarHBondContact OG1-CB 3.33Å; T452-L457 WeakPolarHBondContact OG1-CD2 3.48Å; T452-L457 VanDerWaalsContact OG1-CG 3.32Å; T452-L457 WeakPolarHBondContact OG1-CG 3.33Å; T454-L457 PolarHBondContact O-N 3.2Å; T454-L457 WeakPolarHBondContact OG1-CB 3.48Å; T454-L457 PolarHBondContact OG1-N 3.21Å; R455-L457 PolarHBondContact O-N 2.88Å; L457-Q460 PolarHBondContact O-N 3.41Å; L457-I461 HydrophobicContact CD1-CD1 3.76Å; L457-I461 HydrophobicContact CD1-CG1 3.82Å; L457-I461 HydrophobicContact CG-CD1 3.81Å; L457-I461 HydrophobicContact CG-CG1 4.33Å; L457-I461 WeakPolarHBondContact O-CB 3.44Å; L457-I461 WeakPolarHBondContact O-CG1 3.31Å; L457-I461 PolarHBondContact O-N 3.49Å; L457-E530 HydrophobicContact CD2-CB 4.13Å; L457-E530 HydrophobicContact CD2-CG 3.81Å
458	A	92.4	Very high	92.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-46.1	173.7	0	0	0	0	0	111.8	T452 T454 R455 Q460 T462 C478 V500	T452-A458 HydrophobicContact CG2-CB 3.68Å; T454-A458 PolarHBondContact O-N 3.09Å; T454-A458 VanDerWaalsContact O-N 3.14Å; R455-A458 WeakPolarHBondContact O-CB 3.24Å; R455-A458 PolarHBondContact O-N 2.56Å; A458-Q460 VanDerWaalsContact C-N 3.33Å; A458-Q460 PolarHBondContact O-N 3.39Å; A458-T462 VanDerWaalsContact O-CB 3.26Å; A458-T462 WeakPolarHBondContact O-CB 3.31Å; A458-T462 PolarHBondContact O-N 2.91Å; A458-T462 PolarHBondContact O-OG1 2.84Å; A458-C478 VanDerWaalsContact C-SG 3.51Å; A458-V500 HydrophobicContact CB-CG1 4.02Å
459	L	90.9	Very high	92.1	Very high	52 Å²	52	24.6 Å²	24.6	27%	0.272	11%	0.113	S	C	.	.	H	α-helix	trans	-61.7	-39.5	174	-73.6	171.2	0	0	0	112.1	R455 T462 K463 Y480	R455-L459 PolarHBondContact O-N 2.97Å; L459-T462 PolarHBondContact O-N 3.12Å; L459-K463 WeakPolarHBondContact O-CB 3.39Å; L459-K463 PolarHBondContact O-N 3.4Å; L459-Y480 HydrophobicContact CD1-CE2 4.16Å; L459-Y480 HydrophobicContact CD2-CE1 3.82Å; L459-Y480 HydrophobicContact CG-CE1 4.22Å
460	Q	89.9	Confident	91.6	Very high	39 Å²	39	33 Å²	33	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-68.1	-47.9	178.4	-172.1	168.8	-79	0	0	113	E456 L457 A458 T462 K463 E464 G682 D684	E456-Q460 WeakPolarHBondContact O-CB 3.26Å; E456-Q460 PolarHBondContact O-N 3.09Å; L457-Q460 PolarHBondContact O-N 3.41Å; A458-Q460 VanDerWaalsContact C-N 3.33Å; A458-Q460 PolarHBondContact O-N 3.39Å; Q460-T462 VanDerWaalsContact C-N 3.28Å; Q460-T462 PolarHBondContact O-N 2.89Å; Q460-K463 WeakPolarHBondContact O-CB 3.42Å; Q460-K463 PolarHBondContact O-N 2.66Å; Q460-K463 VanDerWaalsContact O-N 3.14Å; Q460-E464 PolarHBondContact O-N 2.91Å; Q460-G682 PolarHBondContact NE2-O 2.65Å; Q460-G682 PolarHBondContact OE1-O 3.09Å; Q460-D684 VanDerWaalsContact OE1-N 3.11Å
461	I	94.3	Very high	91.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-40.5	175.2	-67.1	167.6	0	0	0	109.8	T423 F426 I450 T452 L457 K463 E464 C465 V500 D529	T423-I461 HydrophobicContact CG2-CG1 4.06Å; T423-I461 HydrophobicContact CG2-CG2 4.36Å; F426-I461 HydrophobicContact CE2-CG2 4.23Å; F426-I461 HydrophobicContact CZ-CD1 4.25Å; F426-I461 HydrophobicContact CZ-CG2 4.47Å; I450-I461 HydrophobicContact CD1-CG2 4.03Å; I450-I461 HydrophobicContact CG2-CD1 4.16Å; I450-I461 HydrophobicContact CG2-CG2 4.15Å; T452-I461 HydrophobicContact CG2-CD1 4.38Å; L457-I461 HydrophobicContact CD1-CD1 3.76Å; L457-I461 HydrophobicContact CD1-CG1 3.82Å; L457-I461 HydrophobicContact CG-CD1 3.81Å; L457-I461 HydrophobicContact CG-CG1 4.33Å; L457-I461 WeakPolarHBondContact O-CB 3.44Å; L457-I461 WeakPolarHBondContact O-CG1 3.31Å; L457-I461 PolarHBondContact O-N 3.49Å; I461-K463 PolarHBondContact O-N 3.43Å; I461-E464 PolarHBondContact O-N 2.7Å; I461-C465 VanDerWaalsContact O-CB 3.23Å; I461-C465 WeakPolarHBondContact O-CB 3.42Å; I461-C465 PolarHBondContact O-N 3.25Å; I461-V500 HydrophobicContact CB-CG1 3.94Å; I461-V500 HydrophobicContact CG2-CG1 3.89Å; I461-V500 HydrophobicContact CG2-CG2 4.01Å; I461-D529 HydrophobicContact CD1-CB 4.26Å
462	T	95.1	Very high	90.9	Very high	7 Å²	7	37 Å²	37	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-44.7	173.1	-65	0	0	0	0	111.9	A458 L459 Q460 C465 K466 V476 C478 V500	A458-T462 VanDerWaalsContact O-CB 3.26Å; A458-T462 WeakPolarHBondContact O-CB 3.31Å; A458-T462 PolarHBondContact O-N 2.91Å; A458-T462 PolarHBondContact O-OG1 2.84Å; L459-T462 PolarHBondContact O-N 3.12Å; Q460-T462 VanDerWaalsContact C-N 3.28Å; Q460-T462 PolarHBondContact O-N 2.89Å; T462-C465 PolarHBondContact O-N 3.45Å; T462-K466 HydrophobicContact CG2-CD 3.85Å; T462-K466 HydrophobicContact CG2-CG 4.31Å; T462-K466 WeakPolarHBondContact O-CB 3.32Å; T462-K466 WeakPolarHBondContact O-CG 3.28Å; T462-K466 PolarHBondContact O-N 2.87Å; T462-V476 HydrophobicContact CG2-CG1 4.12Å; T462-C478 HydrophobicContact CG2-CB 4.15Å; T462-C478 WeakPolarHBondContact OG1-CB 3.33Å; T462-C478 PolarHBondContact OG1-SG 3.48Å; T462-V500 WeakPolarHBondContact OG1-CB 3.49Å; T462-V500 WeakPolarHBondContact OG1-CG2 3.1Å
463	K	92.9	Very high	90.8	Very high	147 Å²	147	40 Å²	40	64%	0.639	20%	0.204	S	C	*	.	H	α-helix	trans	-64.5	-40.9	178.7	-169.2	171	-174	168.9	0	112.1	L459 Q460 I461	L459-K463 WeakPolarHBondContact O-CB 3.39Å; L459-K463 PolarHBondContact O-N 3.4Å; Q460-K463 WeakPolarHBondContact O-CB 3.42Å; Q460-K463 PolarHBondContact O-N 2.66Å; Q460-K463 VanDerWaalsContact O-N 3.14Å; I461-K463 PolarHBondContact O-N 3.43Å
464	E	92.4	Very high	91.2	Very high	43 Å²	43	40.7 Å²	40.7	20%	0.201	21%	0.207	C	C	.	.	H	α-helix	trans	-65.2	-44.2	172.4	-69.6	-56.4	120.6	0	0	111.8	Y392 T423 L427 Q460 I461 K467 F468	Y392-E464 PolarHBondContact OH-OE2 3.23Å; T423-E464 HydrophobicContact CG2-CB 4.37Å; L427-E464 HydrophobicContact CD1-CB 4.24Å; Q460-E464 PolarHBondContact O-N 2.91Å; I461-E464 PolarHBondContact O-N 2.7Å; E464-K467 VanDerWaalsContact O-CB 3.28Å; E464-K467 WeakPolarHBondContact O-CB 3.38Å; E464-K467 PolarHBondContact O-N 3.2Å; E464-K467 WeakPolarHBondContact OE1-CE 3.04Å; E464-K467 IonicContact OE1-NZ 2.76Å; E464-K467 PolarHBondContact OE1-NZ 2.7Å; E464-K467 WeakPolarHBondContact OE2-CE 3.25Å; E464-K467 IonicContact OE2-NZ 3.46Å; E464-K467 PolarHBondContact OE2-NZ 2.73Å; E464-F468 WeakPolarHBondContact O-CD2 3.35Å
465	C	94.9	Very high	91.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-44.1	179	-171.8	0	0	0	0	112.2	L427 F431 I461 T462 K467 F468 S469 V476	L427-C465 HydrophobicContact CD1-CB 4.17Å; L427-C465 HydrophobicContact CD2-CB 4.11Å; F431-C465 VanDerWaalsContact CE1-SG 3.59Å; I461-C465 VanDerWaalsContact O-CB 3.23Å; I461-C465 WeakPolarHBondContact O-CB 3.42Å; I461-C465 PolarHBondContact O-N 3.25Å; T462-C465 PolarHBondContact O-N 3.45Å; C465-K467 PolarHBondContact O-N 2.79Å; C465-K467 VanDerWaalsContact O-N 3.1Å; C465-F468 PolarHBondContact O-N 3.48Å; C465-S469 PolarHBondContact O-N 2.92Å; C465-V476 HydrophobicContact CB-CG1 4.14Å; C465-V476 HydrophobicContact CB-CG2 4.43Å; C465-V476 VanDerWaalsContact SG-CG2 3.54Å
466	K	94.1	Very high	92	Very high	75 Å²	75	43 Å²	43	33%	0.326	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-12.6	177.6	-73.6	-179.7	179.5	179.7	0	113.6	T462 F468 V476	T462-K466 HydrophobicContact CG2-CD 3.85Å; T462-K466 HydrophobicContact CG2-CG 4.31Å; T462-K466 WeakPolarHBondContact O-CB 3.32Å; T462-K466 WeakPolarHBondContact O-CG 3.28Å; T462-K466 PolarHBondContact O-N 2.87Å; K466-F468 VanDerWaalsContact C-N 3.35Å; K466-V476 WeakPolarHBondContact CE-O 3.32Å; K466-V476 HydrophobicContact CG-CB 4.04Å; K466-V476 HydrophobicContact CG-CG2 4.3Å; K466-V476 PolarHBondContact NZ-O 3.47Å
467	K	92.3	Very high	92.5	Very high	64 Å²	64	42.7 Å²	42.7	28%	0.278	21%	0.214	S	C	.	.	H	α-helix	trans	-68.1	-30.5	168.1	-64.2	178.3	-176	170.7	0	113.4	S386 E464 C465	S386-K467 PolarHBondContact OG-O 2.93Å; E464-K467 VanDerWaalsContact O-CB 3.28Å; E464-K467 WeakPolarHBondContact O-CB 3.38Å; E464-K467 PolarHBondContact O-N 3.2Å; E464-K467 WeakPolarHBondContact OE1-CE 3.04Å; E464-K467 IonicContact OE1-NZ 2.76Å; E464-K467 PolarHBondContact OE1-NZ 2.7Å; E464-K467 WeakPolarHBondContact OE2-CE 3.25Å; E464-K467 IonicContact OE2-NZ 3.46Å; E464-K467 PolarHBondContact OE2-NZ 2.73Å; C465-K467 PolarHBondContact O-N 2.79Å; C465-K467 VanDerWaalsContact O-N 3.1Å
468	F	93.3	Very high	92.8	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.216	C	C	.	.	H	α-helix	trans	-105	-41.8	-176.6	-60.6	-87.8	0	0	0	111.4	I383 L387 Y392 I424 L428 F431 E464 C465 K466 K470 T471 L472	I383-F468 HydrophobicContact CG2-CD1 4.4Å; L387-F468 HydrophobicContact CD2-CE1 3.91Å; L387-F468 HydrophobicContact CD2-CZ 3.97Å; L387-F468 HydrophobicContact CG-CE1 4.06Å; Y392-F468 HydrophobicContact CE2-CZ 4.05Å; I424-F468 HydrophobicContact CD1-CE2 3.81Å; I424-F468 HydrophobicContact CD1-CZ 4.19Å; L428-F468 HydrophobicContact CD2-CE1 4.41Å; F431-F468 HydrophobicContact CD2-CB 4.05Å; F431-F468 HydrophobicContact CD2-CG 4.43Å; F431-F468 HydrophobicContact CE1-CB 4.42Å; F431-F468 HydrophobicContact CE2-CB 3.39Å; F431-F468 AromaticContact CE2-CD2 3.9Å; F431-F468 HydrophobicContact CE2-CD2 3.9Å; F431-F468 AromaticContact CE2-CG 3.69Å; F431-F468 HydrophobicContact CE2-CG 3.69Å; F431-F468 HydrophobicContact CZ-CB 3.62Å; F431-F468 HydrophobicContact CZ-CD2 4.33Å; F431-F468 HydrophobicContact CZ-CG 4.27Å; E464-F468 WeakPolarHBondContact O-CD2 3.35Å; C465-F468 PolarHBondContact O-N 3.48Å; K466-F468 VanDerWaalsContact C-N 3.35Å; F468-K470 VanDerWaalsContact C-N 3.29Å; F468-K470 PolarHBondContact O-N 3.12Å; F468-T471 PolarHBondContact O-N 2.7Å; F468-L472 PolarHBondContact O-N 3.24Å
469	S	91.7	Very high	93	Very high	4 Å²	4	43 Å²	43	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-54.1	-43	-173.8	93.7	0	0	0	0	112.5	C465 T471 L472 G473 L474	C465-S469 PolarHBondContact O-N 2.92Å; S469-T471 PolarHBondContact O-N 2.9Å; S469-T471 VanDerWaalsContact O-N 3.15Å; S469-L472 PolarHBondContact O-N 3.1Å; S469-G473 PolarHBondContact O-N 3.35Å; S469-L474 WeakPolarHBondContact CB-O 3.22Å; S469-L474 PolarHBondContact O-N 2.84Å; S469-L474 PolarHBondContact OG-O 3.05Å
470	K	87.7	Confident	93.1	Very high	178 Å²	178	42 Å²	42	77%	0.774	21%	0.209	S	C	*	.	H	α-helix	trans	-58.6	-26	177.2	-68.6	-171	177.4	-167.8	0	114.9	F468	F468-K470 VanDerWaalsContact C-N 3.29Å; F468-K470 PolarHBondContact O-N 3.12Å
471	T	89.1	Confident	93	Very high	68 Å²	68	40.7 Å²	40.7	42%	0.417	21%	0.206	S	C	.	.	H	α-helix	trans	-89.2	-21.2	177.8	-52.5	0	0	0	0	111.7	K382 F468 S469	K382-T471 HydrophobicContact CB-CG2 4.16Å; K382-T471 WeakPolarHBondContact CD-O 3.41Å; K382-T471 HydrophobicContact CG-CG2 4.43Å; K382-T471 PolarHBondContact NZ-O 3.49Å; F468-T471 PolarHBondContact O-N 2.7Å; S469-T471 PolarHBondContact O-N 2.9Å; S469-T471 VanDerWaalsContact O-N 3.15Å
472	L	90.8	Very high	92.5	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-89.6	-28.6	178.7	-63.1	174.8	0	0	0	112.4	K382 I383 F431 M435 F468 S469 L474	K382-L472 HydrophobicContact CB-CD2 4.24Å; K382-L472 HydrophobicContact CD-CD2 4.27Å; I383-L472 HydrophobicContact CD1-CD1 4.41Å; I383-L472 HydrophobicContact CD1-CD2 4.34Å; I383-L472 HydrophobicContact CG1-CD1 4.37Å; I383-L472 HydrophobicContact CG1-CD2 3.93Å; F431-L472 HydrophobicContact CB-CD1 3.68Å; F431-L472 HydrophobicContact CD1-CD1 3.78Å; F431-L472 HydrophobicContact CD2-CD1 4.3Å; F431-L472 HydrophobicContact CG-CD1 3.66Å; M435-L472 HydrophobicContact SD-CB 4.19Å; F468-L472 PolarHBondContact O-N 3.24Å; S469-L472 PolarHBondContact O-N 3.1Å; L472-L474 HydrophobicContact CB-CD1 4.03Å; L472-L474 HydrophobicContact CB-CG 3.88Å; L472-L474 HydrophobicContact CD1-CD1 3.98Å
473	G	91.3	Very high	92	Very high	64 Å²	64	42.8 Å²	42.8	66%	0.66	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	15.4	-172	0	0	0	0	0	113.3	S469	S469-G473 PolarHBondContact O-N 3.35Å
474	L	94.4	Very high	91.5	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.099	21%	0.213	C	C	.	.			trans	-97.1	136.3	-174	-56.5	177.3	0	0	0	111.8	F431 I434 M435 S469 L472 E497 I498	F431-L474 HydrophobicContact CD1-CD1 4.03Å; I434-L474 HydrophobicContact CB-CD1 4.39Å; I434-L474 HydrophobicContact CD1-CD1 4.45Å; I434-L474 HydrophobicContact CG2-CD1 4.02Å; I434-L474 HydrophobicContact CG2-CD2 3.68Å; M435-L474 HydrophobicContact SD-CD1 4.4Å; M435-L474 HydrophobicContact SD-CD2 4.22Å; M435-L474 HydrophobicContact SD-CG 4.41Å; S469-L474 WeakPolarHBondContact CB-O 3.22Å; S469-L474 PolarHBondContact O-N 2.84Å; S469-L474 PolarHBondContact OG-O 3.05Å; L472-L474 HydrophobicContact CB-CD1 4.03Å; L472-L474 HydrophobicContact CB-CG 3.88Å; L472-L474 HydrophobicContact CD1-CD1 3.98Å; L474-E497 HydrophobicContact CD2-CB 4.26Å; L474-E497 HydrophobicContact CD2-CG 4.04Å; L474-I498 HydrophobicContact CB-CD1 4.41Å; L474-I498 HydrophobicContact CD1-CD1 4.34Å
475	R	94.9	Very high	91.4	Very high	104 Å²	104	39 Å²	39	39%	0.392	22%	0.22	S	C	.	.			trans	-89.3	146.7	175.3	-58.5	170.8	-74.3	-177.9	5.6	109.5	R494 G495 E497 I498	R475-R494 PolarHBondContact NH1-O 3.27Å; R475-G495 WeakPolarHBondContact CD-O 3.38Å; R475-G495 PolarHBondContact NE-O 2.84Å; R475-G495 VanDerWaalsContact NE-O 3.13Å; R475-G495 PolarHBondContact NH1-O 3.43Å; R475-E497 WeakPolarHBondContact CA-OE2 3.37Å; R475-E497 VanDerWaalsContact CB-OE2 3.24Å; R475-E497 WeakPolarHBondContact CB-OE2 3.48Å; R475-E497 IonicContact CZ-OE1 3.03Å; R475-E497 VanDerWaalsContact CZ-OE1 3.28Å; R475-E497 PolarHBondContact N-OE2 3.24Å; R475-E497 IonicContact NE-OE1 2.69Å; R475-E497 PolarHBondContact NE-OE1 3.23Å; R475-E497 IonicContact NE-OE2 3.5Å; R475-E497 PolarHBondContact NE-OE2 2.9Å; R475-E497 IonicContact NH2-OE1 3.39Å; R475-E497 PolarHBondContact NH2-OE1 2.72Å; R475-I498 PolarHBondContact O-N 3Å
476	V	96.4	Very high	91	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	116.2	-174	-172.5	0	0	0	0	107.9	T462 C465 K466 I498 V500	T462-V476 HydrophobicContact CG2-CG1 4.12Å; C465-V476 HydrophobicContact CB-CG1 4.14Å; C465-V476 HydrophobicContact CB-CG2 4.43Å; C465-V476 VanDerWaalsContact SG-CG2 3.54Å; K466-V476 WeakPolarHBondContact CE-O 3.32Å; K466-V476 HydrophobicContact CG-CB 4.04Å; K466-V476 HydrophobicContact CG-CG2 4.3Å; K466-V476 PolarHBondContact NZ-O 3.47Å; V476-I498 WeakPolarHBondContact CA-O 3.22Å; V476-I498 HydrophobicContact CG1-CB 4.35Å; V476-I498 HydrophobicContact CG1-CG2 4.09Å; V476-I498 HydrophobicContact CG2-CB 4.3Å; V476-I498 HydrophobicContact CG2-CD1 4Å; V476-V500 HydrophobicContact CG1-CG2 4.25Å
477	V	95.6	Very high	90.8	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.03	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.6	-177.5	178	0	0	0	0	109.5	V479 E491 L492 A496 I498 V500	V477-V479 HydrophobicContact CG1-CG2 4.05Å; V477-E491 HydrophobicContact CB-CB 4.42Å; V477-E491 HydrophobicContact CG1-CB 3.75Å; V477-E491 HydrophobicContact CG2-CB 3.77Å; V477-L492 HydrophobicContact CB-CD2 4.23Å; V477-L492 HydrophobicContact CG1-CD2 3.85Å; V477-L492 HydrophobicContact CG1-CG 4.1Å; V477-A496 HydrophobicContact CB-CB 4.07Å; V477-A496 HydrophobicContact CG2-CB 3.48Å; V477-A496 VanDerWaalsContact CG2-CB 3.48Å; V477-I498 PolarHBondContact N-O 2.87Å; V477-V500 PolarHBondContact O-N 3.16Å
478	C	95.6	Very high	90.9	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	116.9	-179.1	-164.9	0	0	0	0	109.4	A458 T462 Y480 V500	A458-C478 VanDerWaalsContact C-SG 3.51Å; T462-C478 HydrophobicContact CG2-CB 4.15Å; T462-C478 WeakPolarHBondContact OG1-CB 3.33Å; T462-C478 PolarHBondContact OG1-SG 3.48Å; C478-Y480 HydrophobicContact CB-CD1 4.25Å; C478-Y480 HydrophobicContact CB-CE1 4.27Å; C478-Y480 VanDerWaalsContact SG-CD1 3.59Å; C478-V500 CarbonylContact C-O 3.57Å; C478-V500 WeakPolarHBondContact CA-O 3.3Å
479	V	95.2	Very high	90.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	102.4	-170.9	175.1	0	0	0	0	109.5	V477 L492 I499 V500 C501 T502 R505 M506 M509	V477-V479 HydrophobicContact CG1-CG2 4.05Å; V479-L492 HydrophobicContact CG2-CD1 4.07Å; V479-L492 HydrophobicContact CG2-CD2 4.23Å; V479-L492 HydrophobicContact CG2-CG 4.41Å; V479-I499 HydrophobicContact CB-CG2 4.2Å; V479-I499 HydrophobicContact CG2-CG2 3.86Å; V479-V500 PolarHBondContact N-O 3.36Å; V479-C501 HydrophobicContact CB-CB 3.88Å; V479-C501 HydrophobicContact CG1-CB 4.37Å; V479-C501 WeakPolarHBondContact O-CA 3.41Å; V479-C501 WeakPolarHBondContact O-CB 3.43Å; V479-T502 PolarHBondContact O-N 2.82Å; V479-R505 HydrophobicContact CG1-CB 4.34Å; V479-R505 HydrophobicContact CG1-CG 3.79Å; V479-M506 HydrophobicContact CG1-SD 4.39Å; V479-M509 HydrophobicContact CG1-CB 4.38Å; V479-M509 HydrophobicContact CG1-CG 3.55Å
480	Y	93.3	Very high	90.7	Very high	30 Å²	30	46.3 Å²	46.3	12%	0.118	27%	0.272	C	S	.	.			trans	-149.9	152	-171.1	66.3	-76.8	0	0	0	113	R455 L459 C478 T483 Q488 T502 R505 Q655	R455-Y480 HydrophobicContact CB-CD2 3.75Å; R455-Y480 HydrophobicContact CB-CG 4.4Å; R455-Y480 HydrophobicContact CG-CD2 4.02Å; L459-Y480 HydrophobicContact CD1-CE2 4.16Å; L459-Y480 HydrophobicContact CD2-CE1 3.82Å; L459-Y480 HydrophobicContact CG-CE1 4.22Å; C478-Y480 HydrophobicContact CB-CD1 4.25Å; C478-Y480 HydrophobicContact CB-CE1 4.27Å; C478-Y480 VanDerWaalsContact SG-CD1 3.59Å; Y480-T483 HydrophobicContact CE2-CG2 3.67Å; Y480-Q488 PolarHBondContact O-NE2 3.16Å; Y480-Q488 PolarHBondContact O-OE1 2.94Å; Y480-T502 WeakPolarHBondContact CA-OG1 3.26Å; Y480-R505 PolarHBondContact O-NH1 3.09Å; Y480-R505 VanDerWaalsContact O-NH1 3.07Å; Y480-Q655 HydrophobicContact CE2-CG 4.46Å
481	G	88.5	Confident	90.9	Very high	13 Å²	13	41.5 Å²	41.5	13%	0.134	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	165.7	-178.2	0	0	0	0	0	113.8	R455 T483	R455-G481 VanDerWaalsContact CD-O 3.25Å; R455-G481 WeakPolarHBondContact CD-O 3.33Å; R455-G481 PolarHBondContact NE-O 3.31Å; G481-T483 VanDerWaalsContact C-N 3.35Å; G481-T483 PolarHBondContact O-N 3.24Å
482	G	83.2	Confident	91	Very high	19 Å²	19	38.7 Å²	38.7	20%	0.196	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	1.1	174.6	0	0	0	0	0	116.3	Q655	G482-Q655 WeakPolarHBondContact O-CB 3.08Å
483	T	84.3	Confident	91	Very high	33 Å²	33	44.2 Å²	44.2	20%	0.202	26%	0.258	C	S	.	.	S	Bend	trans	-122.5	161.6	166.7	78.3	0	0	0	0	110.5	Y294 Y480 G481 I485 Q488 R505 Q655	Y294-T483 PolarHBondContact OH-O 3.37Å; Y294-T483 VanDerWaalsContact OH-O 3.1Å; Y480-T483 HydrophobicContact CE2-CG2 3.67Å; G481-T483 VanDerWaalsContact C-N 3.35Å; G481-T483 PolarHBondContact O-N 3.24Å; T483-I485 PolarHBondContact O-N 3.27Å; T483-Q488 PolarHBondContact OG1-NE2 3.05Å; T483-R505 PolarHBondContact O-NH1 3.1Å; T483-R505 PolarHBondContact O-NH2 3.16Å; T483-Q655 HydrophobicContact CG2-CG 3.89Å
484	G	83.3	Confident	90.9	Very high	41 Å²	41	50 Å²	50	42%	0.423	26%	0.26	S	S	.	.			trans	-47.7	133.7	176.3	0	0	0	0	0	112.6
485	I	89.3	Confident	90.7	Very high	69 Å²	69	49.6 Å²	49.6	35%	0.354	26%	0.261	S	S	.	.	H	α-helix	trans	-75.5	-28.6	-175.3	-158.6	177.2	0	0	0	112.1	T483 Q488 I489 M509	T483-I485 PolarHBondContact O-N 3.27Å; I485-Q488 PolarHBondContact O-N 3.48Å; I485-I489 HydrophobicContact CD1-CD1 4.29Å; I485-I489 HydrophobicContact CG1-CD1 3.93Å; I485-I489 HydrophobicContact CG1-CG1 4.31Å; I485-I489 HydrophobicContact CG2-CD1 4.19Å; I485-I489 VanDerWaalsContact O-CG1 3.29Å; I485-I489 WeakPolarHBondContact O-CG1 3.18Å; I485-I489 PolarHBondContact O-N 3.07Å; I485-M509 HydrophobicContact CD1-CE 4.2Å; I485-M509 HydrophobicContact CG1-CE 3.39Å; I485-M509 HydrophobicContact CG1-SD 4.42Å
486	S	88.1	Confident	90.7	Very high	81 Å²	81	44.9 Å²	44.9	57%	0.566	24%	0.244	S	C	*	.	H	α-helix	trans	-58.6	-47	-176.6	49.2	0	0	0	0	113.6	I489 A490	S486-I489 PolarHBondContact O-N 2.73Å; S486-A490 WeakPolarHBondContact O-CB 3.16Å; S486-A490 PolarHBondContact O-N 3.47Å
487	E	89.9	Confident	90.7	Very high	145 Å²	145	45.3 Å²	45.3	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-62.8	-44	178	-63.4	-164.2	144.4	0	0	112.1	A490 E491	E487-A490 PolarHBondContact O-N 3.3Å; E487-A490 VanDerWaalsContact O-N 3.16Å; E487-E491 PolarHBondContact O-N 2.65Å
488	Q	92.3	Very high	90.8	Very high	8 Å²	8	45 Å²	45	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-40.9	178.5	-63.6	-179.7	14.7	0	0	110.5	Y480 T483 I485 A490 E491 L492 M509	Y480-Q488 PolarHBondContact O-NE2 3.16Å; Y480-Q488 PolarHBondContact O-OE1 2.94Å; T483-Q488 PolarHBondContact OG1-NE2 3.05Å; I485-Q488 PolarHBondContact O-N 3.48Å; Q488-A490 VanDerWaalsContact C-N 3.33Å; Q488-A490 PolarHBondContact O-N 2.88Å; Q488-E491 PolarHBondContact O-N 3.14Å; Q488-L492 WeakPolarHBondContact O-CB 3.47Å; Q488-L492 VanDerWaalsContact O-CG 3.25Å; Q488-L492 WeakPolarHBondContact O-CG 3.27Å; Q488-L492 PolarHBondContact O-N 3.16Å; Q488-M509 HydrophobicContact CB-CE 3.43Å; Q488-M509 VanDerWaalsContact CB-CE 3.43Å; Q488-M509 HydrophobicContact CG-CE 4.43Å
489	I	91.1	Very high	90.9	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.138	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-41.4	171.5	-69.9	167.2	0	0	0	111	I485 S486 L492 K493 M509 V517	I485-I489 HydrophobicContact CD1-CD1 4.29Å; I485-I489 HydrophobicContact CG1-CD1 3.93Å; I485-I489 HydrophobicContact CG1-CG1 4.31Å; I485-I489 HydrophobicContact CG2-CD1 4.19Å; I485-I489 VanDerWaalsContact O-CG1 3.29Å; I485-I489 WeakPolarHBondContact O-CG1 3.18Å; I485-I489 PolarHBondContact O-N 3.07Å; S486-I489 PolarHBondContact O-N 2.73Å; I489-L492 PolarHBondContact O-N 2.82Å; I489-K493 HydrophobicContact CG2-CD 4.12Å; I489-K493 HydrophobicContact CG2-CG 4.3Å; I489-K493 WeakPolarHBondContact O-CB 3.47Å; I489-K493 WeakPolarHBondContact O-CG 3.41Å; I489-K493 PolarHBondContact O-N 3.14Å; I489-M509 HydrophobicContact CG1-CE 4.1Å; I489-M509 HydrophobicContact CG1-SD 3.69Å; I489-V517 HydrophobicContact CB-CG1 4.33Å; I489-V517 HydrophobicContact CD1-CG2 4.46Å; I489-V517 HydrophobicContact CG1-CG1 3.97Å; I489-V517 HydrophobicContact CG1-CG2 4.16Å; I489-V517 HydrophobicContact CG2-CG1 4.2Å; I489-V517 HydrophobicContact CG2-CG2 4.05Å
490	A	90.6	Very high	91.1	Very high	38 Å²	38	44.6 Å²	44.6	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-70.7	-36.5	179.7	0	0	0	0	0	113.1	S486 E487 Q488 R494	S486-A490 WeakPolarHBondContact O-CB 3.16Å; S486-A490 PolarHBondContact O-N 3.47Å; E487-A490 PolarHBondContact O-N 3.3Å; E487-A490 VanDerWaalsContact O-N 3.16Å; Q488-A490 VanDerWaalsContact C-N 3.33Å; Q488-A490 PolarHBondContact O-N 2.88Å; A490-R494 WeakPolarHBondContact O-CD 3.39Å; A490-R494 VanDerWaalsContact O-CG 3.29Å; A490-R494 WeakPolarHBondContact O-CG 3.47Å; A490-R494 PolarHBondContact O-N 3.03Å
491	E	91.5	Very high	91.2	Very high	77 Å²	77	43.1 Å²	43.1	36%	0.36	24%	0.235	S	C	.	.	H	α-helix	trans	-65.1	-40.9	169.5	-76.8	-146.5	139.6	0	0	111.6	V477 E487 Q488	V477-E491 HydrophobicContact CB-CB 4.42Å; V477-E491 HydrophobicContact CG1-CB 3.75Å; V477-E491 HydrophobicContact CG2-CB 3.77Å; E487-E491 PolarHBondContact O-N 2.65Å; Q488-E491 PolarHBondContact O-N 3.14Å
492	L	92.3	Very high	91.4	Very high	9 Å²	9	43.2 Å²	43.2	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-44.7	178.8	-70.5	174.6	0	0	0	113.1	V477 V479 Q488 I489 R494 G495 I499 M509 V517 T518	V477-L492 HydrophobicContact CB-CD2 4.23Å; V477-L492 HydrophobicContact CG1-CD2 3.85Å; V477-L492 HydrophobicContact CG1-CG 4.1Å; V479-L492 HydrophobicContact CG2-CD1 4.07Å; V479-L492 HydrophobicContact CG2-CD2 4.23Å; V479-L492 HydrophobicContact CG2-CG 4.41Å; Q488-L492 WeakPolarHBondContact O-CB 3.47Å; Q488-L492 VanDerWaalsContact O-CG 3.25Å; Q488-L492 WeakPolarHBondContact O-CG 3.27Å; Q488-L492 PolarHBondContact O-N 3.16Å; I489-L492 PolarHBondContact O-N 2.82Å; L492-R494 PolarHBondContact O-N 3.38Å; L492-G495 WeakPolarHBondContact O-CA 3.45Å; L492-G495 PolarHBondContact O-N 3.19Å; L492-I499 HydrophobicContact CD2-CD1 3.41Å; L492-I499 VanDerWaalsContact CD2-CD1 3.41Å; L492-I499 HydrophobicContact CD2-CG1 3.89Å; L492-M509 HydrophobicContact CD1-CB 4.06Å; L492-M509 HydrophobicContact CD1-CG 3.79Å; L492-M509 HydrophobicContact CD1-SD 3.66Å; L492-V517 HydrophobicContact CB-CG1 4.14Å; L492-V517 HydrophobicContact CD1-CG1 3.9Å; L492-T518 HydrophobicContact CD1-CG2 4.18Å
493	K	90	Very high	91.9	Very high	131 Å²	131	42.4 Å²	42.4	57%	0.57	22%	0.224	S	C	*	.	H	α-helix	trans	-59.6	-31.1	177.4	-81.3	-175.2	175	-174.8	0	113.1	I489 G495	I489-K493 HydrophobicContact CG2-CD 4.12Å; I489-K493 HydrophobicContact CG2-CG 4.3Å; I489-K493 WeakPolarHBondContact O-CB 3.47Å; I489-K493 WeakPolarHBondContact O-CG 3.41Å; I489-K493 PolarHBondContact O-N 3.14Å; K493-G495 PolarHBondContact O-N 3.28Å
494	R	90.3	Very high	92.2	Very high	185 Å²	185	42.1 Å²	42.1	70%	0.698	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.5	173.5	-72.6	166.2	178.9	145.9	0.1	112.8	R475 A490 L492	R475-R494 PolarHBondContact NH1-O 3.27Å; A490-R494 WeakPolarHBondContact O-CD 3.39Å; A490-R494 VanDerWaalsContact O-CG 3.29Å; A490-R494 WeakPolarHBondContact O-CG 3.47Å; A490-R494 PolarHBondContact O-N 3.03Å; L492-R494 PolarHBondContact O-N 3.38Å
495	G	90	Very high	92.6	Very high	11 Å²	11	40.8 Å²	40.8	11%	0.113	21%	0.21	C	C	.	.			trans	93.2	137	-175.4	0	0	0	0	0	112.5	R475 L492 K493	R475-G495 WeakPolarHBondContact CD-O 3.38Å; R475-G495 PolarHBondContact NE-O 2.84Å; R475-G495 VanDerWaalsContact NE-O 3.13Å; R475-G495 PolarHBondContact NH1-O 3.43Å; L492-G495 WeakPolarHBondContact O-CA 3.45Å; L492-G495 PolarHBondContact O-N 3.19Å; K493-G495 PolarHBondContact O-N 3.28Å
496	A	94.3	Very high	92.9	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.041	19%	0.194	C	C	.	.			trans	-144.3	115	-175.4	0	0	0	0	0	111.1	L440 P446 V477 I498	L440-A496 WeakPolarHBondContact CD1-O 3.43Å; P446-A496 WeakPolarHBondContact CA-O 3.45Å; P446-A496 VanDerWaalsContact CB-O 3.31Å; P446-A496 WeakPolarHBondContact CB-O 3.34Å; V477-A496 HydrophobicContact CB-CB 4.07Å; V477-A496 HydrophobicContact CG2-CB 3.48Å; V477-A496 VanDerWaalsContact CG2-CB 3.48Å; A496-I498 PolarHBondContact O-N 2.98Å
497	E	96.6	Very high	93	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.065	17%	0.171	C	C	.	.	S	Bend	trans	-69.5	-24.6	179.9	-62.7	71.3	-140.1	0	0	112.3	I434 L440 I447 A448 L474 R475	I434-E497 HydrophobicContact CG2-CB 4.17Å; L440-E497 HydrophobicContact CD1-CG 4.1Å; L440-E497 HydrophobicContact CG-CG 4.17Å; I447-E497 PolarHBondContact N-O 3.22Å; A448-E497 PolarHBondContact N-O 2.94Å; A448-E497 VanDerWaalsContact N-O 3.12Å; L474-E497 HydrophobicContact CD2-CB 4.26Å; L474-E497 HydrophobicContact CD2-CG 4.04Å; R475-E497 WeakPolarHBondContact CA-OE2 3.37Å; R475-E497 VanDerWaalsContact CB-OE2 3.24Å; R475-E497 WeakPolarHBondContact CB-OE2 3.48Å; R475-E497 IonicContact CZ-OE1 3.03Å; R475-E497 VanDerWaalsContact CZ-OE1 3.28Å; R475-E497 PolarHBondContact N-OE2 3.24Å; R475-E497 IonicContact NE-OE1 2.69Å; R475-E497 PolarHBondContact NE-OE1 3.23Å; R475-E497 IonicContact NE-OE2 3.5Å; R475-E497 PolarHBondContact NE-OE2 2.9Å; R475-E497 IonicContact NH2-OE1 3.39Å; R475-E497 PolarHBondContact NH2-OE1 2.72Å
498	I	98	Very high	93.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	124.3	-177.7	-58.4	157	0	0	0	109.4	M430 F431 I434 A448 I450 L474 R475 V476 V477 A496 V500	M430-I498 HydrophobicContact CE-CD1 3.58Å; M430-I498 HydrophobicContact CE-CG1 3.82Å; M430-I498 HydrophobicContact CE-CG2 3.85Å; M430-I498 HydrophobicContact SD-CG1 4.46Å; M430-I498 HydrophobicContact SD-CG2 4.26Å; F431-I498 HydrophobicContact CD1-CD1 4.28Å; F431-I498 HydrophobicContact CE1-CD1 3.9Å; I434-I498 HydrophobicContact CD1-CD1 3.74Å; I434-I498 HydrophobicContact CD1-CG1 3.39Å; A448-I498 WeakPolarHBondContact O-CA 3.25Å; I450-I498 HydrophobicContact CD1-CG2 4.26Å; L474-I498 HydrophobicContact CB-CD1 4.41Å; L474-I498 HydrophobicContact CD1-CD1 4.34Å; R475-I498 PolarHBondContact O-N 3Å; V476-I498 WeakPolarHBondContact CA-O 3.22Å; V476-I498 HydrophobicContact CG1-CB 4.35Å; V476-I498 HydrophobicContact CG1-CG2 4.09Å; V476-I498 HydrophobicContact CG2-CB 4.3Å; V476-I498 HydrophobicContact CG2-CD1 4Å; V477-I498 PolarHBondContact N-O 2.87Å; A496-I498 PolarHBondContact O-N 2.98Å; I498-V500 HydrophobicContact CG2-CG2 4.5Å
499	I	97.7	Very high	93	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.5	163.6	-64.8	-179.2	0	0	0	109.6	P446 A448 V449 I450 V479 L492 C501 M506	P446-I499 HydrophobicContact CB-CD1 4.33Å; P446-I499 HydrophobicContact CB-CG1 4.05Å; P446-I499 HydrophobicContact CG-CD1 3.66Å; P446-I499 HydrophobicContact CG-CG1 3.91Å; A448-I499 PolarHBondContact O-N 2.83Å; V449-I499 WeakPolarHBondContact CA-O 3.48Å; I450-I499 PolarHBondContact N-O 3.03Å; V479-I499 HydrophobicContact CB-CG2 4.2Å; V479-I499 HydrophobicContact CG2-CG2 3.86Å; L492-I499 HydrophobicContact CD2-CD1 3.41Å; L492-I499 VanDerWaalsContact CD2-CD1 3.41Å; L492-I499 HydrophobicContact CD2-CG1 3.89Å; I499-C501 HydrophobicContact CG2-CB 3.86Å; I499-M506 HydrophobicContact CD1-CE 4.02Å; I499-M506 HydrophobicContact CD1-SD 4.28Å; I499-M506 HydrophobicContact CG2-SD 3.85Å
500	V	97.8	Very high	92.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.4	162.6	-169.9	0	0	0	0	107.8	I450 T452 A458 I461 T462 V476 V477 C478 V479 I498	I450-V500 HydrophobicContact CB-CG1 4.3Å; I450-V500 HydrophobicContact CB-CG2 4.42Å; I450-V500 HydrophobicContact CD1-CG2 4.07Å; I450-V500 HydrophobicContact CG2-CG1 4.33Å; I450-V500 CarbonylContact O-C 3.6Å; I450-V500 WeakPolarHBondContact O-CA 3.21Å; T452-V500 HydrophobicContact CG2-CG1 4.12Å; A458-V500 HydrophobicContact CB-CG1 4.02Å; I461-V500 HydrophobicContact CB-CG1 3.94Å; I461-V500 HydrophobicContact CG2-CG1 3.89Å; I461-V500 HydrophobicContact CG2-CG2 4.01Å; T462-V500 WeakPolarHBondContact OG1-CB 3.49Å; T462-V500 WeakPolarHBondContact OG1-CG2 3.1Å; V476-V500 HydrophobicContact CG1-CG2 4.25Å; V477-V500 PolarHBondContact O-N 3.16Å; C478-V500 CarbonylContact C-O 3.57Å; C478-V500 WeakPolarHBondContact CA-O 3.3Å; V479-V500 PolarHBondContact N-O 3.36Å; I498-V500 HydrophobicContact CG2-CG2 4.5Å
501	C	95.8	Very high	92.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.5	-169.4	62.1	0	0	0	0	116.4	I450 M451 T452 V479 I499 M506	I450-C501 PolarHBondContact O-N 3.49Å; M451-C501 WeakPolarHBondContact CA-O 3.3Å; T452-C501 VanDerWaalsContact CG2-O 3.3Å; T452-C501 WeakPolarHBondContact CG2-O 3.35Å; T452-C501 PolarHBondContact N-O 3.27Å; V479-C501 HydrophobicContact CB-CB 3.88Å; V479-C501 HydrophobicContact CG1-CB 4.37Å; V479-C501 WeakPolarHBondContact O-CA 3.41Å; V479-C501 WeakPolarHBondContact O-CB 3.43Å; I499-C501 HydrophobicContact CG2-CB 3.86Å; C501-M506 HydrophobicContact CB-CB 4.01Å; C501-M506 HydrophobicContact CB-CG 4.29Å; C501-M506 HydrophobicContact CB-SD 3.88Å; C501-M506 VanDerWaalsContact SG-SD 3.68Å
502	T	93.9	Very high	92.3	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	13%	0.132	C	C	.	.			trans	-90.2	137.8	159.8	57.5	0	0	0	0	109.5	R455 V479 Y480 G504 R505 M506	R455-T502 HydrophobicContact CG-CG2 4.26Å; V479-T502 PolarHBondContact O-N 2.82Å; Y480-T502 WeakPolarHBondContact CA-OG1 3.26Å; T502-G504 PolarHBondContact O-N 3.04Å; T502-R505 PolarHBondContact O-N 2.96Å; T502-M506 PolarHBondContact O-N 2.87Å
503	P	92.4	Very high	91.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-50.7	-52	-171.7	-31.5	36.7	0	0	0	115.9	T452 R505 M506 I507 M534 F539 Q542 V543 I546	T452-P503 WeakPolarHBondContact O-CD 3.33Å; P503-R505 PolarHBondContact O-N 2.75Å; P503-M506 WeakPolarHBondContact O-CB 3.32Å; P503-M506 PolarHBondContact O-N 2.59Å; P503-M506 VanDerWaalsContact O-N 3.08Å; P503-I507 PolarHBondContact O-N 3.3Å; P503-M534 HydrophobicContact CG-SD 4.21Å; P503-F539 HydrophobicContact CG-CB 4.33Å; P503-Q542 HydrophobicContact CB-CB 3.73Å; P503-V543 HydrophobicContact CB-CG2 4.38Å; P503-V543 HydrophobicContact CG-CG2 3.79Å; P503-I546 HydrophobicContact CB-CD1 3.91Å
504	G	91.2	Very high	90.6	Very high	28 Å²	28	28.8 Å²	28.8	29%	0.289	17%	0.165	S	C	.	.	H	α-helix	trans	-52.5	-57.3	-178.6	0	0	0	0	0	114.2	T502 M506 I507 D508 Q542	T502-G504 PolarHBondContact O-N 3.04Å; G504-M506 PolarHBondContact O-N 2.83Å; G504-I507 WeakPolarHBondContact O-CA 3.47Å; G504-I507 WeakPolarHBondContact O-CB 3.35Å; G504-I507 PolarHBondContact O-N 3.34Å; G504-D508 PolarHBondContact O-N 2.87Å; G504-Q542 VanDerWaalsContact N-OE1 3.1Å
505	R	92	Very high	89.6	Confident	13 Å²	13	21.4 Å²	21.4	5%	0.049	15%	0.147	C	C	.	.	H	α-helix	trans	-65.3	-25.7	178.6	-175.3	62.6	70.6	90	-13.7	113	Y294 V479 Y480 T483 T502 P503 D508 M509	Y294-R505 PolarHBondContact OH-NH2 2.84Å; V479-R505 HydrophobicContact CG1-CB 4.34Å; V479-R505 HydrophobicContact CG1-CG 3.79Å; Y480-R505 PolarHBondContact O-NH1 3.09Å; Y480-R505 VanDerWaalsContact O-NH1 3.07Å; T483-R505 PolarHBondContact O-NH1 3.1Å; T483-R505 PolarHBondContact O-NH2 3.16Å; T502-R505 PolarHBondContact O-N 2.96Å; P503-R505 PolarHBondContact O-N 2.75Å; R505-D508 PolarHBondContact O-N 3.44Å; R505-M509 HydrophobicContact CG-CE 4.4Å; R505-M509 WeakPolarHBondContact O-CG 3.45Å; R505-M509 PolarHBondContact O-N 3.4Å
506	M	94	Very high	88.9	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67.3	-38.1	171.4	-169.2	70.6	-117.8	0	0	111.5	V479 I499 C501 T502 P503 G504 M509 L510 T518 L520 I546	V479-M506 HydrophobicContact CG1-SD 4.39Å; I499-M506 HydrophobicContact CD1-CE 4.02Å; I499-M506 HydrophobicContact CD1-SD 4.28Å; I499-M506 HydrophobicContact CG2-SD 3.85Å; C501-M506 HydrophobicContact CB-CB 4.01Å; C501-M506 HydrophobicContact CB-CG 4.29Å; C501-M506 HydrophobicContact CB-SD 3.88Å; C501-M506 VanDerWaalsContact SG-SD 3.68Å; T502-M506 PolarHBondContact O-N 2.87Å; P503-M506 WeakPolarHBondContact O-CB 3.32Å; P503-M506 PolarHBondContact O-N 2.59Å; P503-M506 VanDerWaalsContact O-N 3.08Å; G504-M506 PolarHBondContact O-N 2.83Å; M506-M509 HydrophobicContact CE-CB 4.22Å; M506-M509 PolarHBondContact O-N 3.25Å; M506-L510 HydrophobicContact CE-CD1 3.99Å; M506-L510 HydrophobicContact CE-CD2 4.1Å; M506-L510 HydrophobicContact CE-CG 3.73Å; M506-L510 HydrophobicContact CG-CD1 4.16Å; M506-L510 WeakPolarHBondContact O-CD1 3.47Å; M506-L510 VanDerWaalsContact O-CG 3.29Å; M506-L510 WeakPolarHBondContact O-CG 3.48Å; M506-L510 PolarHBondContact O-N 3.02Å; M506-L510 VanDerWaalsContact O-N 3.1Å; M506-T518 HydrophobicContact CE-CG2 3.78Å; M506-L520 HydrophobicContact CE-CD2 4.44Å; M506-I546 HydrophobicContact CB-CD1 3.89Å; M506-I546 HydrophobicContact CG-CD1 4.04Å; M506-I546 HydrophobicContact CG-CG1 4.37Å; M506-I546 HydrophobicContact CG-CG2 4.48Å
507	I	91.9	Very high	88.5	Confident	16 Å²	16	31.2 Å²	31.2	8%	0.082	18%	0.18	C	C	.	.	H	α-helix	trans	-64.6	-45.2	173.6	-66.3	170.2	0	0	0	110.2	L318 P503 G504 M509 L510 A511 Q542 R545 I546	L318-I507 HydrophobicContact CD1-CB 4.25Å; L318-I507 HydrophobicContact CD1-CG1 4.05Å; L318-I507 HydrophobicContact CD1-CG2 3.91Å; L318-I507 HydrophobicContact CG-CG2 4.15Å; P503-I507 PolarHBondContact O-N 3.3Å; G504-I507 WeakPolarHBondContact O-CA 3.47Å; G504-I507 WeakPolarHBondContact O-CB 3.35Å; G504-I507 PolarHBondContact O-N 3.34Å; I507-M509 VanDerWaalsContact C-N 3.32Å; I507-M509 PolarHBondContact O-N 3.29Å; I507-L510 PolarHBondContact O-N 3.33Å; I507-L510 VanDerWaalsContact O-N 3.16Å; I507-A511 WeakPolarHBondContact O-CB 3.26Å; I507-A511 PolarHBondContact O-N 3.24Å; I507-Q542 HydrophobicContact CD1-CB 3.73Å; I507-Q542 HydrophobicContact CD1-CG 4.07Å; I507-R545 HydrophobicContact CD1-CB 4.25Å; I507-I546 HydrophobicContact CD1-CG1 4.49Å; I507-I546 HydrophobicContact CG1-CD1 4.14Å; I507-I546 HydrophobicContact CG1-CG1 3.86Å
508	D	90.6	Very high	88.2	Confident	45 Å²	45	31 Å²	31	24%	0.241	18%	0.18	C	C	.	.	H	α-helix	trans	-55.6	-45.2	173.6	-71.4	-51.8	0	0	0	111.7	K316 G504 R505 L510 A511 A512	K316-D508 IonicContact NZ-OD1 2.73Å; K316-D508 PolarHBondContact NZ-OD1 2.86Å; G504-D508 PolarHBondContact O-N 2.87Å; R505-D508 PolarHBondContact O-N 3.44Å; D508-L510 VanDerWaalsContact C-N 3.31Å; D508-L510 PolarHBondContact O-N 3.48Å; D508-A511 PolarHBondContact O-N 3.44Å; D508-A512 WeakPolarHBondContact O-CB 3.39Å; D508-A512 PolarHBondContact O-N 3.13Å
509	M	90.8	Very high	87.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-29.3	179	-71.9	-63.2	163.8	0	0	114.2	V479 I485 Q488 I489 L492 R505 M506 I507 V517 T518	V479-M509 HydrophobicContact CG1-CB 4.38Å; V479-M509 HydrophobicContact CG1-CG 3.55Å; I485-M509 HydrophobicContact CD1-CE 4.2Å; I485-M509 HydrophobicContact CG1-CE 3.39Å; I485-M509 HydrophobicContact CG1-SD 4.42Å; Q488-M509 HydrophobicContact CB-CE 3.43Å; Q488-M509 VanDerWaalsContact CB-CE 3.43Å; Q488-M509 HydrophobicContact CG-CE 4.43Å; I489-M509 HydrophobicContact CG1-CE 4.1Å; I489-M509 HydrophobicContact CG1-SD 3.69Å; L492-M509 HydrophobicContact CD1-CB 4.06Å; L492-M509 HydrophobicContact CD1-CG 3.79Å; L492-M509 HydrophobicContact CD1-SD 3.66Å; R505-M509 HydrophobicContact CG-CE 4.4Å; R505-M509 WeakPolarHBondContact O-CG 3.45Å; R505-M509 PolarHBondContact O-N 3.4Å; M506-M509 HydrophobicContact CE-CB 4.22Å; M506-M509 PolarHBondContact O-N 3.25Å; I507-M509 VanDerWaalsContact C-N 3.32Å; I507-M509 PolarHBondContact O-N 3.29Å; M509-V517 HydrophobicContact SD-CG1 3.99Å; M509-T518 HydrophobicContact CB-CG2 4.29Å
510	L	90.1	Very high	87.7	Confident	10 Å²	10	33.2 Å²	33.2	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-82.8	-28.4	177.4	-69	164.5	0	0	0	111.9	L318 M506 I507 D508 G515 T518 L520	L318-L510 HydrophobicContact CD1-CB 4.1Å; L318-L510 HydrophobicContact CD1-CD1 4.15Å; L318-L510 HydrophobicContact CD2-CB 3.48Å; L318-L510 VanDerWaalsContact CD2-CB 3.48Å; L318-L510 HydrophobicContact CG-CB 4.39Å; M506-L510 HydrophobicContact CE-CD1 3.99Å; M506-L510 HydrophobicContact CE-CD2 4.1Å; M506-L510 HydrophobicContact CE-CG 3.73Å; M506-L510 HydrophobicContact CG-CD1 4.16Å; M506-L510 WeakPolarHBondContact O-CD1 3.47Å; M506-L510 VanDerWaalsContact O-CG 3.29Å; M506-L510 WeakPolarHBondContact O-CG 3.48Å; M506-L510 PolarHBondContact O-N 3.02Å; M506-L510 VanDerWaalsContact O-N 3.1Å; I507-L510 PolarHBondContact O-N 3.33Å; I507-L510 VanDerWaalsContact O-N 3.16Å; D508-L510 VanDerWaalsContact C-N 3.31Å; D508-L510 PolarHBondContact O-N 3.48Å; L510-G515 VanDerWaalsContact O-CA 3.27Å; L510-G515 WeakPolarHBondContact O-CA 3.4Å; L510-T518 HydrophobicContact CD2-CG2 3.89Å; L510-T518 HydrophobicContact CG-CG2 4.45Å; L510-L520 HydrophobicContact CD1-CD1 3.9Å; L510-L520 HydrophobicContact CD1-CD2 4.24Å; L510-L520 HydrophobicContact CD1-CG 4.07Å; L510-L520 HydrophobicContact CD2-CD2 3.82Å; L510-L520 HydrophobicContact CD2-CG 3.77Å
511	A	86.8	Confident	87.4	Confident	32 Å²	32	40.6 Å²	40.6	26%	0.264	22%	0.219	S	C	.	.	H	α-helix	trans	-81.1	-31.3	172.5	0	0	0	0	0	112.5	I507 D508 N513 S514	I507-A511 WeakPolarHBondContact O-CB 3.26Å; I507-A511 PolarHBondContact O-N 3.24Å; D508-A511 PolarHBondContact O-N 3.44Å; A511-N513 PolarHBondContact O-N 2.78Å; A511-S514 PolarHBondContact O-N 3.36Å; A511-S514 VanDerWaalsContact O-N 3.1Å
512	A	82.4	Confident	87.3	Confident	20 Å²	20	41.3 Å²	41.3	17%	0.165	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	134.8	-174.9	0	0	0	0	0	113	D508 S514 G515 V517	D508-A512 WeakPolarHBondContact O-CB 3.39Å; D508-A512 PolarHBondContact O-N 3.13Å; A512-S514 PolarHBondContact O-N 3.14Å; A512-G515 PolarHBondContact O-N 2.89Å; A512-V517 HydrophobicContact CB-CB 4.37Å; A512-V517 HydrophobicContact CB-CG2 3.72Å
513	N	75.6	Confident	87.5	Confident	94 Å²	94	40.6 Å²	40.6	50%	0.503	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	34.8	-175.4	-58.3	-49.8	0	0	0	113.4	A511 G515 R516 V517	A511-N513 PolarHBondContact O-N 2.78Å; N513-G515 PolarHBondContact O-N 3.28Å; N513-R516 HydrophobicContact CB-CB 4.04Å; N513-R516 VanDerWaalsContact O-CB 3.24Å; N513-R516 WeakPolarHBondContact O-CB 3.42Å; N513-R516 WeakPolarHBondContact O-CD 3.3Å; N513-R516 WeakPolarHBondContact O-CG 3.14Å; N513-R516 PolarHBondContact O-N 3.37Å; N513-V517 HydrophobicContact CB-CG2 4.18Å; N513-V517 VanDerWaalsContact ND2-CG2 3.25Å; N513-V517 WeakPolarHBondContact ND2-CG2 3.39Å
514	S	70.5	Confident	87.7	Confident	116 Å²	116	40.6 Å²	40.6	81%	0.811	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	48.6	-176.3	-50.7	0	0	0	0	112.9	A511 A512 R516	A511-S514 PolarHBondContact O-N 3.36Å; A511-S514 VanDerWaalsContact O-N 3.1Å; A512-S514 PolarHBondContact O-N 3.14Å; S514-R516 VanDerWaalsContact C-N 3.28Å; S514-R516 PolarHBondContact O-N 2.75Å
515	G	68.2	Low	88	Confident	30 Å²	30	39.3 Å²	39.3	31%	0.309	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	8.7	-180	0	0	0	0	0	115.4	L510 A512 N513	L510-G515 VanDerWaalsContact O-CA 3.27Å; L510-G515 WeakPolarHBondContact O-CA 3.4Å; A512-G515 PolarHBondContact O-N 2.89Å; N513-G515 PolarHBondContact O-N 3.28Å
516	R	75.9	Confident	88.3	Confident	214 Å²	214	38.7 Å²	38.7	81%	0.808	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.4	178.1	-63.4	175.6	-179.3	-173.1	0.9	114.4	N513 S514	N513-R516 HydrophobicContact CB-CB 4.04Å; N513-R516 VanDerWaalsContact O-CB 3.24Å; N513-R516 WeakPolarHBondContact O-CB 3.42Å; N513-R516 WeakPolarHBondContact O-CD 3.3Å; N513-R516 WeakPolarHBondContact O-CG 3.14Å; N513-R516 PolarHBondContact O-N 3.37Å; S514-R516 VanDerWaalsContact C-N 3.28Å; S514-R516 PolarHBondContact O-N 2.75Å
517	V	85.4	Confident	88.5	Confident	8 Å²	8	38.7 Å²	38.7	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-78.9	-48.3	174.7	172.6	0	0	0	0	111.2	I489 L492 M509 A512 N513	I489-V517 HydrophobicContact CB-CG1 4.33Å; I489-V517 HydrophobicContact CD1-CG2 4.46Å; I489-V517 HydrophobicContact CG1-CG1 3.97Å; I489-V517 HydrophobicContact CG1-CG2 4.16Å; I489-V517 HydrophobicContact CG2-CG1 4.2Å; I489-V517 HydrophobicContact CG2-CG2 4.05Å; L492-V517 HydrophobicContact CB-CG1 4.14Å; L492-V517 HydrophobicContact CD1-CG1 3.9Å; M509-V517 HydrophobicContact SD-CG1 3.99Å; A512-V517 HydrophobicContact CB-CB 4.37Å; A512-V517 HydrophobicContact CB-CG2 3.72Å; N513-V517 HydrophobicContact CB-CG2 4.18Å; N513-V517 VanDerWaalsContact ND2-CG2 3.25Å; N513-V517 WeakPolarHBondContact ND2-CG2 3.39Å
518	T	90.1	Very high	88.7	Confident	9 Å²	9	38 Å²	38	6%	0.055	20%	0.198	C	C	.	.			trans	-160.9	164.1	176.4	-161.4	0	0	0	0	110	L492 M506 M509 L510	L492-T518 HydrophobicContact CD1-CG2 4.18Å; M506-T518 HydrophobicContact CE-CG2 3.78Å; M509-T518 HydrophobicContact CB-CG2 4.29Å; L510-T518 HydrophobicContact CD2-CG2 3.89Å; L510-T518 HydrophobicContact CG-CG2 4.45Å
519	N	91.8	Very high	88.8	Confident	41 Å²	41	36.1 Å²	36.1	22%	0.219	19%	0.188	C	C	.	.			trans	-143.7	167.3	179.2	64.4	82.4	0	0	0	109.7	G443 G445 P446 R521	G443-N519 PolarHBondContact O-ND2 3.23Å; G443-N519 VanDerWaalsContact O-ND2 3.13Å; G445-N519 WeakPolarHBondContact CA-O 3.37Å; P446-N519 WeakPolarHBondContact CD-O 3.47Å; N519-R521 WeakPolarHBondContact OD1-CB 3.06Å; N519-R521 PolarHBondContact OD1-N 3.2Å
520	L	94	Very high	88.7	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.192	C	C	.	.	S	Bend	trans	-105.4	14	-178.5	-53.3	-173.9	0	0	0	114.2	V449 M506 L510 R522 V523 I546 N549 V550	V449-L520 HydrophobicContact CG2-CD2 4.29Å; M506-L520 HydrophobicContact CE-CD2 4.44Å; L510-L520 HydrophobicContact CD1-CD1 3.9Å; L510-L520 HydrophobicContact CD1-CD2 4.24Å; L510-L520 HydrophobicContact CD1-CG 4.07Å; L510-L520 HydrophobicContact CD2-CD2 3.82Å; L510-L520 HydrophobicContact CD2-CG 3.77Å; L520-R522 VanDerWaalsContact C-N 3.34Å; L520-R522 PolarHBondContact O-N 3.48Å; L520-V523 HydrophobicContact CB-CB 4.46Å; L520-V523 HydrophobicContact CB-CG2 4.01Å; L520-V523 HydrophobicContact CD2-CG2 4.03Å; L520-V523 WeakPolarHBondContact O-CB 3.14Å; L520-V523 PolarHBondContact O-N 3.43Å; L520-V523 VanDerWaalsContact O-N 3.08Å; L520-I546 HydrophobicContact CD1-CG2 3.81Å; L520-I546 VanDerWaalsContact CD1-O 3.29Å; L520-I546 WeakPolarHBondContact CD1-O 3.28Å; L520-N549 HydrophobicContact CD1-CB 3.78Å; L520-N549 HydrophobicContact CG-CB 4.44Å; L520-V550 HydrophobicContact CB-CG2 4.02Å; L520-V550 HydrophobicContact CD1-CG2 3.6Å; L520-V550 HydrophobicContact CG-CG2 4.4Å
521	R	91.6	Very high	88.4	Confident	155 Å²	155	36.4 Å²	36.4	59%	0.585	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.5	-171.5	-63.8	-178	178	-172.9	0.2	113.5	N519	N519-R521 WeakPolarHBondContact OD1-CB 3.06Å; N519-R521 PolarHBondContact OD1-N 3.2Å
522	R	94.4	Very high	88.2	Confident	16 Å²	16	35.1 Å²	35.1	6%	0.06	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.6	176.6	-75.9	-65.3	-61.3	-84.1	2.8	114.2	R438 S439 L440 E444 G445 P446 L520 T524	R438-R522 VanDerWaalsContact NH1-NH1 3.13Å; R438-R522 PolarHBondContact O-NH2 2.91Å; S439-R522 PolarHBondContact O-NH1 3.33Å; L440-R522 HydrophobicContact CD2-CG 4.4Å; E444-R522 HydrophobicContact CB-CG 4.36Å; E444-R522 WeakPolarHBondContact OE1-CD 3.42Å; E444-R522 WeakPolarHBondContact OE1-CG 3.4Å; E444-R522 IonicContact OE1-CZ 3.75Å; E444-R522 IonicContact OE1-NE 3.38Å; E444-R522 IonicContact OE1-NH1 3.87Å; E444-R522 PolarHBondContact OE1-NH1 3.35Å; E444-R522 IonicContact OE2-NH1 2.82Å; E444-R522 PolarHBondContact OE2-NH1 2.84Å; G445-R522 WeakPolarHBondContact O-CB 3.41Å; P446-R522 CarbonylContact O-C 3.58Å; P446-R522 WeakPolarHBondContact O-CB 3.34Å; L520-R522 VanDerWaalsContact C-N 3.34Å; L520-R522 PolarHBondContact O-N 3.48Å; R522-T524 PolarHBondContact O-N 3.29Å; R522-T524 VanDerWaalsContact O-N 3.12Å
523	V	97.1	Very high	87.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-69.9	114.2	-174.4	178.8	0	0	0	0	109.9	P446 I447 V449 L520 V526 V550 R551	P446-V523 HydrophobicContact CG-CG2 3.82Å; P446-V523 WeakPolarHBondContact O-CA 3.35Å; P446-V523 WeakPolarHBondContact O-CG2 3.36Å; P446-V523 PolarHBondContact O-N 2.93Å; P446-V523 VanDerWaalsContact O-N 3.12Å; I447-V523 WeakPolarHBondContact O-CA 3.33Å; V449-V523 HydrophobicContact CB-CG1 4.35Å; V449-V523 HydrophobicContact CG2-CG1 3.98Å; V449-V523 HydrophobicContact CG2-CG2 3.66Å; L520-V523 HydrophobicContact CB-CB 4.46Å; L520-V523 HydrophobicContact CB-CG2 4.01Å; L520-V523 HydrophobicContact CD2-CG2 4.03Å; L520-V523 WeakPolarHBondContact O-CB 3.14Å; L520-V523 PolarHBondContact O-N 3.43Å; L520-V523 VanDerWaalsContact O-N 3.08Å; V523-V526 HydrophobicContact CG1-CG2 3.68Å; V523-V550 HydrophobicContact CB-CG1 3.84Å; V523-V550 HydrophobicContact CB-CG2 4.29Å; V523-V550 HydrophobicContact CG1-CG1 3.7Å; V523-V550 HydrophobicContact CG1-CG2 4.07Å; V523-V550 WeakPolarHBondContact O-CG1 3.28Å; V523-R551 WeakPolarHBondContact O-CD 3.21Å; V523-R551 VanDerWaalsContact O-CG 3.26Å; V523-R551 WeakPolarHBondContact O-CG 3.43Å
524	T	97.4	Very high	87.9	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.154	C	C	.	.			trans	-118.8	-7	-177.6	46.7	0	0	0	0	112.4	F331 H433 Q437 I447 R522 Q555	F331-T524 HydrophobicContact CB-CG2 4.46Å; F331-T524 HydrophobicContact CD1-CG2 3.53Å; F331-T524 HydrophobicContact CD2-CG2 3.92Å; F331-T524 HydrophobicContact CE1-CG2 3.54Å; F331-T524 HydrophobicContact CE2-CG2 3.93Å; F331-T524 HydrophobicContact CG-CG2 3.71Å; F331-T524 HydrophobicContact CZ-CG2 3.72Å; H433-T524 WeakPolarHBondContact NE2-CB 3.43Å; H433-T524 PolarHBondContact NE2-OG1 3.21Å; Q437-T524 PolarHBondContact NE2-OG1 3.32Å; I447-T524 WeakPolarHBondContact CG2-OG1 3.22Å; I447-T524 PolarHBondContact O-N 3.47Å; I447-T524 PolarHBondContact O-OG1 3.46Å; R522-T524 PolarHBondContact O-N 3.29Å; R522-T524 VanDerWaalsContact O-N 3.12Å; T524-Q555 PolarHBondContact O-N 2.84Å
525	Y	98.1	Very high	88	Confident	0 Å²	0	27 Å²	27	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	114.2	179.4	-170.6	-88.8	0	0	0	110.5	I406 F426 M430 I447 A448 V449 V527 Q555 V557	I406-Y525 HydrophobicContact CG2-CE2 3.68Å; I406-Y525 WeakPolarHBondContact CG2-OH 3.38Å; F426-Y525 PolarHBondContact O-OH 3.08Å; M430-Y525 HydrophobicContact CB-CD1 3.92Å; M430-Y525 HydrophobicContact CB-CE1 3.47Å; M430-Y525 VanDerWaalsContact CB-CE1 3.47Å; M430-Y525 HydrophobicContact CG-CD1 3.6Å; M430-Y525 HydrophobicContact CG-CE1 3.66Å; M430-Y525 HydrophobicContact CG-CG 4.35Å; M430-Y525 HydrophobicContact SD-CD1 4.22Å; M430-Y525 HydrophobicContact SD-CE1 4.22Å; I447-Y525 PolarHBondContact O-N 2.76Å; A448-Y525 VanDerWaalsContact CA-O 3.25Å; A448-Y525 WeakPolarHBondContact CA-O 3.41Å; A448-Y525 HydrophobicContact CB-CD1 4.23Å; V449-Y525 PolarHBondContact N-O 3.49Å; V449-Y525 VanDerWaalsContact N-O 3.1Å; Y525-V527 HydrophobicContact CD1-CG2 3.91Å; Y525-V527 HydrophobicContact CE1-CG2 3.37Å; Y525-Q555 WeakPolarHBondContact CA-O 3.46Å; Y525-Q555 HydrophobicContact CD2-CB 4.33Å; Y525-Q555 HydrophobicContact CD2-CG 4.45Å; Y525-V557 HydrophobicContact CE2-CG2 4.16Å
526	V	97.9	Very high	87.9	Confident	0 Å²	0	27 Å²	27	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.1	-178.8	177.9	0	0	0	0	109.8	V449 M451 V523 V550 Q555 T556 V557	V449-V526 WeakPolarHBondContact O-CA 3.26Å; M451-V526 HydrophobicContact CE-CG1 3.62Å; V523-V526 HydrophobicContact CG1-CG2 3.68Å; V526-V550 HydrophobicContact CG2-CB 4.5Å; V526-V550 HydrophobicContact CG2-CG1 3.98Å; V526-V550 HydrophobicContact CG2-CG2 4.16Å; V526-Q555 PolarHBondContact N-O 3.31Å; V526-T556 HydrophobicContact CB-CG2 4.42Å; V526-T556 HydrophobicContact CG1-CG2 4.48Å; V526-T556 CarbonylContact O-C 3.54Å; V526-T556 WeakPolarHBondContact O-CA 3.35Å; V526-V557 PolarHBondContact O-N 3.45Å
527	V	97.6	Very high	87.2	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.6	173.2	-174.8	0	0	0	0	110.6	F426 V449 I450 M451 Y525 V557	F426-V527 HydrophobicContact CB-CG1 4.23Å; F426-V527 HydrophobicContact CB-CG2 4.14Å; F426-V527 HydrophobicContact CD1-CG1 3.88Å; F426-V527 HydrophobicContact CD2-CB 4.46Å; F426-V527 HydrophobicContact CD2-CG1 3.86Å; F426-V527 HydrophobicContact CD2-CG2 4.04Å; F426-V527 HydrophobicContact CE1-CG1 4.03Å; F426-V527 HydrophobicContact CE2-CG1 4.04Å; F426-V527 HydrophobicContact CG-CG1 3.77Å; F426-V527 HydrophobicContact CG-CG2 4.25Å; F426-V527 HydrophobicContact CZ-CG1 4.1Å; V449-V527 PolarHBondContact O-N 3.09Å; I450-V527 HydrophobicContact CB-CB 4.21Å; I450-V527 HydrophobicContact CG1-CB 3.88Å; I450-V527 HydrophobicContact CG1-CG2 3.96Å; I450-V527 HydrophobicContact CG2-CB 4.04Å; I450-V527 HydrophobicContact CG2-CG1 4.14Å; M451-V527 PolarHBondContact N-O 2.89Å; Y525-V527 HydrophobicContact CD1-CG2 3.91Å; Y525-V527 HydrophobicContact CE1-CG2 3.37Å; V527-V557 CarbonylContact C-O 3.24Å; V527-V557 VanDerWaalsContact CA-O 3.24Å; V527-V557 WeakPolarHBondContact CA-O 3.36Å; V527-V557 HydrophobicContact CG2-CB 4.49Å
528	L	95.4	Very high	86.8	Confident	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	108.3	165.1	-57.3	-174.5	0	0	0	108.3	M451 A531 M534 V543 V557 M558 F559 I574	M451-L528 HydrophobicContact CB-CD2 3.83Å; M451-L528 HydrophobicContact CE-CD2 3.62Å; M451-L528 HydrophobicContact CG-CD2 4.47Å; M451-L528 HydrophobicContact SD-CD2 4.01Å; L528-A531 HydrophobicContact CB-CB 4.15Å; L528-M534 HydrophobicContact CB-CE 3.71Å; L528-M534 HydrophobicContact CD2-CE 4.03Å; L528-M534 HydrophobicContact CG-CE 4.34Å; L528-V543 HydrophobicContact CD1-CG1 4.19Å; L528-V543 HydrophobicContact CD2-CG1 3.95Å; L528-V557 PolarHBondContact N-O 2.92Å; L528-M558 HydrophobicContact CB-CB 4.46Å; L528-M558 HydrophobicContact CB-CG 4.09Å; L528-M558 HydrophobicContact CD1-SD 4.39Å; L528-M558 CarbonylContact O-C 3.56Å; L528-M558 WeakPolarHBondContact O-CA 3.41Å; L528-F559 PolarHBondContact O-N 3.45Å; L528-I574 HydrophobicContact CD1-CD1 3.37Å
529	D	93.6	Very high	86.3	Confident	5 Å²	5	23.7 Å²	23.7	3%	0.027	12%	0.116	C	C	.	.	S	Bend	trans	-104.5	150.1	175.3	-160.5	10.8	0	0	0	111.4	F426 M451 P453 I461 A531	F426-D529 HydrophobicContact CE1-CB 3.95Å; F426-D529 VanDerWaalsContact CE1-OD2 3.31Å; F426-D529 WeakPolarHBondContact CE1-OD2 3.38Å; F426-D529 HydrophobicContact CZ-CB 4.07Å; F426-D529 WeakPolarHBondContact CZ-OD2 3.3Å; M451-D529 PolarHBondContact O-N 3.12Å; P453-D529 VanDerWaalsContact CD-O 3.32Å; P453-D529 WeakPolarHBondContact CD-O 3.36Å; I461-D529 HydrophobicContact CD1-CB 4.26Å; D529-A531 PolarHBondContact O-N 2.92Å
530	E	88.3	Confident	85.9	Confident	17 Å²	17	24.6 Å²	24.6	8%	0.079	12%	0.119	C	C	.	.	S	Bend	trans	43.6	44.7	-164.6	-67.1	-160.1	-158.2	0	0	112.8	P453 L457 D532 R533 F559 R681 G682 R709	P453-E530 HydrophobicContact CG-CB 3.87Å; L457-E530 HydrophobicContact CD2-CB 4.13Å; L457-E530 HydrophobicContact CD2-CG 3.81Å; E530-D532 PolarHBondContact O-N 2.68Å; E530-R533 PolarHBondContact O-N 3.34Å; E530-F559 PolarHBondContact N-O 3.32Å; E530-R681 WeakPolarHBondContact OE2-CB 3.46Å; E530-R681 WeakPolarHBondContact OE2-CD 3.33Å; E530-R681 WeakPolarHBondContact OE2-CG 3.41Å; E530-R681 IonicContact OE2-NH1 3.88Å; E530-G682 PolarHBondContact OE1-N 2.91Å; E530-G682 VanDerWaalsContact OE1-N 3.09Å; E530-R709 IonicContact OE1-NH2 3.53Å
531	A	84.6	Confident	85.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.9	-170.9	0	0	0	0	0	114.9	L528 D529 M534 F535 M558 F559 M567	L528-A531 HydrophobicContact CB-CB 4.15Å; D529-A531 PolarHBondContact O-N 2.92Å; A531-M534 HydrophobicContact CB-CE 4.27Å; A531-F535 WeakPolarHBondContact O-CD2 3.47Å; A531-F535 VanDerWaalsContact O-CE2 3.28Å; A531-F535 WeakPolarHBondContact O-CE2 3.27Å; A531-M558 HydrophobicContact CB-CG 3.46Å; A531-M558 VanDerWaalsContact CB-CG 3.46Å; A531-M558 HydrophobicContact CB-SD 3.71Å; A531-F559 PolarHBondContact N-O 3.36Å; A531-F559 VanDerWaalsContact N-O 3.15Å; A531-M567 HydrophobicContact CB-CE 4.28Å; A531-M567 HydrophobicContact CB-SD 4.44Å
532	D	81.5	Confident	85.5	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-37.3	174.9	51.6	-43.7	0	0	0	112.3	E530 F535 D536 S560 T562 M567 R681 H705	E530-D532 PolarHBondContact O-N 2.68Å; D532-F535 PolarHBondContact O-N 2.65Å; D532-D536 PolarHBondContact O-N 2.91Å; D532-S560 PolarHBondContact OD1-OG 3.45Å; D532-T562 VanDerWaalsContact CB-OG1 3.24Å; D532-T562 WeakPolarHBondContact CB-OG1 3.49Å; D532-T562 PolarHBondContact OD2-OG1 2.86Å; D532-M567 VanDerWaalsContact CA-CE 3.46Å; D532-M567 HydrophobicContact CB-CE 3.5Å; D532-M567 VanDerWaalsContact CB-CE 3.5Å; D532-M567 VanDerWaalsContact N-CE 3.34Å; D532-R681 IonicContact OD1-NH1 2.91Å; D532-R681 PolarHBondContact OD1-NH1 3.36Å; D532-R681 IonicContact OD2-CZ 2.7Å; D532-R681 IonicContact OD2-NH1 3.53Å; D532-R681 PolarHBondContact OD2-NH1 3.09Å; D532-R681 IonicContact OD2-NH2 3.73Å; D532-R681 PolarHBondContact OD2-NH2 2.9Å; D532-H705 IonicContact OD1-NE2 3.66Å; D532-H705 IonicContact OD2-CD2 3.52Å; D532-H705 IonicContact OD2-CE1 2.7Å; D532-H705 IonicContact OD2-NE2 2.65Å; D532-H705 PolarHBondContact OD2-NE2 3.46Å
533	R	76.2	Confident	85.3	Confident	39 Å²	39	21.4 Å²	21.4	15%	0.147	12%	0.118	C	C	.	.	H	α-helix	trans	-74	-28.3	179.1	-165.9	61.6	179	-162.3	-5.7	112.8	P453 E530 F535 D536 M537 D702	P453-R533 HydrophobicContact CB-CB 3.79Å; P453-R533 HydrophobicContact CB-CG 3.89Å; P453-R533 HydrophobicContact CG-CB 3.92Å; P453-R533 HydrophobicContact CG-CG 4.36Å; E530-R533 PolarHBondContact O-N 3.34Å; R533-F535 PolarHBondContact O-N 3.38Å; R533-D536 WeakPolarHBondContact CD-OD2 3.45Å; R533-D536 IonicContact CZ-OD2 3.72Å; R533-D536 IonicContact NE-OD2 2.73Å; R533-D536 IonicContact NH1-OD2 2.73Å; R533-D536 PolarHBondContact NH1-OD2 2.9Å; R533-D536 PolarHBondContact O-N 3.16Å; R533-D536 VanDerWaalsContact O-N 3.16Å; R533-M537 HydrophobicContact CG-CG 3.91Å; R533-M537 HydrophobicContact CG-SD 3.59Å; R533-M537 VanDerWaalsContact CG-SD 3.59Å; R533-M537 VanDerWaalsContact NE-CG 3.3Å; R533-M537 PolarHBondContact NE-SD 3.2Å; R533-M537 VanDerWaalsContact NE-SD 3.37Å; R533-M537 PolarHBondContact O-N 3.2Å; R533-D702 IonicContact CZ-OD2 3.19Å; R533-D702 VanDerWaalsContact NH1-CG 3.3Å; R533-D702 IonicContact NH1-OD1 3.37Å; R533-D702 PolarHBondContact NH1-OD1 2.78Å; R533-D702 VanDerWaalsContact NH1-OD1 3.09Å; R533-D702 IonicContact NH1-OD2 2.66Å; R533-D702 PolarHBondContact NH1-OD2 3.23Å; R533-D702 IonicContact NH2-OD2 2.7Å
534	M	75.8	Confident	85	Confident	3 Å²	3	22 Å²	22	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-19	178.6	-69.6	-166.3	-76.6	0	0	113	M451 P453 P503 L528 A531 F539 E540 V543	M451-M534 HydrophobicContact CB-CE 4.46Å; M451-M534 HydrophobicContact CB-SD 4.16Å; P453-M534 HydrophobicContact CB-CG 3.84Å; P453-M534 HydrophobicContact CG-CG 4.39Å; P503-M534 HydrophobicContact CG-SD 4.21Å; L528-M534 HydrophobicContact CB-CE 3.71Å; L528-M534 HydrophobicContact CD2-CE 4.03Å; L528-M534 HydrophobicContact CG-CE 4.34Å; A531-M534 HydrophobicContact CB-CE 4.27Å; M534-F539 HydrophobicContact CB-CB 4.46Å; M534-F539 HydrophobicContact CG-CD2 4.47Å; M534-F539 CarbonylContact O-C 3.59Å; M534-F539 VanDerWaalsContact O-C 3.24Å; M534-F539 WeakPolarHBondContact O-CA 3.4Å; M534-F539 WeakPolarHBondContact O-CB 3.43Å; M534-F539 PolarHBondContact O-N 2.93Å; M534-E540 PolarHBondContact O-N 3.32Å; M534-V543 HydrophobicContact CB-CG2 4.33Å; M534-V543 HydrophobicContact SD-CG2 3.91Å
535	F	72.9	Confident	84.7	Confident	19 Å²	19	27.2 Å²	27.2	8%	0.083	14%	0.14	C	C	.	.	H	α-helix	trans	-89.7	-40.9	171.5	-65.1	-130.9	0	0	0	110.4	A531 D532 R533 M537 G538 M567 L570 F773	A531-F535 WeakPolarHBondContact O-CD2 3.47Å; A531-F535 VanDerWaalsContact O-CE2 3.28Å; A531-F535 WeakPolarHBondContact O-CE2 3.27Å; D532-F535 PolarHBondContact O-N 2.65Å; R533-F535 PolarHBondContact O-N 3.38Å; F535-M537 VanDerWaalsContact C-N 3.28Å; F535-M537 PolarHBondContact O-N 2.7Å; F535-G538 WeakPolarHBondContact O-CA 3.48Å; F535-G538 PolarHBondContact O-N 3.01Å; F535-M567 HydrophobicContact CE1-CB 4.3Å; F535-M567 HydrophobicContact CE1-CG 4.21Å; F535-M567 HydrophobicContact CE2-CB 4.5Å; F535-M567 HydrophobicContact CE2-CG 3.7Å; F535-M567 HydrophobicContact CZ-CB 4.02Å; F535-M567 HydrophobicContact CZ-CG 3.44Å; F535-M567 VanDerWaalsContact CZ-CG 3.44Å; F535-L570 HydrophobicContact CE1-CB 3.39Å; F535-L570 HydrophobicContact CE1-CD1 4.25Å; F535-L570 HydrophobicContact CE1-CD2 4.21Å; F535-L570 HydrophobicContact CE1-CG 4.14Å; F535-L570 HydrophobicContact CE2-CD2 3.97Å; F535-L570 HydrophobicContact CZ-CB 3.5Å; F535-L570 VanDerWaalsContact CZ-CB 3.5Å; F535-L570 HydrophobicContact CZ-CD1 4.23Å; F535-L570 HydrophobicContact CZ-CD2 3.47Å; F535-L570 VanDerWaalsContact CZ-CD2 3.47Å; F535-L570 HydrophobicContact CZ-CG 3.91Å; F535-F773 HydrophobicContact CB-CE1 4.09Å; F535-F773 HydrophobicContact CB-CE2 4.3Å; F535-F773 HydrophobicContact CB-CZ 3.5Å
536	D	66.4	Low	84.4	Confident	29 Å²	29	27.2 Å²	27.2	16%	0.155	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-34.3	-173.1	-163.4	38.8	0	0	0	112	D532 R533 G538 H699 F773	D532-D536 PolarHBondContact O-N 2.91Å; R533-D536 WeakPolarHBondContact CD-OD2 3.45Å; R533-D536 IonicContact CZ-OD2 3.72Å; R533-D536 IonicContact NE-OD2 2.73Å; R533-D536 IonicContact NH1-OD2 2.73Å; R533-D536 PolarHBondContact NH1-OD2 2.9Å; R533-D536 PolarHBondContact O-N 3.16Å; R533-D536 VanDerWaalsContact O-N 3.16Å; D536-G538 VanDerWaalsContact C-N 3.3Å; D536-H699 IonicContact OD1-CD2 3.63Å; D536-F773 HydrophobicContact CB-CE2 3.78Å; D536-F773 HydrophobicContact CB-CZ 4.11Å
537	M	62.2	Low	84.2	Confident	81 Å²	81	27.2 Å²	27.2	40%	0.399	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	12.1	172.3	-63.4	-178.7	63.8	0	0	113.4	R533 F535 F539	R533-M537 HydrophobicContact CG-CG 3.91Å; R533-M537 HydrophobicContact CG-SD 3.59Å; R533-M537 VanDerWaalsContact CG-SD 3.59Å; R533-M537 VanDerWaalsContact NE-CG 3.3Å; R533-M537 PolarHBondContact NE-SD 3.2Å; R533-M537 VanDerWaalsContact NE-SD 3.37Å; R533-M537 PolarHBondContact O-N 3.2Å; F535-M537 VanDerWaalsContact C-N 3.28Å; F535-M537 PolarHBondContact O-N 2.7Å; M537-F539 VanDerWaalsContact C-N 3.25Å; M537-F539 HydrophobicContact CB-CD2 3.99Å; M537-F539 HydrophobicContact CB-CE2 3.79Å; M537-F539 HydrophobicContact CB-CG 4.44Å; M537-F539 HydrophobicContact CB-CZ 4.08Å; M537-F539 HydrophobicContact CE-CE2 3.91Å; M537-F539 HydrophobicContact CE-CZ 3.77Å; M537-F539 PolarHBondContact O-N 2.87Å; M537-F539 HydrophobicContact SD-CE2 4.05Å
538	G	75.6	Confident	83.9	Confident	42 Å²	42	31.5 Å²	31.5	43%	0.433	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	11.9	179.2	0	0	0	0	0	115.2	F535 D536 E540 P541	F535-G538 WeakPolarHBondContact O-CA 3.48Å; F535-G538 PolarHBondContact O-N 3.01Å; D536-G538 VanDerWaalsContact C-N 3.3Å; G538-E540 PolarHBondContact O-N 2.99Å; G538-P541 WeakPolarHBondContact O-CD 3.27Å
539	F	79.8	Confident	83.7	Confident	39 Å²	39	32.5 Å²	32.5	17%	0.171	17%	0.168	C	C	.	.			trans	-75.5	3.1	177.7	-50.4	-45.3	0	0	0	114.1	P503 M534 M537 Q542 V543	P503-F539 HydrophobicContact CG-CB 4.33Å; M534-F539 HydrophobicContact CB-CB 4.46Å; M534-F539 HydrophobicContact CG-CD2 4.47Å; M534-F539 CarbonylContact O-C 3.59Å; M534-F539 VanDerWaalsContact O-C 3.24Å; M534-F539 WeakPolarHBondContact O-CA 3.4Å; M534-F539 WeakPolarHBondContact O-CB 3.43Å; M534-F539 PolarHBondContact O-N 2.93Å; M537-F539 VanDerWaalsContact C-N 3.25Å; M537-F539 HydrophobicContact CB-CD2 3.99Å; M537-F539 HydrophobicContact CB-CE2 3.79Å; M537-F539 HydrophobicContact CB-CG 4.44Å; M537-F539 HydrophobicContact CB-CZ 4.08Å; M537-F539 HydrophobicContact CE-CE2 3.91Å; M537-F539 HydrophobicContact CE-CZ 3.77Å; M537-F539 PolarHBondContact O-N 2.87Å; M537-F539 HydrophobicContact SD-CE2 4.05Å; F539-Q542 HydrophobicContact CB-CB 4.38Å; F539-Q542 PolarHBondContact O-N 2.91Å; F539-V543 HydrophobicContact CB-CG2 4.49Å; F539-V543 WeakPolarHBondContact O-CG2 3.38Å; F539-V543 PolarHBondContact O-N 2.96Å
540	E	84.3	Confident	83.8	Confident	59 Å²	59	32.3 Å²	32.3	28%	0.276	17%	0.168	S	C	.	.	H	α-helix	trans	-51.5	-51.8	175.6	158.3	159.7	-168.5	0	0	112.3	M534 G538 Q542 V543 M544 L570 R573	M534-E540 PolarHBondContact O-N 3.32Å; G538-E540 PolarHBondContact O-N 2.99Å; E540-Q542 VanDerWaalsContact C-N 3.29Å; E540-Q542 PolarHBondContact O-N 3.01Å; E540-V543 PolarHBondContact O-N 3.19Å; E540-M544 VanDerWaalsContact O-CG 3.32Å; E540-M544 WeakPolarHBondContact O-CG 3.29Å; E540-M544 PolarHBondContact O-N 2.88Å; E540-L570 HydrophobicContact CB-CD1 4.17Å; E540-L570 VanDerWaalsContact CD-CD1 3.43Å; E540-L570 HydrophobicContact CG-CD1 3.5Å; E540-L570 WeakPolarHBondContact OE1-CD1 3.38Å; E540-R573 IonicContact OE1-CZ 3.9Å; E540-R573 IonicContact OE1-NH1 2.7Å; E540-R573 PolarHBondContact OE1-NH1 2.55Å
541	P	87.3	Confident	84.1	Confident	72 Å²	72	31.9 Å²	31.9	47%	0.468	17%	0.165	S	C	.	.	H	α-helix	trans	-62.5	-33.8	176.5	-22.8	35.6	0	0	0	113.1	G538 R545	G538-P541 WeakPolarHBondContact O-CD 3.27Å; P541-R545 VanDerWaalsContact O-CG 3.25Å; P541-R545 WeakPolarHBondContact O-CG 3.23Å; P541-R545 PolarHBondContact O-N 3.22Å
542	Q	89.5	Confident	84.5	Confident	32 Å²	32	36 Å²	36	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-45.4	178	-60.5	-173.7	8.2	0	0	111.6	P503 G504 I507 F539 E540 M544 R545 I546	P503-Q542 HydrophobicContact CB-CB 3.73Å; G504-Q542 VanDerWaalsContact N-OE1 3.1Å; I507-Q542 HydrophobicContact CD1-CB 3.73Å; I507-Q542 HydrophobicContact CD1-CG 4.07Å; F539-Q542 HydrophobicContact CB-CB 4.38Å; F539-Q542 PolarHBondContact O-N 2.91Å; E540-Q542 VanDerWaalsContact C-N 3.29Å; E540-Q542 PolarHBondContact O-N 3.01Å; Q542-M544 VanDerWaalsContact C-N 3.33Å; Q542-M544 PolarHBondContact O-N 3.43Å; Q542-R545 PolarHBondContact O-N 3.41Å; Q542-I546 WeakPolarHBondContact O-CG1 3.34Å; Q542-I546 PolarHBondContact O-N 3.42Å
543	V	90.8	Very high	85.1	Confident	5 Å²	5	39 Å²	39	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-42.5	174.1	172	0	0	0	0	110.3	M451 P503 L528 M534 F539 E540 I546 V547	M451-V543 HydrophobicContact SD-CG1 4.28Å; M451-V543 HydrophobicContact SD-CG2 4.42Å; P503-V543 HydrophobicContact CB-CG2 4.38Å; P503-V543 HydrophobicContact CG-CG2 3.79Å; L528-V543 HydrophobicContact CD1-CG1 4.19Å; L528-V543 HydrophobicContact CD2-CG1 3.95Å; M534-V543 HydrophobicContact CB-CG2 4.33Å; M534-V543 HydrophobicContact SD-CG2 3.91Å; F539-V543 HydrophobicContact CB-CG2 4.49Å; F539-V543 WeakPolarHBondContact O-CG2 3.38Å; F539-V543 PolarHBondContact O-N 2.96Å; E540-V543 PolarHBondContact O-N 3.19Å; V543-I546 PolarHBondContact O-N 3.03Å; V543-V547 HydrophobicContact CG1-CG2 4.05Å; V543-V547 WeakPolarHBondContact O-CB 3.45Å; V543-V547 VanDerWaalsContact O-CG2 3.22Å; V543-V547 WeakPolarHBondContact O-CG2 3.4Å; V543-V547 PolarHBondContact O-N 3.22Å
544	M	89.9	Confident	86	Confident	13 Å²	13	38.4 Å²	38.4	6%	0.064	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-46.3	176.4	-66.1	-48.7	-125.5	0	0	112.4	E540 Q542 I546 V547 D548 L570 R573 I574	E540-M544 VanDerWaalsContact O-CG 3.32Å; E540-M544 WeakPolarHBondContact O-CG 3.29Å; E540-M544 PolarHBondContact O-N 2.88Å; Q542-M544 VanDerWaalsContact C-N 3.33Å; Q542-M544 PolarHBondContact O-N 3.43Å; M544-I546 PolarHBondContact O-N 2.83Å; M544-I546 VanDerWaalsContact O-N 3.13Å; M544-V547 PolarHBondContact O-N 3.33Å; M544-D548 VanDerWaalsContact O-CB 3.28Å; M544-D548 WeakPolarHBondContact O-CB 3.47Å; M544-D548 PolarHBondContact O-N 2.96Å; M544-L570 HydrophobicContact CE-CD1 3.77Å; M544-L570 HydrophobicContact CE-CG 3.88Å; M544-L570 HydrophobicContact CG-CD1 3.99Å; M544-L570 HydrophobicContact SD-CD1 3.71Å; M544-L570 HydrophobicContact SD-CG 4.18Å; M544-R573 HydrophobicContact CE-CB 3.53Å; M544-R573 HydrophobicContact CE-CG 4.27Å; M544-R573 VanDerWaalsContact CE-NE 3.27Å; M544-I574 HydrophobicContact CE-CG2 3.74Å; M544-I574 HydrophobicContact SD-CG2 3.47Å; M544-I574 WeakPolarHBondContact SD-CG2 3.32Å
545	R	90.3	Very high	87.1	Confident	110 Å²	110	38.4 Å²	38.4	42%	0.415	21%	0.206	S	C	.	.	H	α-helix	trans	-51.9	-38.9	174.7	-73.8	168.7	-171.5	173.4	5.1	112.8	I507 P541 Q542 N549	I507-R545 HydrophobicContact CD1-CB 4.25Å; P541-R545 VanDerWaalsContact O-CG 3.25Å; P541-R545 WeakPolarHBondContact O-CG 3.23Å; P541-R545 PolarHBondContact O-N 3.22Å; Q542-R545 PolarHBondContact O-N 3.41Å; R545-N549 PolarHBondContact O-ND2 3.04Å
546	I	92.9	Very high	88.2	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.2	-48.3	176	-62	163.1	0	0	0	110.9	M451 P503 M506 I507 L520 Q542 V543 M544 D548 N549 V550	M451-I546 HydrophobicContact CE-CG2 3.89Å; M451-I546 HydrophobicContact SD-CB 4.07Å; M451-I546 HydrophobicContact SD-CD1 3.82Å; M451-I546 HydrophobicContact SD-CG2 3.79Å; P503-I546 HydrophobicContact CB-CD1 3.91Å; M506-I546 HydrophobicContact CB-CD1 3.89Å; M506-I546 HydrophobicContact CG-CD1 4.04Å; M506-I546 HydrophobicContact CG-CG1 4.37Å; M506-I546 HydrophobicContact CG-CG2 4.48Å; I507-I546 HydrophobicContact CD1-CG1 4.49Å; I507-I546 HydrophobicContact CG1-CD1 4.14Å; I507-I546 HydrophobicContact CG1-CG1 3.86Å; L520-I546 HydrophobicContact CD1-CG2 3.81Å; L520-I546 VanDerWaalsContact CD1-O 3.29Å; L520-I546 WeakPolarHBondContact CD1-O 3.28Å; Q542-I546 WeakPolarHBondContact O-CG1 3.34Å; Q542-I546 PolarHBondContact O-N 3.42Å; V543-I546 PolarHBondContact O-N 3.03Å; M544-I546 PolarHBondContact O-N 2.83Å; M544-I546 VanDerWaalsContact O-N 3.13Å; I546-D548 VanDerWaalsContact C-N 3.33Å; I546-D548 PolarHBondContact O-N 3.26Å; I546-N549 WeakPolarHBondContact O-CB 3.47Å; I546-N549 PolarHBondContact O-N 2.63Å; I546-N549 VanDerWaalsContact O-N 3.09Å; I546-V550 PolarHBondContact O-N 3.34Å
547	V	93.2	Very high	89.7	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-33.1	-176.5	170.6	0	0	0	0	112.4	M451 V543 M544 N549 V550 R554 I574	M451-V547 HydrophobicContact CE-CG2 3.93Å; V543-V547 HydrophobicContact CG1-CG2 4.05Å; V543-V547 WeakPolarHBondContact O-CB 3.45Å; V543-V547 VanDerWaalsContact O-CG2 3.22Å; V543-V547 WeakPolarHBondContact O-CG2 3.4Å; V543-V547 PolarHBondContact O-N 3.22Å; M544-V547 PolarHBondContact O-N 3.33Å; V547-N549 PolarHBondContact O-N 2.82Å; V547-V550 PolarHBondContact O-N 3.24Å; V547-V550 VanDerWaalsContact O-N 3.14Å; V547-R554 VanDerWaalsContact CG1-CZ 3.47Å; V547-R554 PolarHBondContact O-NH1 3.3Å; V547-I574 HydrophobicContact CG1-CG2 4.13Å
548	D	91.9	Very high	91.2	Very high	89 Å²	89	32.3 Å²	32.3	48%	0.476	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.8	175.5	-61.3	-26.8	0	0	0	112.5	H323 M544 I546	H323-D548 PolarHBondContact NE2-O 3.35Å; M544-D548 VanDerWaalsContact O-CB 3.28Å; M544-D548 WeakPolarHBondContact O-CB 3.47Å; M544-D548 PolarHBondContact O-N 2.96Å; I546-D548 VanDerWaalsContact C-N 3.33Å; I546-D548 PolarHBondContact O-N 3.26Å
549	N	91.9	Very high	92.1	Very high	23 Å²	23	30.4 Å²	30.4	12%	0.123	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-10.3	165.1	-92.8	-104.3	0	0	0	112.4	V321 L520 R545 I546 V547	V321-N549 HydrophobicContact CG2-CB 4.48Å; V321-N549 WeakPolarHBondContact CG2-OD1 3.26Å; L520-N549 HydrophobicContact CD1-CB 3.78Å; L520-N549 HydrophobicContact CG-CB 4.44Å; R545-N549 PolarHBondContact O-ND2 3.04Å; I546-N549 WeakPolarHBondContact O-CB 3.47Å; I546-N549 PolarHBondContact O-N 2.63Å; I546-N549 VanDerWaalsContact O-N 3.09Å; V547-N549 PolarHBondContact O-N 2.82Å
550	V	94.5	Very high	92.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.148	C	C	.	.	S	Bend	trans	-96.1	131.8	179.3	-177	0	0	0	0	110.8	H323 L520 V523 V526 I546 V547 R554	H323-V550 PolarHBondContact NE2-O 3.45Å; L520-V550 HydrophobicContact CB-CG2 4.02Å; L520-V550 HydrophobicContact CD1-CG2 3.6Å; L520-V550 HydrophobicContact CG-CG2 4.4Å; V523-V550 HydrophobicContact CB-CG1 3.84Å; V523-V550 HydrophobicContact CB-CG2 4.29Å; V523-V550 HydrophobicContact CG1-CG1 3.7Å; V523-V550 HydrophobicContact CG1-CG2 4.07Å; V523-V550 WeakPolarHBondContact O-CG1 3.28Å; V526-V550 HydrophobicContact CG2-CB 4.5Å; V526-V550 HydrophobicContact CG2-CG1 3.98Å; V526-V550 HydrophobicContact CG2-CG2 4.16Å; I546-V550 PolarHBondContact O-N 3.34Å; V547-V550 PolarHBondContact O-N 3.24Å; V547-V550 VanDerWaalsContact O-N 3.14Å; V550-R554 HydrophobicContact CG1-CB 4.01Å; V550-R554 HydrophobicContact CG1-CG 4.35Å; V550-R554 PolarHBondContact O-NH1 2.93Å
551	R	94.3	Very high	92.6	Very high	8 Å²	8	26.1 Å²	26.1	3%	0.03	14%	0.137	C	C	.	.			trans	-39.3	133.2	176.1	61.3	-171.7	-75	174.7	-0.6	113.5	Y328 E329 V523 D553 R554	Y328-R551 HydrophobicContact CD1-CB 3.94Å; Y328-R551 HydrophobicContact CD2-CB 4.27Å; Y328-R551 HydrophobicContact CE1-CB 3.63Å; Y328-R551 HydrophobicContact CE1-CG 4.46Å; Y328-R551 HydrophobicContact CE2-CB 3.96Å; Y328-R551 HydrophobicContact CG-CB 4.26Å; E329-R551 PolarHBondContact O-NH1 2.98Å; E329-R551 PolarHBondContact O-NH2 3.38Å; V523-R551 WeakPolarHBondContact O-CD 3.21Å; V523-R551 VanDerWaalsContact O-CG 3.26Å; V523-R551 WeakPolarHBondContact O-CG 3.43Å; R551-D553 WeakPolarHBondContact CG-OD1 3.45Å; R551-D553 IonicContact CZ-OD1 3.49Å; R551-D553 IonicContact CZ-OD2 2.7Å; R551-D553 IonicContact NE-OD1 3.79Å; R551-D553 PolarHBondContact NE-OD1 3.35Å; R551-D553 IonicContact NE-OD2 2.75Å; R551-D553 IonicContact NH2-OD1 3.18Å; R551-D553 PolarHBondContact NH2-OD1 3.04Å; R551-D553 IonicContact NH2-OD2 3.77Å; R551-D553 PolarHBondContact NH2-OD2 3.4Å; R551-D553 PolarHBondContact O-N 3.5Å; R551-R554 WeakPolarHBondContact O-CB 3.15Å; R551-R554 WeakPolarHBondContact O-CG 3.22Å; R551-R554 PolarHBondContact O-N 3.4Å; R551-R554 VanDerWaalsContact O-N 3.13Å
552	P	92.6	Very high	92.3	Very high	88 Å²	88	22.7 Å²	22.7	57%	0.571	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20	-169.1	28.1	-36.3	0	0	0	113.2	H323 R554	H323-P552 HydrophobicContact CB-CG 4.43Å; P552-R554 VanDerWaalsContact C-N 3.32Å
553	D	94.6	Very high	92.1	Very high	66 Å²	66	21.3 Å²	21.3	35%	0.353	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12.4	177	74.4	-38.9	0	0	0	113.4	F331 K333 R551	F331-D553 WeakPolarHBondContact CE1-OD2 3.4Å; F331-D553 VanDerWaalsContact CZ-O 3.23Å; F331-D553 WeakPolarHBondContact CZ-O 3.45Å; K333-D553 WeakPolarHBondContact CE-O 3.48Å; K333-D553 PolarHBondContact NZ-O 2.87Å; R551-D553 WeakPolarHBondContact CG-OD1 3.45Å; R551-D553 IonicContact CZ-OD1 3.49Å; R551-D553 IonicContact CZ-OD2 2.7Å; R551-D553 IonicContact NE-OD1 3.79Å; R551-D553 PolarHBondContact NE-OD1 3.35Å; R551-D553 IonicContact NE-OD2 2.75Å; R551-D553 IonicContact NH2-OD1 3.18Å; R551-D553 PolarHBondContact NH2-OD1 3.04Å; R551-D553 IonicContact NH2-OD2 3.77Å; R551-D553 PolarHBondContact NH2-OD2 3.4Å; R551-D553 PolarHBondContact O-N 3.5Å
554	R	95.8	Very high	91.5	Very high	27 Å²	27	21.7 Å²	21.7	10%	0.102	11%	0.111	C	C	.	.	S	Bend	trans	-50.8	168.7	166.3	65.2	-173.1	178.7	-108.8	-4.5	113.9	K333 V547 V550 R551 P552 T556 I574	K333-R554 PolarHBondContact NZ-O 3.17Å; V547-R554 VanDerWaalsContact CG1-CZ 3.47Å; V547-R554 PolarHBondContact O-NH1 3.3Å; V550-R554 HydrophobicContact CG1-CB 4.01Å; V550-R554 HydrophobicContact CG1-CG 4.35Å; V550-R554 PolarHBondContact O-NH1 2.93Å; R551-R554 WeakPolarHBondContact O-CB 3.15Å; R551-R554 WeakPolarHBondContact O-CG 3.22Å; R551-R554 PolarHBondContact O-N 3.4Å; R551-R554 VanDerWaalsContact O-N 3.13Å; P552-R554 VanDerWaalsContact C-N 3.32Å; R554-T556 PolarHBondContact NE-OG1 3.49Å; R554-T556 VanDerWaalsContact NE-OG1 3.16Å; R554-I574 PolarHBondContact NH2-O 3.35Å
555	Q	97.6	Very high	90.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.8	159	-175	175.3	10.3	0	0	109	I406 R410 D411 T524 Y525 V526 V557	I406-Q555 PolarHBondContact O-NE2 3.09Å; R410-Q555 PolarHBondContact O-NE2 3.38Å; D411-Q555 WeakPolarHBondContact OD1-CA 3.04Å; T524-Q555 PolarHBondContact O-N 2.84Å; Y525-Q555 WeakPolarHBondContact CA-O 3.46Å; Y525-Q555 HydrophobicContact CD2-CB 4.33Å; Y525-Q555 HydrophobicContact CD2-CG 4.45Å; V526-Q555 PolarHBondContact N-O 3.31Å; Q555-V557 HydrophobicContact CG-CG2 4.41Å
556	T	97.1	Very high	90.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.6	-178.7	-46.2	0	0	0	0	110.5	D411 L412 V526 R554 I574 L575	D411-T556 WeakPolarHBondContact CA-O 3.46Å; D411-T556 WeakPolarHBondContact CB-O 3.23Å; D411-T556 PolarHBondContact OD1-N 2.87Å; L412-T556 PolarHBondContact N-O 3.5Å; V526-T556 HydrophobicContact CB-CG2 4.42Å; V526-T556 HydrophobicContact CG1-CG2 4.48Å; V526-T556 CarbonylContact O-C 3.54Å; V526-T556 WeakPolarHBondContact O-CA 3.35Å; R554-T556 PolarHBondContact NE-OG1 3.49Å; R554-T556 VanDerWaalsContact NE-OG1 3.16Å; T556-I574 HydrophobicContact CG2-CD1 4.41Å; T556-L575 HydrophobicContact CG2-CD2 3.86Å; T556-L575 HydrophobicContact CG2-CG 4.26Å; T556-L575 WeakPolarHBondContact O-CD2 3.43Å
557	V	96.9	Very high	89.5	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	116.1	-173	173.9	0	0	0	0	109.2	I406 L412 F426 Y525 V526 V527 L528 Q555 F559	I406-V557 HydrophobicContact CD1-CG1 3.9Å; I406-V557 HydrophobicContact CD1-CG2 4.43Å; I406-V557 HydrophobicContact CG1-CG1 4.36Å; I406-V557 HydrophobicContact CG1-CG2 4.15Å; I406-V557 HydrophobicContact CG2-CG2 4.02Å; L412-V557 HydrophobicContact CB-CG1 4.36Å; L412-V557 HydrophobicContact CB-CG2 4.49Å; F426-V557 HydrophobicContact CB-CG1 4.19Å; Y525-V557 HydrophobicContact CE2-CG2 4.16Å; V526-V557 PolarHBondContact O-N 3.45Å; V527-V557 CarbonylContact C-O 3.24Å; V527-V557 VanDerWaalsContact CA-O 3.24Å; V527-V557 WeakPolarHBondContact CA-O 3.36Å; V527-V557 HydrophobicContact CG2-CB 4.49Å; L528-V557 PolarHBondContact N-O 2.92Å; Q555-V557 HydrophobicContact CG-CG2 4.41Å; V557-F559 HydrophobicContact CG1-CD2 3.73Å; V557-F559 HydrophobicContact CG1-CE2 3.43Å; V557-F559 VanDerWaalsContact CG1-CE2 3.43Å
558	M	95.2	Very high	89	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135	-178	-172.4	170.4	68.4	0	0	111.2	L412 I413 G414 L528 A531 F563 M567 A571 I574 L575	L412-M558 PolarHBondContact O-N 2.78Å; I413-M558 CarbonylContact C-O 3.34Å; I413-M558 WeakPolarHBondContact CA-O 3.2Å; I413-M558 HydrophobicContact CD1-CE 4.18Å; I413-M558 HydrophobicContact CG1-CE 4.02Å; I413-M558 HydrophobicContact CG2-CE 4.03Å; G414-M558 PolarHBondContact N-O 2.82Å; L528-M558 HydrophobicContact CB-CB 4.46Å; L528-M558 HydrophobicContact CB-CG 4.09Å; L528-M558 HydrophobicContact CD1-SD 4.39Å; L528-M558 CarbonylContact O-C 3.56Å; L528-M558 WeakPolarHBondContact O-CA 3.41Å; A531-M558 HydrophobicContact CB-CG 3.46Å; A531-M558 VanDerWaalsContact CB-CG 3.46Å; A531-M558 HydrophobicContact CB-SD 3.71Å; M558-F563 HydrophobicContact CE-CE2 3.82Å; M558-M567 HydrophobicContact CE-CG 4.2Å; M558-M567 HydrophobicContact CE-SD 3.48Å; M558-M567 WeakPolarHBondContact CE-SD 3.45Å; M558-M567 HydrophobicContact SD-CG 4.34Å; M558-M567 HydrophobicContact SD-SD 3.84Å; M558-A571 HydrophobicContact CE-CB 3.68Å; M558-I574 HydrophobicContact SD-CD1 4.08Å; M558-L575 HydrophobicContact CB-CD1 4.26Å; M558-L575 HydrophobicContact CE-CD1 4.06Å
559	F	93.7	Very high	88.5	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.4	179.7	-86.2	-80.1	0	0	0	112	I398 A402 I406 L412 G414 K422 A425 F426 L528 E530 A531 V557	I398-F559 HydrophobicContact CD1-CE1 4.13Å; I398-F559 HydrophobicContact CG1-CE1 3.81Å; A402-F559 HydrophobicContact CB-CE1 4.44Å; A402-F559 HydrophobicContact CB-CZ 3.97Å; I406-F559 HydrophobicContact CD1-CE2 4.2Å; I406-F559 HydrophobicContact CD1-CZ 4.37Å; L412-F559 HydrophobicContact CD2-CE1 4.38Å; L412-F559 HydrophobicContact CD2-CE2 4Å; L412-F559 HydrophobicContact CD2-CZ 3.67Å; G414-F559 WeakPolarHBondContact O-CA 3.46Å; G414-F559 WeakPolarHBondContact O-CD1 3.42Å; K422-F559 HydrophobicContact CB-CD1 3.92Å; K422-F559 HydrophobicContact CB-CE1 4.36Å; K422-F559 HydrophobicContact CB-CG 4.38Å; K422-F559 HydrophobicContact CD-CB 4.2Å; K422-F559 HydrophobicContact CD-CD1 3.74Å; K422-F559 HydrophobicContact CD-CG 4.4Å; K422-F559 HydrophobicContact CG-CD1 3.91Å; K422-F559 HydrophobicContact CG-CE1 4.4Å; A425-F559 HydrophobicContact CB-CE1 4.33Å; A425-F559 HydrophobicContact CB-CZ 3.87Å; F426-F559 HydrophobicContact CB-CD2 4.21Å; F426-F559 HydrophobicContact CB-CE2 3.84Å; F426-F559 AromaticContact CD1-CD2 3.6Å; F426-F559 HydrophobicContact CD1-CD2 3.6Å; F426-F559 AromaticContact CD1-CE2 3.92Å; F426-F559 HydrophobicContact CD1-CE2 3.92Å; F426-F559 HydrophobicContact CD1-CG 4.26Å; F426-F559 HydrophobicContact CE1-CD2 4.42Å; F426-F559 HydrophobicContact CG-CD2 4.38Å; F426-F559 HydrophobicContact CG-CE2 4.41Å; L528-F559 PolarHBondContact O-N 3.45Å; E530-F559 PolarHBondContact N-O 3.32Å; A531-F559 PolarHBondContact N-O 3.36Å; A531-F559 VanDerWaalsContact N-O 3.15Å; V557-F559 HydrophobicContact CG1-CD2 3.73Å; V557-F559 HydrophobicContact CG1-CE2 3.43Å; V557-F559 VanDerWaalsContact CG1-CE2 3.43Å
560	S	89.6	Confident	87.9	Confident	3 Å²	3	27.5 Å²	27.5	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	173	171.8	179.2	0	0	0	0	111.4	G414 A416 K422 D532 T562	G414-S560 PolarHBondContact O-N 3.15Å; G414-S560 VanDerWaalsContact O-N 3.1Å; A416-S560 PolarHBondContact N-O 2.96Å; A416-S560 VanDerWaalsContact N-O 3.09Å; K422-S560 WeakPolarHBondContact CD-O 3.26Å; K422-S560 PolarHBondContact NZ-O 3.14Å; D532-S560 PolarHBondContact OD1-OG 3.45Å; S560-T562 VanDerWaalsContact CB-O 3.3Å; S560-T562 WeakPolarHBondContact CB-O 3.37Å; S560-T562 PolarHBondContact OG-N 3.35Å; S560-T562 PolarHBondContact OG-O 3.26Å
561	A	84.7	Confident	87.5	Confident	5 Å²	5	27.6 Å²	27.6	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	-92.9	-19.8	162.2	0	0	0	0	0	113.6	A416 T418	A416-A561 VanDerWaalsContact O-CA 3.23Å; A416-A561 WeakPolarHBondContact O-CA 3.45Å; T418-A561 HydrophobicContact CG2-CB 4.4Å
562	T	81.4	Confident	87.1	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.			trans	-122.6	161.5	-178.3	80.1	0	0	0	0	110	D532 S560 S587 E701	D532-T562 VanDerWaalsContact CB-OG1 3.24Å; D532-T562 WeakPolarHBondContact CB-OG1 3.49Å; D532-T562 PolarHBondContact OD2-OG1 2.86Å; S560-T562 VanDerWaalsContact CB-O 3.3Å; S560-T562 WeakPolarHBondContact CB-O 3.37Å; S560-T562 PolarHBondContact OG-N 3.35Å; S560-T562 PolarHBondContact OG-O 3.26Å; T562-S587 WeakPolarHBondContact CA-OG 3.43Å; T562-S587 WeakPolarHBondContact CB-OG 3.23Å; T562-E701 HydrophobicContact CG2-CB 4.06Å; T562-E701 HydrophobicContact CG2-CG 3.85Å
563	F	84.5	Confident	86.9	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.018	18%	0.18	C	C	.	.			trans	-148.2	73.9	177.9	-160.8	-113.4	0	0	0	110.4	I413 I415 M558 M567 E568 A571 R586 S587	I413-F563 HydrophobicContact CD1-CE2 4.34Å; I413-F563 HydrophobicContact CD1-CZ 4.02Å; I413-F563 HydrophobicContact CG2-CD2 4.12Å; I413-F563 HydrophobicContact CG2-CE2 3.6Å; I413-F563 HydrophobicContact CG2-CZ 4.06Å; I415-F563 HydrophobicContact CD1-CB 3.62Å; I415-F563 HydrophobicContact CD1-CD1 3.8Å; I415-F563 HydrophobicContact CD1-CD2 3.95Å; I415-F563 HydrophobicContact CD1-CG 3.52Å; I415-F563 HydrophobicContact CG1-CB 4.09Å; I415-F563 HydrophobicContact CG1-CD2 4.2Å; I415-F563 HydrophobicContact CG1-CG 4.16Å; I415-F563 HydrophobicContact CG2-CB 4.5Å; M558-F563 HydrophobicContact CE-CE2 3.82Å; F563-M567 HydrophobicContact CD2-CE 4.16Å; F563-M567 HydrophobicContact CD2-CG 4.44Å; F563-M567 HydrophobicContact CD2-SD 3.3Å; F563-M567 WeakPolarHBondContact CD2-SD 3.42Å; F563-M567 HydrophobicContact CE2-CG 4.23Å; F563-M567 HydrophobicContact CE2-SD 3.37Å; F563-M567 WeakPolarHBondContact CE2-SD 3.42Å; F563-M567 HydrophobicContact CG-SD 4.5Å; F563-E568 HydrophobicContact CE1-CB 4.11Å; F563-E568 HydrophobicContact CE1-CG 3.94Å; F563-E568 HydrophobicContact CZ-CB 4.19Å; F563-E568 HydrophobicContact CZ-CG 4.12Å; F563-A571 HydrophobicContact CZ-CB 4.5Å; F563-R586 HydrophobicContact CB-CG 4.47Å; F563-R586 PolarHBondContact O-NE 3.49Å; F563-R586 PolarHBondContact O-NH2 3.25Å; F563-S587 PolarHBondContact N-OG 2.79Å
564	P	78.6	Confident	86.7	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.078	17%	0.165	C	C	.	.			trans	-66.8	164	176.6	28.3	-34.9	0	0	0	111.8	A566 M567 E568 F773	P564-A566 VanDerWaalsContact C-N 3.29Å; P564-A566 PolarHBondContact O-N 2.81Å; P564-M567 HydrophobicContact CG-CB 4.17Å; P564-M567 PolarHBondContact O-N 3.14Å; P564-E568 PolarHBondContact O-N 3.3Å; P564-F773 HydrophobicContact CB-CB 4.17Å; P564-F773 HydrophobicContact CG-CD2 4.28Å
565	R	77.6	Confident	86.5	Confident	197 Å²	197	35.8 Å²	35.8	74%	0.743	16%	0.163	S	C	*	.	H	α-helix	trans	-64	-32.4	-179.1	-77.2	-174.8	173.8	-173.2	-1.8	113.1	E568	R565-E568 WeakPolarHBondContact O-CB 3.11Å; R565-E568 PolarHBondContact O-N 2.94Å
566	A	73	Confident	86.3	Confident	34 Å²	34	39.7 Å²	39.7	28%	0.281	19%	0.191	S	C	.	.	H	α-helix	trans	-60.7	-43.3	175	0	0	0	0	0	111.9	P564 E568 A569 F773	P564-A566 VanDerWaalsContact C-N 3.29Å; P564-A566 PolarHBondContact O-N 2.81Å; A566-E568 VanDerWaalsContact C-N 3.25Å; A566-E568 PolarHBondContact O-N 2.92Å; A566-A569 WeakPolarHBondContact O-CB 3.36Å; A566-A569 PolarHBondContact O-N 2.87Å; A566-A569 VanDerWaalsContact O-N 3.09Å; A566-F773 HydrophobicContact CB-CB 3.93Å; A566-F773 HydrophobicContact CB-CD1 3.3Å; A566-F773 HydrophobicContact CB-CE1 3.99Å; A566-F773 HydrophobicContact CB-CG 3.77Å
567	M	80.8	Confident	86.1	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-38.3	177	-164.7	-154.5	-70.8	0	0	112.1	A531 D532 F535 M558 F563 P564 A569 L570 A571	A531-M567 HydrophobicContact CB-CE 4.28Å; A531-M567 HydrophobicContact CB-SD 4.44Å; D532-M567 VanDerWaalsContact CA-CE 3.46Å; D532-M567 HydrophobicContact CB-CE 3.5Å; D532-M567 VanDerWaalsContact CB-CE 3.5Å; D532-M567 VanDerWaalsContact N-CE 3.34Å; F535-M567 HydrophobicContact CE1-CB 4.3Å; F535-M567 HydrophobicContact CE1-CG 4.21Å; F535-M567 HydrophobicContact CE2-CB 4.5Å; F535-M567 HydrophobicContact CE2-CG 3.7Å; F535-M567 HydrophobicContact CZ-CB 4.02Å; F535-M567 HydrophobicContact CZ-CG 3.44Å; F535-M567 VanDerWaalsContact CZ-CG 3.44Å; M558-M567 HydrophobicContact CE-CG 4.2Å; M558-M567 HydrophobicContact CE-SD 3.48Å; M558-M567 WeakPolarHBondContact CE-SD 3.45Å; M558-M567 HydrophobicContact SD-CG 4.34Å; M558-M567 HydrophobicContact SD-SD 3.84Å; F563-M567 HydrophobicContact CD2-CE 4.16Å; F563-M567 HydrophobicContact CD2-CG 4.44Å; F563-M567 HydrophobicContact CD2-SD 3.3Å; F563-M567 WeakPolarHBondContact CD2-SD 3.42Å; F563-M567 HydrophobicContact CE2-CG 4.23Å; F563-M567 HydrophobicContact CE2-SD 3.37Å; F563-M567 WeakPolarHBondContact CE2-SD 3.42Å; F563-M567 HydrophobicContact CG-SD 4.5Å; P564-M567 HydrophobicContact CG-CB 4.17Å; P564-M567 PolarHBondContact O-N 3.14Å; M567-A569 PolarHBondContact O-N 2.82Å; M567-A569 VanDerWaalsContact O-N 3.16Å; M567-L570 PolarHBondContact O-N 2.81Å; M567-A571 VanDerWaalsContact O-CB 3.26Å; M567-A571 WeakPolarHBondContact O-CB 3.5Å; M567-A571 PolarHBondContact O-N 3.43Å
568	E	82.4	Confident	86	Confident	63 Å²	63	49.7 Å²	49.7	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-60.2	-26.3	179.7	-157.2	-174	131	0	0	112.8	F563 P564 R565 A566 R572 R586	F563-E568 HydrophobicContact CE1-CB 4.11Å; F563-E568 HydrophobicContact CE1-CG 3.94Å; F563-E568 HydrophobicContact CZ-CB 4.19Å; F563-E568 HydrophobicContact CZ-CG 4.12Å; P564-E568 PolarHBondContact O-N 3.3Å; R565-E568 WeakPolarHBondContact O-CB 3.11Å; R565-E568 PolarHBondContact O-N 2.94Å; A566-E568 VanDerWaalsContact C-N 3.25Å; A566-E568 PolarHBondContact O-N 2.92Å; E568-R572 VanDerWaalsContact O-CD 3.23Å; E568-R572 WeakPolarHBondContact O-CD 3.17Å; E568-R572 WeakPolarHBondContact O-CG 3.36Å; E568-R572 PolarHBondContact O-N 2.84Å; E568-R572 IonicContact OE1-CZ 3.66Å; E568-R572 IonicContact OE1-NE 2.82Å; E568-R572 IonicContact OE1-NH2 2.78Å; E568-R572 PolarHBondContact OE1-NH2 3.43Å; E568-R586 IonicContact OE2-NH2 2.73Å
569	A	81.5	Confident	86.1	Confident	59 Å²	59	49.7 Å²	49.7	49%	0.488	24%	0.238	S	C	.	.	H	α-helix	trans	-71	-53.4	177.5	0	0	0	0	0	112.2	A566 M567 A571 R572 R573	A566-A569 WeakPolarHBondContact O-CB 3.36Å; A566-A569 PolarHBondContact O-N 2.87Å; A566-A569 VanDerWaalsContact O-N 3.09Å; M567-A569 PolarHBondContact O-N 2.82Å; M567-A569 VanDerWaalsContact O-N 3.16Å; A569-A571 VanDerWaalsContact C-N 3.34Å; A569-R572 WeakPolarHBondContact O-CB 3.46Å; A569-R572 PolarHBondContact O-N 3.31Å; A569-R573 PolarHBondContact O-N 2.84Å
570	L	78.6	Confident	86.1	Confident	2 Å²	2	51 Å²	51	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-33.9	175.2	176.4	144.3	0	0	0	111.7	F535 E540 M544 M567 R572 R573 I574	F535-L570 HydrophobicContact CE1-CB 3.39Å; F535-L570 HydrophobicContact CE1-CD1 4.25Å; F535-L570 HydrophobicContact CE1-CD2 4.21Å; F535-L570 HydrophobicContact CE1-CG 4.14Å; F535-L570 HydrophobicContact CE2-CD2 3.97Å; F535-L570 HydrophobicContact CZ-CB 3.5Å; F535-L570 VanDerWaalsContact CZ-CB 3.5Å; F535-L570 HydrophobicContact CZ-CD1 4.23Å; F535-L570 HydrophobicContact CZ-CD2 3.47Å; F535-L570 VanDerWaalsContact CZ-CD2 3.47Å; F535-L570 HydrophobicContact CZ-CG 3.91Å; E540-L570 HydrophobicContact CB-CD1 4.17Å; E540-L570 VanDerWaalsContact CD-CD1 3.43Å; E540-L570 HydrophobicContact CG-CD1 3.5Å; E540-L570 WeakPolarHBondContact OE1-CD1 3.38Å; M544-L570 HydrophobicContact CE-CD1 3.77Å; M544-L570 HydrophobicContact CE-CG 3.88Å; M544-L570 HydrophobicContact CG-CD1 3.99Å; M544-L570 HydrophobicContact SD-CD1 3.71Å; M544-L570 HydrophobicContact SD-CG 4.18Å; M567-L570 PolarHBondContact O-N 2.81Å; L570-R572 PolarHBondContact O-N 2.79Å; L570-R572 VanDerWaalsContact O-N 3.13Å; L570-R573 CarbonylContact O-C 3.59Å; L570-R573 WeakPolarHBondContact O-CA 3.32Å; L570-R573 VanDerWaalsContact O-CB 3.31Å; L570-R573 WeakPolarHBondContact O-CB 3.38Å; L570-R573 PolarHBondContact O-N 3Å; L570-I574 HydrophobicContact CD2-CB 4.46Å; L570-I574 HydrophobicContact CD2-CD1 3.78Å; L570-I574 HydrophobicContact CD2-CG1 3.81Å; L570-I574 HydrophobicContact CD2-CG2 3.78Å; L570-I574 HydrophobicContact CG-CG2 4.09Å; L570-I574 VanDerWaalsContact O-CG1 3.32Å; L570-I574 WeakPolarHBondContact O-CG1 3.36Å; L570-I574 PolarHBondContact O-N 2.97Å
571	A	87.1	Confident	86.4	Confident	3 Å²	3	50.9 Å²	50.9	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-52.1	-38.3	173.7	0	0	0	0	0	112	I413 M558 F563 M567 A569 R573 L575	I413-A571 HydrophobicContact CD1-CB 4.03Å; M558-A571 HydrophobicContact CE-CB 3.68Å; F563-A571 HydrophobicContact CZ-CB 4.5Å; M567-A571 VanDerWaalsContact O-CB 3.26Å; M567-A571 WeakPolarHBondContact O-CB 3.5Å; M567-A571 PolarHBondContact O-N 3.43Å; A569-A571 VanDerWaalsContact C-N 3.34Å; A571-R573 VanDerWaalsContact C-N 3.35Å; A571-L575 HydrophobicContact CB-CD1 4.11Å; A571-L575 WeakPolarHBondContact O-CB 3.21Å; A571-L575 WeakPolarHBondContact O-CD1 3.29Å; A571-L575 PolarHBondContact O-N 2.82Å; A571-L575 VanDerWaalsContact O-N 3.14Å
572	R	86.4	Confident	86.8	Confident	187 Å²	187	51.9 Å²	51.9	71%	0.706	25%	0.247	S	C	*	.	H	α-helix	trans	-73.6	-20	174.7	-65.7	159.8	179.4	-130.8	5.9	114.1	E568 A569 L570	E568-R572 VanDerWaalsContact O-CD 3.23Å; E568-R572 WeakPolarHBondContact O-CD 3.17Å; E568-R572 WeakPolarHBondContact O-CG 3.36Å; E568-R572 PolarHBondContact O-N 2.84Å; E568-R572 IonicContact OE1-CZ 3.66Å; E568-R572 IonicContact OE1-NE 2.82Å; E568-R572 IonicContact OE1-NH2 2.78Å; E568-R572 PolarHBondContact OE1-NH2 3.43Å; A569-R572 WeakPolarHBondContact O-CB 3.46Å; A569-R572 PolarHBondContact O-N 3.31Å; L570-R572 PolarHBondContact O-N 2.79Å; L570-R572 VanDerWaalsContact O-N 3.13Å
573	R	87.3	Confident	87.2	Confident	156 Å²	156	52.1 Å²	52.1	59%	0.589	25%	0.249	S	C	*	.	H	α-helix	trans	-80.8	-43	172.8	-61.8	170.3	66.8	-170.5	2	111.6	E540 M544 A569 L570 A571	E540-R573 IonicContact OE1-CZ 3.9Å; E540-R573 IonicContact OE1-NH1 2.7Å; E540-R573 PolarHBondContact OE1-NH1 2.55Å; M544-R573 HydrophobicContact CE-CB 3.53Å; M544-R573 HydrophobicContact CE-CG 4.27Å; M544-R573 VanDerWaalsContact CE-NE 3.27Å; A569-R573 PolarHBondContact O-N 2.84Å; L570-R573 CarbonylContact O-C 3.59Å; L570-R573 WeakPolarHBondContact O-CA 3.32Å; L570-R573 VanDerWaalsContact O-CB 3.31Å; L570-R573 WeakPolarHBondContact O-CB 3.38Å; L570-R573 PolarHBondContact O-N 3Å; A571-R573 VanDerWaalsContact C-N 3.35Å
574	I	90.6	Very high	87.1	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-89.2	-27.6	-172.2	56.9	155.7	0	0	0	115.8	L528 M544 V547 R554 T556 M558 L570	L528-I574 HydrophobicContact CD1-CD1 3.37Å; M544-I574 HydrophobicContact CE-CG2 3.74Å; M544-I574 HydrophobicContact SD-CG2 3.47Å; M544-I574 WeakPolarHBondContact SD-CG2 3.32Å; V547-I574 HydrophobicContact CG1-CG2 4.13Å; R554-I574 PolarHBondContact NH2-O 3.35Å; T556-I574 HydrophobicContact CG2-CD1 4.41Å; M558-I574 HydrophobicContact SD-CD1 4.08Å; L570-I574 HydrophobicContact CD2-CB 4.46Å; L570-I574 HydrophobicContact CD2-CD1 3.78Å; L570-I574 HydrophobicContact CD2-CG1 3.81Å; L570-I574 HydrophobicContact CD2-CG2 3.78Å; L570-I574 HydrophobicContact CG-CG2 4.09Å; L570-I574 VanDerWaalsContact O-CG1 3.32Å; L570-I574 WeakPolarHBondContact O-CG1 3.36Å; L570-I574 PolarHBondContact O-N 2.97Å
575	L	92.9	Very high	86.8	Confident	12 Å²	12	55 Å²	55	6%	0.063	28%	0.281	C	S	.	.			trans	-111	132.9	-170.3	-66	144.2	0	0	0	112.3	D411 I413 T556 M558 A571 P578	D411-L575 HydrophobicContact CB-CB 4.35Å; D411-L575 HydrophobicContact CB-CD2 3.79Å; D411-L575 WeakPolarHBondContact OD2-CA 3.23Å; I413-L575 HydrophobicContact CD1-CD1 3.93Å; I413-L575 HydrophobicContact CG1-CD1 3.63Å; T556-L575 HydrophobicContact CG2-CD2 3.86Å; T556-L575 HydrophobicContact CG2-CG 4.26Å; T556-L575 WeakPolarHBondContact O-CD2 3.43Å; M558-L575 HydrophobicContact CB-CD1 4.26Å; M558-L575 HydrophobicContact CE-CD1 4.06Å; A571-L575 HydrophobicContact CB-CD1 4.11Å; A571-L575 WeakPolarHBondContact O-CB 3.21Å; A571-L575 WeakPolarHBondContact O-CD1 3.29Å; A571-L575 PolarHBondContact O-N 2.82Å; A571-L575 VanDerWaalsContact O-N 3.14Å; L575-P578 HydrophobicContact CB-CB 4.05Å; L575-P578 HydrophobicContact CB-CG 3.86Å; L575-P578 HydrophobicContact CD2-CB 4.45Å
576	S	92.7	Very high	86.4	Confident	84 Å²	84	50 Å²	50	59%	0.587	26%	0.262	S	S	*	.	S	Bend	trans	-94.1	105	-179.7	-168.1	0	0	0	0	112.2	D411	D411-S576 PolarHBondContact OD2-N 3.08Å
577	K	92.7	Very high	86.3	Confident	174 Å²	174	48.7 Å²	48.7	76%	0.757	25%	0.251	S	S	*	.	S	Bend	trans	48.8	53.5	178.9	-60.2	167.8	-176.3	164.8	0	112.5	R410	R410-K577 PolarHBondContact NH2-O 3.39Å
578	P	95.4	Very high	86.2	Confident	38 Å²	38	49.7 Å²	49.7	25%	0.247	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.5	163.2	-171.5	26.8	-35.6	0	0	0	113.7	D411 I413 L575	D411-P578 HydrophobicContact CB-CB 4.1Å; D411-P578 CarbonylContact O-C 3.47Å; D411-P578 VanDerWaalsContact O-CA 3.26Å; D411-P578 WeakPolarHBondContact O-CA 3.45Å; I413-P578 HydrophobicContact CD1-CG 4.16Å; I413-P578 HydrophobicContact CG1-CB 4.23Å; I413-P578 HydrophobicContact CG1-CG 4.42Å; L575-P578 HydrophobicContact CB-CB 4.05Å; L575-P578 HydrophobicContact CB-CG 3.86Å; L575-P578 HydrophobicContact CD2-CB 4.45Å
579	I	96.1	Very high	86.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.9	162	-62	166.4	0	0	0	107.5	V362 C367 A405 R410 D411 L412 I413 V581	V362-I579 HydrophobicContact CG1-CG2 4.11Å; C367-I579 HydrophobicContact CB-CD1 4.07Å; C367-I579 HydrophobicContact CB-CG1 4.4Å; C367-I579 HydrophobicContact CB-CG2 3.84Å; A405-I579 HydrophobicContact CB-CD1 4.03Å; R410-I579 HydrophobicContact CB-CD1 3.81Å; R410-I579 HydrophobicContact CB-CG1 4.43Å; R410-I579 HydrophobicContact CG-CD1 4.04Å; D411-I579 PolarHBondContact O-N 2.92Å; L412-I579 CarbonylContact C-O 3.46Å; L412-I579 WeakPolarHBondContact CA-O 3.4Å; L412-I579 HydrophobicContact CD1-CB 4.22Å; L412-I579 HydrophobicContact CD1-CG2 4.34Å; I413-I579 PolarHBondContact N-O 3.32Å; I579-V581 HydrophobicContact CG2-CG2 3.93Å
580	E	95.3	Very high	86.1	Confident	29 Å²	29	44.5 Å²	44.5	14%	0.136	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.6	171.3	-160.2	-162.8	140.2	0	0	108.9	V362 K363 I413 I415	V362-E580 CarbonylContact C-O 3.57Å; V362-E580 VanDerWaalsContact CA-O 3.32Å; V362-E580 WeakPolarHBondContact CA-O 3.19Å; K363-E580 HydrophobicContact CB-CB 3.95Å; K363-E580 VanDerWaalsContact CD-OE2 3.29Å; K363-E580 WeakPolarHBondContact CD-OE2 3.46Å; K363-E580 HydrophobicContact CG-CB 4.28Å; K363-E580 PolarHBondContact N-O 2.85Å; K363-E580 IonicContact NZ-OE1 3.6Å; K363-E580 PolarHBondContact NZ-OE1 3.38Å; K363-E580 IonicContact NZ-OE2 2.74Å; K363-E580 PolarHBondContact NZ-OE2 2.87Å; K363-E580 PolarHBondContact O-N 2.94Å; I413-E580 HydrophobicContact CB-CG 4.14Å; I413-E580 HydrophobicContact CG2-CG 4.2Å; I413-E580 WeakPolarHBondContact O-CA 3.32Å; I415-E580 HydrophobicContact CD1-CG 4.17Å; I415-E580 WeakPolarHBondContact CD1-OE1 3.44Å
581	V	94.9	Very high	86.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.4	175.7	178.1	0	0	0	0	107.6	I360 I398 Q401 L412 I413 G414 I415 I579	I360-V581 HydrophobicContact CG2-CG1 4.03Å; I398-V581 HydrophobicContact CD1-CG1 3.91Å; Q401-V581 HydrophobicContact CB-CG1 3.8Å; Q401-V581 HydrophobicContact CG-CB 4.43Å; Q401-V581 HydrophobicContact CG-CG1 3.65Å; Q401-V581 HydrophobicContact CG-CG2 3.83Å; L412-V581 HydrophobicContact CD1-CG2 3.81Å; I413-V581 PolarHBondContact O-N 3.03Å; G414-V581 WeakPolarHBondContact CA-O 3.47Å; I415-V581 PolarHBondContact N-O 3.38Å; I579-V581 HydrophobicContact CG2-CG2 3.93Å
582	Q	92.9	Very high	86.2	Confident	26 Å²	26	51.3 Å²	51.3	12%	0.121	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.5	177.9	177.5	-162.7	-46.4	0	0	109.4	T361 I415 G584	T361-Q582 PolarHBondContact N-O 3.5Å; T361-Q582 PolarHBondContact O-N 3.1Å; T361-Q582 WeakPolarHBondContact OG1-CB 3.22Å; T361-Q582 PolarHBondContact OG1-O 3.21Å; I415-Q582 HydrophobicContact CB-CB 4.16Å; I415-Q582 HydrophobicContact CB-CG 4.16Å; I415-Q582 HydrophobicContact CD1-CB 4.39Å; I415-Q582 HydrophobicContact CG2-CG 4.16Å; I415-Q582 CarbonylContact O-C 3.57Å; I415-Q582 WeakPolarHBondContact O-CA 3.46Å; Q582-G584 PolarHBondContact NE2-O 3.25Å
583	V	89.7	Confident	86.3	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.036	24%	0.235	C	C	.	.			trans	-106.5	128	175.1	177.5	0	0	0	0	109	E358 I360 P397 I398 I415 A416	E358-V583 HydrophobicContact CB-CG1 3.82Å; I360-V583 HydrophobicContact CG1-CG2 4.27Å; I360-V583 HydrophobicContact CG2-CG2 4.45Å; P397-V583 HydrophobicContact CB-CG1 3.68Å; P397-V583 HydrophobicContact CB-CG2 4.31Å; I398-V583 HydrophobicContact CB-CG2 3.93Å; I398-V583 HydrophobicContact CD1-CG2 3.96Å; I415-V583 PolarHBondContact O-N 2.98Å; A416-V583 HydrophobicContact CB-CB 4.05Å; A416-V583 HydrophobicContact CB-CG2 4.47Å
584	G	82.4	Confident	86.6	Confident	31 Å²	31	39.3 Å²	39.3	32%	0.32	23%	0.226	S	C	.	.	S	Bend	trans	66.9	-161.2	-173.1	0	0	0	0	0	113.3	E358 Q582	E358-G584 WeakPolarHBondContact O-CA 3.38Å; E358-G584 PolarHBondContact O-N 3.06Å; Q582-G584 PolarHBondContact NE2-O 3.25Å
585	G	72.7	Confident	86.7	Confident	44 Å²	44	39.2 Å²	39.2	45%	0.454	23%	0.226	S	C	.	.	S	Bend	trans	-71.3	152.8	176.1	0	0	0	0	0	113.2	S587	G585-S587 PolarHBondContact O-N 2.99Å
586	R	69.9	Low	86.8	Confident	92 Å²	92	42 Å²	42	35%	0.347	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	118	176.4	-175.3	177.7	-176.9	159.9	1.7	109.2	F563 E568 V588	F563-R586 HydrophobicContact CB-CG 4.47Å; F563-R586 PolarHBondContact O-NE 3.49Å; F563-R586 PolarHBondContact O-NH2 3.25Å; E568-R586 IonicContact OE2-NH2 2.73Å; R586-V588 PolarHBondContact O-N 2.77Å
587	S	70.9	Confident	86.9	Confident	7 Å²	7	38.3 Å²	38.3	5%	0.049	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	32.1	179.8	-49.7	0	0	0	0	115.4	T562 F563 G585 Y700 V704	T562-S587 WeakPolarHBondContact CA-OG 3.43Å; T562-S587 WeakPolarHBondContact CB-OG 3.23Å; F563-S587 PolarHBondContact N-OG 2.79Å; G585-S587 PolarHBondContact O-N 2.99Å; S587-Y700 PolarHBondContact O-OH 3.37Å; S587-V704 WeakPolarHBondContact O-CG2 3.24Å
588	V	78.9	Confident	87	Confident	25 Å²	25	32 Å²	32	15%	0.152	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-94.7	144.2	-177.4	-175.7	0	0	0	0	112.1	R586 L740	R586-V588 PolarHBondContact O-N 2.77Å; V588-L740 HydrophobicContact CG1-CB 4.13Å; V588-L740 WeakPolarHBondContact CG1-O 3.19Å; V588-L740 HydrophobicContact CG2-CB 3.89Å; V588-L740 HydrophobicContact CG2-CD1 4.34Å
589	V	80	Confident	87	Confident	8 Å²	8	32.3 Å²	32.3	5%	0.048	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-66.1	152	175.6	-174.2	0	0	0	0	110.8	S591 V593 Q595 Y703 V704 A707	V589-S591 PolarHBondContact O-N 3.29Å; V589-V593 HydrophobicContact CG1-CB 4.21Å; V589-V593 HydrophobicContact CG1-CG2 4.49Å; V589-Q595 HydrophobicContact CG1-CG 4.33Å; V589-Y703 HydrophobicContact CG2-CD1 4.33Å; V589-Y703 HydrophobicContact CG2-CE1 4.13Å; V589-V704 HydrophobicContact CG2-CB 4.26Å; V589-V704 HydrophobicContact CG2-CG1 4.23Å; V589-V704 HydrophobicContact CG2-CG2 3.87Å; V589-A707 HydrophobicContact CG1-CB 3.99Å
590	C	79.9	Confident	86.9	Confident	4 Å²	4	33.4 Å²	33.4	3%	0.027	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-65.4	131.7	177.7	-169.5	0	0	0	0	111	K417 D592 V593	K417-C590 HydrophobicContact CD-CB 4.18Å; C590-D592 PolarHBondContact O-N 3.01Å; C590-D592 VanDerWaalsContact O-N 3.08Å; C590-D592 PolarHBondContact SG-OD2 2.81Å; C590-V593 HydrophobicContact CB-CG2 4.18Å; C590-V593 WeakPolarHBondContact O-CB 3.21Å; C590-V593 PolarHBondContact O-N 3.07Å
591	S	81.4	Confident	86.9	Confident	92 Å²	92	37 Å²	37	64%	0.643	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.6	175.3	52	0	0	0	0	114.5	V589 V593	V589-S591 PolarHBondContact O-N 3.29Å; S591-V593 VanDerWaalsContact C-N 3.26Å
592	D	86.3	Confident	86.6	Confident	57 Å²	57	41.5 Å²	41.5	31%	0.305	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.1	176.2	-53	-47	0	0	0	112.5	C590 K716 G717	C590-D592 PolarHBondContact O-N 3.01Å; C590-D592 VanDerWaalsContact O-N 3.08Å; C590-D592 PolarHBondContact SG-OD2 2.81Å; D592-K716 CarbonylContact O-C 3.59Å; D592-K716 WeakPolarHBondContact O-CA 3.45Å; D592-G717 PolarHBondContact O-N 3.15Å
593	V	90.4	Very high	86.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.4	173.9	-175.1	0	0	0	0	109.8	V589 C590 S591 Q595 T710 G717 A719	V589-V593 HydrophobicContact CG1-CB 4.21Å; V589-V593 HydrophobicContact CG1-CG2 4.49Å; C590-V593 HydrophobicContact CB-CG2 4.18Å; C590-V593 WeakPolarHBondContact O-CB 3.21Å; C590-V593 PolarHBondContact O-N 3.07Å; S591-V593 VanDerWaalsContact C-N 3.26Å; V593-Q595 HydrophobicContact CG1-CG 4.13Å; V593-Q595 PolarHBondContact O-N 3.21Å; V593-T710 HydrophobicContact CG1-CG2 4.11Å; V593-T710 HydrophobicContact CG2-CG2 4.18Å; V593-G717 WeakPolarHBondContact CA-O 3.19Å; V593-A719 HydrophobicContact CG1-CB 3.49Å; V593-A719 VanDerWaalsContact CG1-CB 3.49Å
594	E	92.4	Very high	86.8	Confident	87 Å²	87	53.1 Å²	53.1	41%	0.407	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.6	165.9	-167.3	-179.7	132.4	0	0	108.9	Q596 G717 Y718 A719	E594-Q596 PolarHBondContact OE1-NE2 2.78Å; E594-G717 PolarHBondContact N-O 3.48Å; E594-Y718 HydrophobicContact CB-CD1 3.9Å; E594-Y718 HydrophobicContact CB-CE1 4.25Å; E594-Y718 HydrophobicContact CG-CD1 4.5Å; E594-Y718 CarbonylContact O-C 3.3Å; E594-Y718 WeakPolarHBondContact O-CA 3.14Å; E594-A719 PolarHBondContact O-N 2.88Å
595	Q	93.9	Very high	87.4	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.014	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.2	-177.9	-68.6	158	98.5	0	0	109.5	V589 V593 Y703 A719 L738 S741 T743	V589-Q595 HydrophobicContact CG1-CG 4.33Å; V593-Q595 HydrophobicContact CG1-CG 4.13Å; V593-Q595 PolarHBondContact O-N 3.21Å; Q595-Y703 PolarHBondContact OE1-OH 3.16Å; Q595-A719 WeakPolarHBondContact CA-O 3.49Å; Q595-A719 HydrophobicContact CG-CB 4.28Å; Q595-L738 HydrophobicContact CB-CD2 3.6Å; Q595-S741 PolarHBondContact NE2-OG 3.49Å; Q595-T743 HydrophobicContact CB-CG2 4.36Å; Q595-T743 PolarHBondContact NE2-OG1 3.37Å; Q595-T743 WeakPolarHBondContact O-CG2 3.4Å
596	Q	93.9	Very high	88.5	Confident	70 Å²	70	52.4 Å²	52.4	33%	0.327	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129	179.5	-63.6	-66.5	-7	0	0	108.3	E594 A719 Y720 T721	E594-Q596 PolarHBondContact OE1-NE2 2.78Å; Q596-A719 PolarHBondContact N-O 2.86Å; Q596-Y720 HydrophobicContact CB-CD1 3.71Å; Q596-Y720 HydrophobicContact CB-CD2 4.47Å; Q596-Y720 HydrophobicContact CB-CE1 3.67Å; Q596-Y720 HydrophobicContact CB-CE2 4.46Å; Q596-Y720 HydrophobicContact CB-CG 4.14Å; Q596-Y720 HydrophobicContact CG-CD1 4.47Å; Q596-Y720 HydrophobicContact CG-CE1 3.99Å; Q596-Y720 HydrophobicContact CG-CE2 4.33Å; Q596-Y720 CarbonylContact O-C 3.51Å; Q596-Y720 VanDerWaalsContact O-CA 3.31Å; Q596-Y720 WeakPolarHBondContact O-CA 3.47Å; Q596-T721 PolarHBondContact O-N 3.32Å
597	V	95.3	Very high	89.7	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.7	-179.1	-173.1	0	0	0	0	108.4	T721 I723 I734 L738 P746 L749	V597-T721 WeakPolarHBondContact CA-O 3.33Å; V597-I723 HydrophobicContact CG1-CG2 3.98Å; V597-I734 HydrophobicContact CG1-CG2 4.25Å; V597-I734 HydrophobicContact CG2-CG2 3.72Å; V597-L738 HydrophobicContact CG2-CD1 3.99Å; V597-L738 HydrophobicContact CG2-CD2 4.35Å; V597-P746 HydrophobicContact CB-CG 4.27Å; V597-P746 WeakPolarHBondContact O-CG 3.36Å; V597-L749 HydrophobicContact CB-CD2 4.14Å; V597-L749 HydrophobicContact CG1-CD1 4.01Å; V597-L749 HydrophobicContact CG1-CD2 3.89Å; V597-L749 HydrophobicContact CG2-CD2 4.47Å
598	I	94.7	Very high	90.9	Very high	42 Å²	42	56.1 Å²	56.1	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.9	-173.6	-52.4	-177.8	0	0	0	107.6	I600 K608 Y720 T721 F722 I723	I598-I600 HydrophobicContact CG2-CB 4.25Å; I598-K608 HydrophobicContact CD1-CG 4.4Å; I598-Y720 HydrophobicContact CD1-CD1 4.03Å; I598-Y720 HydrophobicContact CD1-CE1 4.37Å; I598-T721 PolarHBondContact N-O 3.44Å; I598-F722 HydrophobicContact CB-CD1 4.42Å; I598-F722 HydrophobicContact CD1-CE1 4.37Å; I598-I723 PolarHBondContact O-N 3.07Å
599	V	95.2	Very high	91.7	Very high	43 Å²	43	55 Å²	55	26%	0.261	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	122.2	167.5	-174.8	0	0	0	0	107.4	I723 D748 L749 L752	V599-I723 CarbonylContact C-O 3.59Å; V599-I723 WeakPolarHBondContact CA-O 3.15Å; V599-I723 HydrophobicContact CG2-CG2 4.02Å; V599-D748 HydrophobicContact CB-CB 4.27Å; V599-D748 HydrophobicContact CG2-CB 3.92Å; V599-L749 HydrophobicContact CG2-CB 4.43Å; V599-L752 HydrophobicContact CG1-CD2 4.19Å; V599-L752 HydrophobicContact CG2-CD2 4.2Å
600	I	94.6	Very high	92.4	Very high	24 Å²	24	56.4 Å²	56.4	12%	0.123	28%	0.282	C	S	.	.			trans	-155.3	141.9	-170	-168.3	164.7	0	0	0	111.2	I598 K604 K605 K608 F722 I723 T724	I598-I600 HydrophobicContact CG2-CB 4.25Å; I600-K604 HydrophobicContact CD1-CB 3.88Å; I600-K604 HydrophobicContact CG1-CB 3.67Å; I600-K605 HydrophobicContact CG2-CG 3.88Å; I600-K608 HydrophobicContact CD1-CB 3.6Å; I600-K608 HydrophobicContact CD1-CG 3.95Å; I600-F722 HydrophobicContact CG2-CB 3.75Å; I600-F722 HydrophobicContact CG2-CD1 4.38Å; I600-F722 HydrophobicContact CG2-CG 4.1Å; I600-I723 PolarHBondContact N-O 3.14Å; I600-T724 WeakPolarHBondContact O-CA 3.21Å; I600-T724 WeakPolarHBondContact O-CG2 3.21Å
601	E	93.8	Very high	93.1	Very high	103 Å²	103	60.5 Å²	60.5	48%	0.481	30%	0.301	S	S	.	.			trans	-69.8	150.2	172.6	-61.4	144.8	-114.5	0	0	111.4	E603 K604 K605	E601-E603 VanDerWaalsContact C-N 3.35Å; E601-E603 PolarHBondContact O-N 3.04Å; E601-K604 HydrophobicContact CB-CD 4.27Å; E601-K604 PolarHBondContact O-N 3.13Å; E601-K604 IonicContact OE1-NZ 3.34Å; E601-K604 PolarHBondContact OE1-NZ 3.06Å; E601-K604 WeakPolarHBondContact OE2-CE 3.32Å; E601-K604 IonicContact OE2-NZ 3.79Å; E601-K604 PolarHBondContact OE2-NZ 3.37Å; E601-K605 PolarHBondContact O-N 3.08Å
602	E	90.6	Very high	93.8	Very high	95 Å²	95	56.3 Å²	56.3	44%	0.444	27%	0.272	S	S	.	.	H	α-helix	trans	-54.2	-47.1	-175.1	-163.1	64.8	-132.6	0	0	112.7	K604 K605 T724	E602-K604 PolarHBondContact O-N 3.48Å; E602-K605 WeakPolarHBondContact O-CB 3.32Å; E602-K605 PolarHBondContact O-N 3.32Å; E602-K605 VanDerWaalsContact O-N 3.14Å; E602-K605 VanDerWaalsContact OE1-CD 3.3Å; E602-K605 WeakPolarHBondContact OE1-CD 3.41Å; E602-K605 WeakPolarHBondContact OE1-CE 3.4Å; E602-K605 IonicContact OE1-NZ 2.77Å; E602-K605 PolarHBondContact OE1-NZ 3.29Å; E602-K605 VanDerWaalsContact OE2-CE 3.26Å; E602-K605 WeakPolarHBondContact OE2-CE 3.4Å; E602-K605 IonicContact OE2-NZ 2.82Å; E602-K605 PolarHBondContact OE2-NZ 2.88Å; E602-T724 WeakPolarHBondContact OE2-CG2 3.38Å
603	E	91.9	Very high	94.1	Very high	177 Å²	177	53.6 Å²	53.6	83%	0.827	26%	0.257	S	S	*	.	H	α-helix	trans	-58.6	-31.7	179.9	-58.9	-177.6	179.1	0	0	113.1	E601	E601-E603 VanDerWaalsContact C-N 3.35Å; E601-E603 PolarHBondContact O-N 3.04Å
604	K	94	Very high	94.2	Very high	100 Å²	100	55.9 Å²	55.9	44%	0.435	28%	0.281	S	S	.	.	H	α-helix	trans	-85	-15.8	-176.4	-70.3	167.9	176.6	149.7	0	112.6	I600 E601 E602 F606 L607 K608	I600-K604 HydrophobicContact CD1-CB 3.88Å; I600-K604 HydrophobicContact CG1-CB 3.67Å; E601-K604 HydrophobicContact CB-CD 4.27Å; E601-K604 PolarHBondContact O-N 3.13Å; E601-K604 IonicContact OE1-NZ 3.34Å; E601-K604 PolarHBondContact OE1-NZ 3.06Å; E601-K604 WeakPolarHBondContact OE2-CE 3.32Å; E601-K604 IonicContact OE2-NZ 3.79Å; E601-K604 PolarHBondContact OE2-NZ 3.37Å; E602-K604 PolarHBondContact O-N 3.48Å; K604-F606 PolarHBondContact O-N 2.87Å; K604-L607 PolarHBondContact O-N 3.32Å; K604-K608 PolarHBondContact O-N 2.81Å
605	K	95	Very high	94.1	Very high	1 Å²	1	58 Å²	58	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-42.2	179.8	-69.9	-176.4	-173.9	171.1	0	113.3	I600 E601 E602 K608 L609 Y694 F722 T724	I600-K605 HydrophobicContact CG2-CG 3.88Å; E601-K605 PolarHBondContact O-N 3.08Å; E602-K605 WeakPolarHBondContact O-CB 3.32Å; E602-K605 PolarHBondContact O-N 3.32Å; E602-K605 VanDerWaalsContact O-N 3.14Å; E602-K605 VanDerWaalsContact OE1-CD 3.3Å; E602-K605 WeakPolarHBondContact OE1-CD 3.41Å; E602-K605 WeakPolarHBondContact OE1-CE 3.4Å; E602-K605 IonicContact OE1-NZ 2.77Å; E602-K605 PolarHBondContact OE1-NZ 3.29Å; E602-K605 VanDerWaalsContact OE2-CE 3.26Å; E602-K605 WeakPolarHBondContact OE2-CE 3.4Å; E602-K605 IonicContact OE2-NZ 2.82Å; E602-K605 PolarHBondContact OE2-NZ 2.88Å; K605-K608 PolarHBondContact O-N 2.75Å; K605-L609 WeakPolarHBondContact O-CB 3.44Å; K605-L609 PolarHBondContact O-N 2.8Å; K605-Y694 HydrophobicContact CB-CD2 4.42Å; K605-Y694 HydrophobicContact CB-CE1 4.18Å; K605-Y694 HydrophobicContact CB-CE2 3.69Å; K605-Y694 WeakPolarHBondContact CB-OH 3.12Å; K605-Y694 HydrophobicContact CD-CD1 4.26Å; K605-Y694 HydrophobicContact CD-CE1 3.93Å; K605-Y694 PolarHBondContact NZ-O 3.39Å; K605-F722 HydrophobicContact CB-CD2 3.88Å; K605-F722 HydrophobicContact CB-CE2 4.22Å; K605-F722 HydrophobicContact CD-CB 4.26Å; K605-F722 HydrophobicContact CD-CD2 4.15Å; K605-F722 HydrophobicContact CG-CB 4.22Å; K605-F722 HydrophobicContact CG-CD2 3.83Å; K605-F722 HydrophobicContact CG-CG 4.31Å; K605-F722 WeakPolarHBondContact O-CE2 3.39Å; K605-T724 VanDerWaalsContact CE-CG2 3.47Å
606	F	95.6	Very high	93.9	Very high	59 Å²	59	59.5 Å²	59.5	26%	0.259	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-45.3	-178.1	-175.6	-108.9	0	0	0	111.4	K604 K608 L609 L610 L635 D638 L639 A642 Y694	K604-F606 PolarHBondContact O-N 2.87Å; F606-K608 VanDerWaalsContact C-N 3.34Å; F606-K608 PolarHBondContact O-N 3.49Å; F606-L609 WeakPolarHBondContact O-CB 3.31Å; F606-L609 PolarHBondContact O-N 3.1Å; F606-L610 HydrophobicContact CD1-CD1 4.14Å; F606-L610 HydrophobicContact CE1-CD1 3.68Å; F606-L610 HydrophobicContact CE1-CG 4.23Å; F606-L610 HydrophobicContact CZ-CD1 4.12Å; F606-L610 HydrophobicContact CZ-CD2 4.18Å; F606-L610 HydrophobicContact CZ-CG 4.29Å; F606-L610 WeakPolarHBondContact O-CG 3.39Å; F606-L610 PolarHBondContact O-N 2.62Å; F606-L635 HydrophobicContact CD2-CD1 3.79Å; F606-L635 HydrophobicContact CE2-CD1 3.99Å; F606-D638 HydrophobicContact CE2-CB 3.83Å; F606-D638 HydrophobicContact CZ-CB 3.92Å; F606-L639 HydrophobicContact CE2-CD2 4.17Å; F606-L639 HydrophobicContact CE2-CG 4.35Å; F606-A642 HydrophobicContact CZ-CB 4.24Å; F606-Y694 PolarHBondContact N-OH 2.85Å
607	L	95	Very high	93.4	Very high	127 Å²	127	58.1 Å²	58.1	67%	0.665	29%	0.29	S	S	*	.	H	α-helix	trans	-62.1	-41.5	175.6	-174.6	62.8	0	0	0	111.7	K604 L609 L610 E611	K604-L607 PolarHBondContact O-N 3.32Å; L607-L609 VanDerWaalsContact C-N 3.33Å; L607-L609 PolarHBondContact O-N 3.27Å; L607-L610 PolarHBondContact O-N 3.38Å; L607-E611 PolarHBondContact O-N 2.91Å; L607-E611 VanDerWaalsContact O-N 3.1Å
608	K	95.8	Very high	92.9	Very high	50 Å²	50	66 Å²	66	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-31.4	176.8	-168.1	51.7	159.9	180	0	112.9	I598 I600 K604 K605 F606 E611 L612 F722	I598-K608 HydrophobicContact CD1-CG 4.4Å; I600-K608 HydrophobicContact CD1-CB 3.6Å; I600-K608 HydrophobicContact CD1-CG 3.95Å; K604-K608 PolarHBondContact O-N 2.81Å; K605-K608 PolarHBondContact O-N 2.75Å; F606-K608 VanDerWaalsContact C-N 3.34Å; F606-K608 PolarHBondContact O-N 3.49Å; K608-E611 HydrophobicContact CD-CB 4.42Å; K608-E611 WeakPolarHBondContact CD-OE2 3.29Å; K608-E611 IonicContact NZ-OE1 3.91Å; K608-E611 PolarHBondContact NZ-OE1 3.35Å; K608-E611 IonicContact NZ-OE2 2.74Å; K608-E611 PolarHBondContact NZ-OE2 3.09Å; K608-L612 WeakPolarHBondContact O-CG 3.32Å; K608-L612 PolarHBondContact O-N 2.88Å; K608-F722 HydrophobicContact CB-CE1 4.38Å; K608-F722 HydrophobicContact CB-CZ 4.02Å; K608-F722 HydrophobicContact CG-CE1 3.81Å; K608-F722 HydrophobicContact CG-CZ 3.89Å
609	L	96.2	Very high	92.5	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-46.9	171	175.8	65.9	0	0	0	111	K605 F606 L607 E611 L612 L613 I624 L635 L639 V692 Y694 F722	K605-L609 WeakPolarHBondContact O-CB 3.44Å; K605-L609 PolarHBondContact O-N 2.8Å; F606-L609 WeakPolarHBondContact O-CB 3.31Å; F606-L609 PolarHBondContact O-N 3.1Å; L607-L609 VanDerWaalsContact C-N 3.33Å; L607-L609 PolarHBondContact O-N 3.27Å; L609-E611 VanDerWaalsContact C-N 3.3Å; L609-E611 PolarHBondContact O-N 3.22Å; L609-L612 PolarHBondContact O-N 3.35Å; L609-L612 VanDerWaalsContact O-N 3.16Å; L609-L613 HydrophobicContact CD1-CD1 4.2Å; L609-L613 HydrophobicContact CD1-CG 4.13Å; L609-L613 HydrophobicContact CD2-CD1 4.49Å; L609-L613 HydrophobicContact CG-CD1 3.95Å; L609-L613 HydrophobicContact CG-CG 4.28Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.93Å; L609-I624 HydrophobicContact CD1-CD1 3.81Å; L609-I624 HydrophobicContact CD1-CG1 3.91Å; L609-I624 HydrophobicContact CD2-CD1 3.84Å; L609-I624 HydrophobicContact CG-CD1 4.36Å; L609-L635 HydrophobicContact CD2-CD1 3.88Å; L609-L635 HydrophobicContact CD2-CD2 4.16Å; L609-L635 HydrophobicContact CD2-CG 4.43Å; L609-L639 HydrophobicContact CD2-CD1 4.4Å; L609-L639 HydrophobicContact CD2-CD2 4.01Å; L609-V692 HydrophobicContact CD1-CB 4.37Å; L609-V692 HydrophobicContact CD1-CG1 4.09Å; L609-V692 HydrophobicContact CD1-CG2 4.2Å; L609-Y694 HydrophobicContact CB-CD2 4.3Å; L609-Y694 HydrophobicContact CB-CE2 4.16Å; L609-Y694 HydrophobicContact CD2-CD2 3.92Å; L609-Y694 HydrophobicContact CD2-CE2 3.96Å; L609-F722 HydrophobicContact CB-CE2 4.23Å; L609-F722 HydrophobicContact CB-CZ 4.5Å
610	L	95.1	Very high	92.1	Very high	38 Å²	38	66.4 Å²	66.4	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-39.3	178	-65.3	179.3	0	0	0	112.2	F606 L607 L613 G614 L639 A642 Y644	F606-L610 HydrophobicContact CD1-CD1 4.14Å; F606-L610 HydrophobicContact CE1-CD1 3.68Å; F606-L610 HydrophobicContact CE1-CG 4.23Å; F606-L610 HydrophobicContact CZ-CD1 4.12Å; F606-L610 HydrophobicContact CZ-CD2 4.18Å; F606-L610 HydrophobicContact CZ-CG 4.29Å; F606-L610 WeakPolarHBondContact O-CG 3.39Å; F606-L610 PolarHBondContact O-N 2.62Å; L607-L610 PolarHBondContact O-N 3.38Å; L610-L613 PolarHBondContact O-N 3.12Å; L610-G614 PolarHBondContact O-N 2.92Å; L610-L639 HydrophobicContact CD2-CD2 4.11Å; L610-A642 HydrophobicContact CD2-CB 4.01Å; L610-Y644 HydrophobicContact CD2-CD2 3.84Å; L610-Y644 HydrophobicContact CD2-CE2 3.6Å
611	E	95.1	Very high	92	Very high	91 Å²	91	65.7 Å²	65.7	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-57.2	-48.9	172.7	-170.4	-157.3	116.3	0	0	111.8	L607 K608 L609 G614 H615	L607-E611 PolarHBondContact O-N 2.91Å; L607-E611 VanDerWaalsContact O-N 3.1Å; K608-E611 HydrophobicContact CD-CB 4.42Å; K608-E611 WeakPolarHBondContact CD-OE2 3.29Å; K608-E611 IonicContact NZ-OE1 3.91Å; K608-E611 PolarHBondContact NZ-OE1 3.35Å; K608-E611 IonicContact NZ-OE2 2.74Å; K608-E611 PolarHBondContact NZ-OE2 3.09Å; L609-E611 VanDerWaalsContact C-N 3.3Å; L609-E611 PolarHBondContact O-N 3.22Å; E611-G614 PolarHBondContact O-N 3.12Å; E611-H615 PolarHBondContact O-CD2 3.34Å; E611-H615 VanDerWaalsContact O-CD2 3.23Å; E611-H615 PolarHBondContact O-N 2.98Å
612	L	94.6	Very high	92	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-40.8	177.5	-65.7	176.1	0	0	0	112.1	K608 L609 G614 H615 Y616 L690 V692 Y720 F722	K608-L612 WeakPolarHBondContact O-CG 3.32Å; K608-L612 PolarHBondContact O-N 2.88Å; L609-L612 PolarHBondContact O-N 3.35Å; L609-L612 VanDerWaalsContact O-N 3.16Å; L612-G614 VanDerWaalsContact C-N 3.35Å; L612-G614 PolarHBondContact O-N 3.43Å; L612-H615 PolarHBondContact O-N 3.28Å; L612-Y616 HydrophobicContact CD2-CE2 4.36Å; L612-Y616 VanDerWaalsContact O-CD2 3.31Å; L612-Y616 WeakPolarHBondContact O-CD2 3.45Å; L612-Y616 PolarHBondContact O-N 3.27Å; L612-L690 HydrophobicContact CB-CD2 4.35Å; L612-V692 HydrophobicContact CD1-CG1 4.5Å; L612-V692 HydrophobicContact CD1-CG2 4.33Å; L612-Y720 HydrophobicContact CD1-CD1 3.75Å; L612-Y720 HydrophobicContact CD1-CD2 4.37Å; L612-Y720 HydrophobicContact CD1-CE1 4.42Å; L612-Y720 HydrophobicContact CD1-CG 3.7Å; L612-Y720 HydrophobicContact CD2-CD1 3.74Å; L612-Y720 HydrophobicContact CD2-CD2 4.27Å; L612-Y720 HydrophobicContact CD2-CE1 3.54Å; L612-Y720 HydrophobicContact CD2-CE2 4.07Å; L612-Y720 HydrophobicContact CD2-CG 4.1Å; L612-Y720 HydrophobicContact CG-CD1 4.42Å; L612-F722 HydrophobicContact CD1-CE1 4.03Å; L612-F722 HydrophobicContact CD1-CZ 3.95Å
613	L	94.2	Very high	92.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-40.8	178.1	-67.4	176.3	0	0	0	111.6	L609 L610 H615 Y616 Q617 V622 L639 Y644 L672	L609-L613 HydrophobicContact CD1-CD1 4.2Å; L609-L613 HydrophobicContact CD1-CG 4.13Å; L609-L613 HydrophobicContact CD2-CD1 4.49Å; L609-L613 HydrophobicContact CG-CD1 3.95Å; L609-L613 HydrophobicContact CG-CG 4.28Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 2.93Å; L610-L613 PolarHBondContact O-N 3.12Å; L613-H615 PolarHBondContact O-N 2.98Å; L613-Y616 PolarHBondContact O-N 2.92Å; L613-Q617 WeakPolarHBondContact O-CB 3.31Å; L613-Q617 PolarHBondContact O-N 2.68Å; L613-V622 HydrophobicContact CD2-CB 4.47Å; L613-V622 HydrophobicContact CD2-CG1 3.99Å; L613-V622 HydrophobicContact CD2-CG2 4.44Å; L613-L639 HydrophobicContact CD1-CD2 3.55Å; L613-Y644 HydrophobicContact CB-CD1 3.97Å; L613-Y644 HydrophobicContact CB-CE1 3.53Å; L613-Y644 HydrophobicContact CD1-CD1 3.91Å; L613-Y644 HydrophobicContact CD1-CE1 4.23Å; L613-Y644 HydrophobicContact CD1-CG 4.35Å; L613-L672 HydrophobicContact CD1-CD2 3.79Å; L613-L672 HydrophobicContact CD2-CD1 3.56Å; L613-L672 HydrophobicContact CD2-CD2 4.01Å; L613-L672 HydrophobicContact CD2-CG 4.47Å
614	G	91.5	Very high	92.4	Very high	52 Å²	52	47.9 Å²	47.9	54%	0.536	25%	0.25	S	S	.	.	H	α-helix	trans	-58.6	-28.2	174.3	0	0	0	0	0	114.3	L610 E611 L612	L610-G614 PolarHBondContact O-N 2.92Å; E611-G614 PolarHBondContact O-N 3.12Å; L612-G614 VanDerWaalsContact C-N 3.35Å; L612-G614 PolarHBondContact O-N 3.43Å
615	H	90.1	Very high	92.5	Very high	131 Å²	131	43.1 Å²	43.1	61%	0.606	23%	0.23	S	C	*	.	H	α-helix	trans	-87.1	-37	174.4	-71.6	-57.2	0	0	0	114.1	E611 L612 L613	E611-H615 PolarHBondContact O-CD2 3.34Å; E611-H615 VanDerWaalsContact O-CD2 3.23Å; E611-H615 PolarHBondContact O-N 2.98Å; L612-H615 PolarHBondContact O-N 3.28Å; L613-H615 PolarHBondContact O-N 2.98Å
616	Y	89.7	Confident	92.5	Very high	35 Å²	35	43.1 Å²	43.1	14%	0.137	23%	0.23	C	C	.	.	H	α-helix	trans	-108.4	-23	-166.1	-72	-77.8	0	0	0	115.6	L612 L613 E618 S619 G620 I689 L690 Y718 Y720	L612-Y616 HydrophobicContact CD2-CE2 4.36Å; L612-Y616 VanDerWaalsContact O-CD2 3.31Å; L612-Y616 WeakPolarHBondContact O-CD2 3.45Å; L612-Y616 PolarHBondContact O-N 3.27Å; L613-Y616 PolarHBondContact O-N 2.92Å; Y616-E618 PolarHBondContact O-N 2.93Å; Y616-S619 WeakPolarHBondContact O-CB 3.34Å; Y616-S619 PolarHBondContact O-N 3.42Å; Y616-S619 VanDerWaalsContact O-N 3.16Å; Y616-G620 PolarHBondContact O-N 3.13Å; Y616-I689 HydrophobicContact CD1-CG2 4.06Å; Y616-I689 HydrophobicContact CE1-CG2 4.47Å; Y616-L690 HydrophobicContact CD1-CB 4.49Å; Y616-L690 HydrophobicContact CD2-CD1 4.43Å; Y616-L690 HydrophobicContact CD2-CD2 3.79Å; Y616-L690 HydrophobicContact CG-CB 4.26Å; Y616-L690 HydrophobicContact CG-CD2 3.88Å; Y616-L690 HydrophobicContact CG-CG 4.5Å; Y616-Y718 HydrophobicContact CD1-CD2 4.31Å; Y616-Y718 HydrophobicContact CE1-CD1 4.42Å; Y616-Y718 AromaticContact CE1-CD2 3.47Å; Y616-Y718 HydrophobicContact CE1-CD2 3.47Å; Y616-Y718 VanDerWaalsContact CE1-CD2 3.47Å; Y616-Y718 AromaticContact CE1-CE2 3.75Å; Y616-Y718 HydrophobicContact CE1-CE2 3.75Å; Y616-Y718 AromaticContact CE1-CG 3.85Å; Y616-Y718 HydrophobicContact CE1-CG 3.85Å; Y616-Y718 AromaticContact CZ-CG 3.98Å; Y616-Y718 WeakPolarHBondContact OH-CD1 3.16Å; Y616-Y720 AromaticContact CE2-CE2 3.97Å; Y616-Y720 HydrophobicContact CE2-CE2 3.97Å
617	Q	83.8	Confident	92.3	Very high	41 Å²	41	43.1 Å²	43.1	19%	0.192	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.2	-173.5	-170.3	-164	20.8	0	0	113.2	L613 Y644 K671	L613-Q617 WeakPolarHBondContact O-CB 3.31Å; L613-Q617 PolarHBondContact O-N 2.68Å; Q617-Y644 VanDerWaalsContact OE1-CD1 3.25Å; Q617-Y644 VanDerWaalsContact OE1-CE1 3.25Å; Q617-K671 WeakPolarHBondContact O-CD 3.42Å; Q617-K671 PolarHBondContact O-NZ 3.43Å; Q617-K671 VanDerWaalsContact O-NZ 3.15Å
618	E	85	Confident	92	Very high	172 Å²	172	39.1 Å²	39.1	80%	0.804	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.6	173.6	-67.5	-153	144.2	0	0	111.2	Y616 G620 K671	Y616-E618 PolarHBondContact O-N 2.93Å; E618-G620 PolarHBondContact O-N 3.21Å; E618-K671 PolarHBondContact O-NZ 3.46Å
619	S	86.1	Confident	91.9	Very high	84 Å²	84	39.9 Å²	39.9	59%	0.587	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-34	-172.5	-64.7	0	0	0	0	114.2	Y616 I689	Y616-S619 WeakPolarHBondContact O-CB 3.34Å; Y616-S619 PolarHBondContact O-N 3.42Å; Y616-S619 VanDerWaalsContact O-N 3.16Å; S619-I689 VanDerWaalsContact O-CD1 3.26Å; S619-I689 WeakPolarHBondContact O-CD1 3.31Å
620	G	87.1	Confident	91.7	Very high	10 Å²	10	45.4 Å²	45.4	10%	0.103	24%	0.24	C	C	.	.	S	Bend	trans	178.7	-163.9	-177	0	0	0	0	0	114	Y616 E618	Y616-G620 PolarHBondContact O-N 3.13Å; E618-G620 PolarHBondContact O-N 3.21Å
621	S	92.1	Very high	91.6	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.063	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	149.9	177.6	-58.2	0	0	0	0	111.5	K671 H687 I689	S621-K671 CarbonylContact C-O 3.57Å; S621-K671 VanDerWaalsContact CA-O 3.31Å; S621-K671 WeakPolarHBondContact CA-O 3.37Å; S621-H687 PolarHBondContact N-O 3.39Å; S621-I689 PolarHBondContact O-N 3.49Å
622	V	94.3	Very high	91.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.7	-178.9	-176.7	0	0	0	0	109.8	L613 F665 K671 L672 L673 L690	L613-V622 HydrophobicContact CD2-CB 4.47Å; L613-V622 HydrophobicContact CD2-CG1 3.99Å; L613-V622 HydrophobicContact CD2-CG2 4.44Å; V622-F665 WeakPolarHBondContact O-CE2 3.41Å; V622-F665 WeakPolarHBondContact O-CZ 3.13Å; V622-K671 PolarHBondContact N-O 3.15Å; V622-L672 HydrophobicContact CB-CD1 3.71Å; V622-L672 HydrophobicContact CG1-CD1 3.78Å; V622-L673 PolarHBondContact O-N 3.31Å; V622-L690 WeakPolarHBondContact CA-O 3.3Å; V622-L690 HydrophobicContact CB-CB 4.46Å; V622-L690 HydrophobicContact CG1-CB 4.03Å; V622-L690 HydrophobicContact CG1-CD2 3.76Å; V622-L690 HydrophobicContact CG1-CG 3.91Å; V622-L690 HydrophobicContact CG2-CB 4.1Å; V622-L690 HydrophobicContact CG2-CD2 4.31Å
623	I	95	Very high	91.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.9	166.3	-67.6	167.5	0	0	0	108.9	F625 F665 L673 A675 L683 L688 L690 V691 V692	I623-F625 HydrophobicContact CB-CE2 4.42Å; I623-F625 HydrophobicContact CG2-CD1 4.24Å; I623-F625 HydrophobicContact CG2-CD2 3.94Å; I623-F625 HydrophobicContact CG2-CE1 3.9Å; I623-F625 HydrophobicContact CG2-CE2 3.58Å; I623-F625 HydrophobicContact CG2-CG 4.24Å; I623-F625 HydrophobicContact CG2-CZ 3.54Å; I623-F665 HydrophobicContact CD1-CE1 3.96Å; I623-F665 HydrophobicContact CD1-CZ 4.34Å; I623-F665 HydrophobicContact CG1-CE1 3.72Å; I623-F665 HydrophobicContact CG1-CZ 3.62Å; I623-L673 CarbonylContact C-O 3.6Å; I623-L673 WeakPolarHBondContact CA-O 3.21Å; I623-L673 HydrophobicContact CG1-CB 4.28Å; I623-L673 HydrophobicContact CG1-CD2 4.31Å; I623-A675 HydrophobicContact CG2-CB 4.5Å; I623-L683 HydrophobicContact CD1-CD2 3.89Å; I623-L688 HydrophobicContact CB-CD1 4.15Å; I623-L688 HydrophobicContact CD1-CD1 3.84Å; I623-L688 HydrophobicContact CD1-CD2 3.77Å; I623-L688 HydrophobicContact CD1-CG 4.49Å; I623-L688 HydrophobicContact CG1-CD1 3.59Å; I623-L688 HydrophobicContact CG1-CD2 4.34Å; I623-L690 PolarHBondContact N-O 3.23Å; I623-L690 VanDerWaalsContact N-O 3.09Å; I623-V691 CarbonylContact O-C 3.53Å; I623-V691 WeakPolarHBondContact O-CA 3.4Å; I623-V692 PolarHBondContact O-N 3.37Å
624	I	96	Very high	91.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.9	168.6	-55.5	158.7	0	0	0	108.1	L609 L635 L639 L672 L673 V674 A675 V692 Y694	L609-I624 HydrophobicContact CD1-CD1 3.81Å; L609-I624 HydrophobicContact CD1-CG1 3.91Å; L609-I624 HydrophobicContact CD2-CD1 3.84Å; L609-I624 HydrophobicContact CG-CD1 4.36Å; I624-L635 HydrophobicContact CG2-CD2 3.83Å; I624-L639 HydrophobicContact CD1-CD1 3.68Å; I624-L672 HydrophobicContact CD1-CD1 3.67Å; I624-L672 HydrophobicContact CD1-CG 4.31Å; I624-L672 HydrophobicContact CG1-CD1 4.07Å; I624-L673 PolarHBondContact N-O 3.49Å; I624-V674 HydrophobicContact CD1-CG2 4.08Å; I624-V674 CarbonylContact O-C 3.59Å; I624-V674 WeakPolarHBondContact O-CA 3.45Å; I624-A675 PolarHBondContact O-N 3.26Å; I624-V692 CarbonylContact C-O 3.56Å; I624-V692 WeakPolarHBondContact CA-O 3.26Å; I624-V692 HydrophobicContact CG1-CB 4.39Å; I624-V692 HydrophobicContact CG2-CB 4.45Å; I624-Y694 HydrophobicContact CG2-CG 4.4Å
625	F	96.4	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125	174.5	-74.8	-66.3	0	0	0	112.3	I623 A675 A679 A680 V691 V692 Y694 S695 R706 R709	I623-F625 HydrophobicContact CB-CE2 4.42Å; I623-F625 HydrophobicContact CG2-CD1 4.24Å; I623-F625 HydrophobicContact CG2-CD2 3.94Å; I623-F625 HydrophobicContact CG2-CE1 3.9Å; I623-F625 HydrophobicContact CG2-CE2 3.58Å; I623-F625 HydrophobicContact CG2-CG 4.24Å; I623-F625 HydrophobicContact CG2-CZ 3.54Å; F625-A675 CarbonylContact C-O 3.57Å; F625-A675 VanDerWaalsContact CA-O 3.3Å; F625-A675 WeakPolarHBondContact CA-O 3.35Å; F625-A675 HydrophobicContact CD1-CB 4.35Å; F625-A675 HydrophobicContact CE1-CB 4.24Å; F625-A679 HydrophobicContact CE1-CB 4.04Å; F625-A680 HydrophobicContact CE1-CB 3.89Å; F625-A680 VanDerWaalsContact CZ-CA 3.49Å; F625-A680 HydrophobicContact CZ-CB 4Å; F625-V691 HydrophobicContact CD2-CG1 3.67Å; F625-V691 HydrophobicContact CE2-CG1 3.81Å; F625-V692 PolarHBondContact N-O 3.22Å; F625-Y694 PolarHBondContact O-N 3.03Å; F625-S695 PolarHBondContact O-N 2.91Å; F625-R706 HydrophobicContact CB-CG 4.49Å; F625-R706 HydrophobicContact CD1-CG 4.19Å; F625-R706 HydrophobicContact CD2-CB 3.71Å; F625-R706 HydrophobicContact CD2-CG 3.62Å; F625-R706 HydrophobicContact CE1-CG 4.36Å; F625-R706 HydrophobicContact CE2-CB 3.77Å; F625-R706 HydrophobicContact CE2-CG 3.81Å; F625-R706 HydrophobicContact CG-CB 4.42Å; F625-R706 HydrophobicContact CG-CG 3.84Å; F625-R706 HydrophobicContact CZ-CG 4.19Å; F625-R709 HydrophobicContact CE2-CG 4.14Å; F625-R709 HydrophobicContact CZ-CG 4Å
626	V	94.7	Very high	92	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	21%	0.211	C	C	.	.			trans	-109.1	179.3	167.8	-63.3	0	0	0	0	110.7	K628 H631 A632 L635 V674 A675 T676 Y694 S695 R706	V626-K628 WeakPolarHBondContact CG2-O 3.42Å; V626-H631 HydrophobicContact CB-CB 4.28Å; V626-A632 HydrophobicContact CG2-CB 3.71Å; V626-L635 HydrophobicContact CG1-CD2 4.01Å; V626-V674 HydrophobicContact CG1-CG1 4.28Å; V626-V674 HydrophobicContact CG2-CG1 4.4Å; V626-A675 WeakPolarHBondContact CG2-O 3.29Å; V626-A675 PolarHBondContact N-O 3.03Å; V626-T676 HydrophobicContact CG2-CG2 4.25Å; V626-Y694 HydrophobicContact CG1-CD1 4.42Å; V626-S695 WeakPolarHBondContact CA-OG 3.5Å; V626-R706 PolarHBondContact O-NH2 3.05Å
627	D	89.9	Confident	92.3	Very high	58 Å²	58	44.5 Å²	44.5	31%	0.31	23%	0.229	S	C	.	.	S	Bend	trans	-93.3	-61.7	177.8	57.3	-46.2	0	0	0	111.5	H631 S695	D627-H631 IonicContact OD1-CE1 2.69Å; D627-H631 IonicContact OD1-CG 3.18Å; D627-H631 IonicContact OD1-ND1 3.71Å; D627-H631 PolarHBondContact OD1-ND1 3.14Å; D627-H631 IonicContact OD2-CE1 2.72Å; D627-H631 PolarHBondContact OD2-CE1 2.99Å; D627-H631 IonicContact OD2-ND1 3.72Å; D627-H631 PolarHBondContact OD2-ND1 3.14Å; D627-S695 PolarHBondContact N-OG 2.93Å; D627-S695 VanDerWaalsContact OD1-CB 3.27Å; D627-S695 WeakPolarHBondContact OD1-CB 3.45Å; D627-S695 PolarHBondContact OD1-OG 3.43Å
628	K	90.3	Very high	92.9	Very high	44 Å²	44	45.4 Å²	45.4	19%	0.191	24%	0.236	C	C	.	.	S	Bend	trans	-96.8	157.2	-178	-65.3	-163	178.7	-150.6	0	113.2	V626 H631 A632 D781 E784	V626-K628 WeakPolarHBondContact CG2-O 3.42Å; K628-H631 HydrophobicContact CB-CB 4.48Å; K628-H631 PolarHBondContact O-N 3.3Å; K628-A632 PolarHBondContact O-N 3.43Å; K628-D781 IonicContact NZ-OD2 3.46Å; K628-D781 PolarHBondContact NZ-OD2 3.05Å; K628-E784 IonicContact NZ-OE2 3.58Å; K628-E784 PolarHBondContact NZ-OE2 3.03Å
629	Q	92.3	Very high	93.3	Very high	66 Å²	66	37.2 Å²	37.2	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-66.8	-37.5	174.1	56.1	-174.9	-2.3	0	0	112.8	H631 A632 D633 H650	Q629-H631 VanDerWaalsContact C-N 3.29Å; Q629-H631 PolarHBondContact O-N 3.23Å; Q629-A632 WeakPolarHBondContact O-CA 3.37Å; Q629-A632 VanDerWaalsContact O-CB 3.28Å; Q629-A632 WeakPolarHBondContact O-CB 3.24Å; Q629-A632 PolarHBondContact O-N 2.99Å; Q629-D633 PolarHBondContact O-N 3.01Å; Q629-D633 VanDerWaalsContact O-N 3.12Å; Q629-H650 HydrophobicContact CB-CB 3.82Å; Q629-H650 WeakPolarHBondContact CB-ND1 3.48Å; Q629-H650 PolarHBondContact OE1-ND1 3.16Å
630	E	93.1	Very high	93.7	Very high	115 Å²	115	38.3 Å²	38.3	54%	0.537	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-38.1	177.1	-58.2	175.3	147.7	0	0	111.4	A632 G634	E630-A632 VanDerWaalsContact C-N 3.32Å; E630-A632 PolarHBondContact O-N 3.14Å; E630-G634 PolarHBondContact O-N 2.86Å
631	H	93.3	Very high	94.1	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.417	22%	0.223	S	C	.	.	H	α-helix	trans	-67.9	-29.9	172.8	-59.6	168.4	0	0	0	112.3	V626 D627 K628 Q629 L635	V626-H631 HydrophobicContact CB-CB 4.28Å; D627-H631 IonicContact OD1-CE1 2.69Å; D627-H631 IonicContact OD1-CG 3.18Å; D627-H631 IonicContact OD1-ND1 3.71Å; D627-H631 PolarHBondContact OD1-ND1 3.14Å; D627-H631 IonicContact OD2-CE1 2.72Å; D627-H631 PolarHBondContact OD2-CE1 2.99Å; D627-H631 IonicContact OD2-ND1 3.72Å; D627-H631 PolarHBondContact OD2-ND1 3.14Å; K628-H631 HydrophobicContact CB-CB 4.48Å; K628-H631 PolarHBondContact O-N 3.3Å; Q629-H631 VanDerWaalsContact C-N 3.29Å; Q629-H631 PolarHBondContact O-N 3.23Å; H631-L635 VanDerWaalsContact O-CB 3.23Å; H631-L635 WeakPolarHBondContact O-CB 3.5Å; H631-L635 PolarHBondContact O-N 2.79Å
632	A	94.3	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-47.5	176	0	0	0	0	0	111	V626 K628 Q629 E630 L636 V674	V626-A632 HydrophobicContact CG2-CB 3.71Å; K628-A632 PolarHBondContact O-N 3.43Å; Q629-A632 WeakPolarHBondContact O-CA 3.37Å; Q629-A632 VanDerWaalsContact O-CB 3.28Å; Q629-A632 WeakPolarHBondContact O-CB 3.24Å; Q629-A632 PolarHBondContact O-N 2.99Å; E630-A632 VanDerWaalsContact C-N 3.32Å; E630-A632 PolarHBondContact O-N 3.14Å; A632-L636 VanDerWaalsContact O-CB 3.29Å; A632-L636 WeakPolarHBondContact O-CB 3.41Å; A632-L636 PolarHBondContact O-N 3.28Å; A632-V674 HydrophobicContact CB-CG1 4.02Å
633	D	93.9	Very high	94.1	Very high	50 Å²	50	53 Å²	53	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-76.6	-24.4	178.7	-76	-17.1	0	0	0	113.5	Q629 K637 S648 H650	Q629-D633 PolarHBondContact O-N 3.01Å; Q629-D633 VanDerWaalsContact O-N 3.12Å; D633-K637 WeakPolarHBondContact O-CD 3.38Å; D633-K637 VanDerWaalsContact O-CE 3.26Å; D633-K637 WeakPolarHBondContact O-CE 3.5Å; D633-K637 VanDerWaalsContact O-CG 3.22Å; D633-K637 WeakPolarHBondContact O-CG 3.2Å; D633-K637 PolarHBondContact O-N 3.26Å; D633-K637 PolarHBondContact O-NZ 3.1Å; D633-S648 WeakPolarHBondContact OD1-CB 3.23Å; D633-S648 PolarHBondContact OD1-OG 3.44Å; D633-H650 IonicContact OD1-NE2 2.73Å; D633-H650 PolarHBondContact OD1-NE2 2.98Å; D633-H650 IonicContact OD2-CE1 3.98Å; D633-H650 IonicContact OD2-NE2 3.94Å
634	G	95.1	Very high	93.9	Very high	24 Å²	24	55.2 Å²	55.2	25%	0.247	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-58.1	167.1	0	0	0	0	0	110.7	E630 L636 K637 D638	E630-G634 PolarHBondContact O-N 2.86Å; G634-L636 VanDerWaalsContact C-N 3.26Å; G634-L636 PolarHBondContact O-N 3.05Å; G634-K637 WeakPolarHBondContact O-CB 3.5Å; G634-K637 PolarHBondContact O-N 3.11Å; G634-D638 PolarHBondContact O-N 3.35Å; G634-D638 VanDerWaalsContact O-N 3.13Å
635	L	95.5	Very high	93.7	Very high	12 Å²	12	59.2 Å²	59.2	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-33.4	-179.7	-174.1	59.5	0	0	0	112.7	F606 L609 I624 V626 H631 D638 L639 V674 Y694	F606-L635 HydrophobicContact CD2-CD1 3.79Å; F606-L635 HydrophobicContact CE2-CD1 3.99Å; L609-L635 HydrophobicContact CD2-CD1 3.88Å; L609-L635 HydrophobicContact CD2-CD2 4.16Å; L609-L635 HydrophobicContact CD2-CG 4.43Å; I624-L635 HydrophobicContact CG2-CD2 3.83Å; V626-L635 HydrophobicContact CG1-CD2 4.01Å; H631-L635 VanDerWaalsContact O-CB 3.23Å; H631-L635 WeakPolarHBondContact O-CB 3.5Å; H631-L635 PolarHBondContact O-N 2.79Å; L635-D638 PolarHBondContact O-N 3.36Å; L635-L639 HydrophobicContact CD1-CD1 4.31Å; L635-L639 HydrophobicContact CD1-CG 4.22Å; L635-L639 HydrophobicContact CG-CD1 3.96Å; L635-L639 HydrophobicContact CG-CG 4.34Å; L635-L639 WeakPolarHBondContact O-CB 3.48Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.47Å; L635-L639 PolarHBondContact O-N 3.46Å; L635-V674 HydrophobicContact CB-CG1 4.36Å; L635-V674 HydrophobicContact CD2-CG1 4.11Å; L635-V674 HydrophobicContact CD2-CG2 4.47Å; L635-V674 HydrophobicContact CG-CG1 4.5Å; L635-V674 HydrophobicContact CG-CG2 4.43Å; L635-Y694 HydrophobicContact CD1-CE2 4.27Å; L635-Y694 HydrophobicContact CD2-CD1 4.4Å; L635-Y694 HydrophobicContact CD2-CD2 4.13Å; L635-Y694 HydrophobicContact CD2-CE2 4.4Å; L635-Y694 HydrophobicContact CD2-CG 4.13Å
636	L	95.2	Very high	93.6	Very high	35 Å²	35	60 Å²	60	18%	0.183	31%	0.309	C	S	.	.	H	α-helix	trans	-55.4	-50.2	169.5	-177.1	77.9	0	0	0	111.8	A632 G634 D638 M640 C646	A632-L636 VanDerWaalsContact O-CB 3.29Å; A632-L636 WeakPolarHBondContact O-CB 3.41Å; A632-L636 PolarHBondContact O-N 3.28Å; G634-L636 VanDerWaalsContact C-N 3.26Å; G634-L636 PolarHBondContact O-N 3.05Å; L636-D638 VanDerWaalsContact C-N 3.33Å; L636-D638 PolarHBondContact O-N 3.43Å; L636-M640 WeakPolarHBondContact O-CB 3.34Å; L636-M640 WeakPolarHBondContact O-CG 2.99Å; L636-M640 PolarHBondContact O-N 3.39Å; L636-C646 HydrophobicContact CD1-CB 4.26Å
637	K	95.3	Very high	93.6	Very high	121 Å²	121	62 Å²	62	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-40.3	-178.6	-69.3	156.9	-165.9	152.2	0	111.3	D633 G634 M640 R641	D633-K637 WeakPolarHBondContact O-CD 3.38Å; D633-K637 VanDerWaalsContact O-CE 3.26Å; D633-K637 WeakPolarHBondContact O-CE 3.5Å; D633-K637 VanDerWaalsContact O-CG 3.22Å; D633-K637 WeakPolarHBondContact O-CG 3.2Å; D633-K637 PolarHBondContact O-N 3.26Å; D633-K637 PolarHBondContact O-NZ 3.1Å; G634-K637 WeakPolarHBondContact O-CB 3.5Å; G634-K637 PolarHBondContact O-N 3.11Å; K637-M640 PolarHBondContact O-N 2.86Å; K637-R641 WeakPolarHBondContact O-CB 3.48Å; K637-R641 WeakPolarHBondContact O-CD 3.34Å; K637-R641 WeakPolarHBondContact O-CG 3.27Å; K637-R641 PolarHBondContact O-N 3.38Å
638	D	95.3	Very high	93.8	Very high	60 Å²	60	59.8 Å²	59.8	32%	0.321	31%	0.308	S	S	.	.	H	α-helix	trans	-75.6	-35.6	-178.3	-66	-37	0	0	0	113.1	F606 G634 L635 L636 R641 A642	F606-D638 HydrophobicContact CE2-CB 3.83Å; F606-D638 HydrophobicContact CZ-CB 3.92Å; G634-D638 PolarHBondContact O-N 3.35Å; G634-D638 VanDerWaalsContact O-N 3.13Å; L635-D638 PolarHBondContact O-N 3.36Å; L636-D638 VanDerWaalsContact C-N 3.33Å; L636-D638 PolarHBondContact O-N 3.43Å; D638-R641 PolarHBondContact O-N 2.65Å; D638-R641 WeakPolarHBondContact OD1-CD 3.36Å; D638-R641 IonicContact OD1-CZ 2.66Å; D638-R641 IonicContact OD1-NE 3.34Å; D638-R641 IonicContact OD1-NH1 2.64Å; D638-R641 PolarHBondContact OD1-NH1 2.93Å; D638-A642 WeakPolarHBondContact O-CB 3.19Å; D638-A642 PolarHBondContact O-N 3.3Å
639	L	95.4	Very high	93.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-42.5	168.9	-73.2	170.2	0	0	0	112	F606 L609 L610 L613 I624 L635 A642 S643 Y644 C646 L672 V674	F606-L639 HydrophobicContact CE2-CD2 4.17Å; F606-L639 HydrophobicContact CE2-CG 4.35Å; L609-L639 HydrophobicContact CD2-CD1 4.4Å; L609-L639 HydrophobicContact CD2-CD2 4.01Å; L610-L639 HydrophobicContact CD2-CD2 4.11Å; L613-L639 HydrophobicContact CD1-CD2 3.55Å; I624-L639 HydrophobicContact CD1-CD1 3.68Å; L635-L639 HydrophobicContact CD1-CD1 4.31Å; L635-L639 HydrophobicContact CD1-CG 4.22Å; L635-L639 HydrophobicContact CG-CD1 3.96Å; L635-L639 HydrophobicContact CG-CG 4.34Å; L635-L639 WeakPolarHBondContact O-CB 3.48Å; L635-L639 VanDerWaalsContact O-CG 3.27Å; L635-L639 WeakPolarHBondContact O-CG 3.47Å; L635-L639 PolarHBondContact O-N 3.46Å; L639-A642 CarbonylContact O-C 3.54Å; L639-A642 WeakPolarHBondContact O-CA 3.25Å; L639-A642 PolarHBondContact O-N 3.29Å; L639-A642 VanDerWaalsContact O-N 3.15Å; L639-S643 PolarHBondContact O-N 3.07Å; L639-Y644 WeakPolarHBondContact O-CB 3.34Å; L639-Y644 PolarHBondContact O-N 2.95Å; L639-C646 WeakPolarHBondContact CB-SG 3.29Å; L639-L672 HydrophobicContact CD1-CD2 4.2Å; L639-V674 HydrophobicContact CD1-CG2 3.74Å
640	M	93.7	Very high	93.8	Very high	107 Å²	107	55.1 Å²	55.1	53%	0.527	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-39.4	175.3	-72.4	-68.8	-70.6	0	0	112	L636 K637 A642 S643	L636-M640 WeakPolarHBondContact O-CB 3.34Å; L636-M640 WeakPolarHBondContact O-CG 2.99Å; L636-M640 PolarHBondContact O-N 3.39Å; K637-M640 PolarHBondContact O-N 2.86Å; M640-A642 VanDerWaalsContact C-N 3.33Å; M640-S643 PolarHBondContact O-N 3.05Å
641	R	95.1	Very high	93.4	Very high	189 Å²	189	51.6 Å²	51.6	71%	0.713	28%	0.281	S	S	*	.	H	α-helix	trans	-60.2	-41.1	170.2	-75.6	161.3	169.3	172.6	-6	111.9	K637 D638 S643	K637-R641 WeakPolarHBondContact O-CB 3.48Å; K637-R641 WeakPolarHBondContact O-CD 3.34Å; K637-R641 WeakPolarHBondContact O-CG 3.27Å; K637-R641 PolarHBondContact O-N 3.38Å; D638-R641 PolarHBondContact O-N 2.65Å; D638-R641 WeakPolarHBondContact OD1-CD 3.36Å; D638-R641 IonicContact OD1-CZ 2.66Å; D638-R641 IonicContact OD1-NE 3.34Å; D638-R641 IonicContact OD1-NH1 2.64Å; D638-R641 PolarHBondContact OD1-NH1 2.93Å; R641-S643 PolarHBondContact O-N 3.48Å; R641-S643 VanDerWaalsContact O-N 3.15Å
642	A	93.1	Very high	93	Very high	35 Å²	35	50.1 Å²	50.1	29%	0.289	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	8.1	174.2	0	0	0	0	0	113.9	F606 L610 D638 L639 M640 Y644	F606-A642 HydrophobicContact CZ-CB 4.24Å; L610-A642 HydrophobicContact CD2-CB 4.01Å; D638-A642 WeakPolarHBondContact O-CB 3.19Å; D638-A642 PolarHBondContact O-N 3.3Å; L639-A642 CarbonylContact O-C 3.54Å; L639-A642 WeakPolarHBondContact O-CA 3.25Å; L639-A642 PolarHBondContact O-N 3.29Å; L639-A642 VanDerWaalsContact O-N 3.15Å; M640-A642 VanDerWaalsContact C-N 3.33Å; A642-Y644 VanDerWaalsContact C-N 3.34Å; A642-Y644 HydrophobicContact CB-CD2 3.87Å; A642-Y644 HydrophobicContact CB-CE2 4.32Å; A642-Y644 WeakPolarHBondContact O-CD2 3.47Å; A642-Y644 WeakPolarHBondContact O-CE2 3.4Å; A642-Y644 PolarHBondContact O-N 3.33Å
643	S	92.4	Very high	92.7	Very high	105 Å²	105	51.3 Å²	51.3	73%	0.734	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	27.6	-179	-51.8	0	0	0	0	115.3	L639 M640 R641 P645	L639-S643 PolarHBondContact O-N 3.07Å; M640-S643 PolarHBondContact O-N 3.05Å; R641-S643 PolarHBondContact O-N 3.48Å; R641-S643 VanDerWaalsContact O-N 3.15Å; S643-P645 WeakPolarHBondContact O-CD 3.24Å
644	Y	92.7	Very high	92.4	Very high	47 Å²	47	53.4 Å²	53.4	18%	0.184	31%	0.308	C	S	.	.			trans	-98.2	106.8	171.7	-73.9	-97.4	0	0	0	110.5	L610 L613 Q617 L639 A642 C646 L672	L610-Y644 HydrophobicContact CD2-CD2 3.84Å; L610-Y644 HydrophobicContact CD2-CE2 3.6Å; L613-Y644 HydrophobicContact CB-CD1 3.97Å; L613-Y644 HydrophobicContact CB-CE1 3.53Å; L613-Y644 HydrophobicContact CD1-CD1 3.91Å; L613-Y644 HydrophobicContact CD1-CE1 4.23Å; L613-Y644 HydrophobicContact CD1-CG 4.35Å; Q617-Y644 VanDerWaalsContact OE1-CD1 3.25Å; Q617-Y644 VanDerWaalsContact OE1-CE1 3.25Å; L639-Y644 WeakPolarHBondContact O-CB 3.34Å; L639-Y644 PolarHBondContact O-N 2.95Å; A642-Y644 VanDerWaalsContact C-N 3.34Å; A642-Y644 HydrophobicContact CB-CD2 3.87Å; A642-Y644 HydrophobicContact CB-CE2 4.32Å; A642-Y644 WeakPolarHBondContact O-CD2 3.47Å; A642-Y644 WeakPolarHBondContact O-CE2 3.4Å; A642-Y644 PolarHBondContact O-N 3.33Å; Y644-C646 PolarHBondContact O-N 3.03Å; Y644-C646 PolarHBondContact O-SG 2.89Å; Y644-L672 HydrophobicContact CD1-CD2 4.5Å
645	P	91.5	Very high	91.9	Very high	84 Å²	84	52.4 Å²	52.4	55%	0.545	30%	0.296	S	S	.	.			trans	-65.7	119.4	178.6	-20.5	33.8	0	0	0	110.8	S643	S643-P645 WeakPolarHBondContact O-CD 3.24Å
646	C	93.4	Very high	91.5	Very high	15 Å²	15	60.5 Å²	60.5	10%	0.101	33%	0.327	C	S	.	.			trans	-144.4	168.1	-175.6	49.7	0	0	0	0	112.7	L636 L639 Y644 L672	L636-C646 HydrophobicContact CD1-CB 4.26Å; L639-C646 WeakPolarHBondContact CB-SG 3.29Å; Y644-C646 PolarHBondContact O-N 3.03Å; Y644-C646 PolarHBondContact O-SG 2.89Å; C646-L672 WeakPolarHBondContact CA-O 3.22Å; C646-L672 HydrophobicContact CB-CB 3.94Å; C646-L672 HydrophobicContact CB-CD2 3.93Å; C646-L672 HydrophobicContact CB-CG 3.78Å; C646-L672 WeakPolarHBondContact CB-O 3.36Å
647	M	94	Very high	91.3	Very high	46 Å²	46	62.9 Å²	62.9	23%	0.227	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.4	175.3	-67.5	168.7	165.8	0	0	109.6	I661 D664 C670 L672 L673 V674	M647-I661 HydrophobicContact CB-CG1 4.46Å; M647-I661 HydrophobicContact CB-CG2 3.79Å; M647-I661 HydrophobicContact CG-CG2 4.41Å; M647-I661 HydrophobicContact SD-CB 4.26Å; M647-I661 HydrophobicContact SD-CG1 4.16Å; M647-I661 HydrophobicContact SD-CG2 3.97Å; M647-D664 HydrophobicContact CE-CB 3.96Å; M647-D664 HydrophobicContact SD-CB 4.24Å; M647-C670 HydrophobicContact CE-CB 3.98Å; M647-C670 HydrophobicContact CG-CB 4.23Å; M647-C670 HydrophobicContact SD-CB 3.63Å; M647-L672 PolarHBondContact N-O 2.8Å; M647-L672 VanDerWaalsContact N-O 3.1Å; M647-L673 HydrophobicContact CB-CD1 4.04Å; M647-V674 PolarHBondContact O-N 2.87Å
648	S	94.4	Very high	90.9	Very high	11 Å²	11	58 Å²	58	8%	0.077	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.2	173.1	58.9	0	0	0	0	111.6	D633 I653 V674	D633-S648 WeakPolarHBondContact OD1-CB 3.23Å; D633-S648 PolarHBondContact OD1-OG 3.44Å; S648-I653 VanDerWaalsContact O-CD1 3.27Å; S648-I653 WeakPolarHBondContact O-CD1 3.45Å; S648-V674 CarbonylContact C-O 3.55Å; S648-V674 VanDerWaalsContact CA-O 3.24Å; S648-V674 WeakPolarHBondContact CA-O 3.23Å
649	L	91.8	Very high	90.4	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.016	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	106.7	177.5	-176.1	57.8	0	0	0	112.3	R658 I662 L673 V674 A675 T676 A679	L649-R658 HydrophobicContact CD1-CB 4.14Å; L649-R658 HydrophobicContact CD1-CG 3.76Å; L649-I662 HydrophobicContact CD1-CD1 4.28Å; L649-I662 HydrophobicContact CD1-CG1 4.4Å; L649-I662 HydrophobicContact CD2-CD1 4Å; L649-I662 HydrophobicContact CD2-CG1 3.74Å; L649-L673 HydrophobicContact CB-CD1 4Å; L649-L673 HydrophobicContact CB-CG 4.39Å; L649-L673 HydrophobicContact CD2-CD2 3.99Å; L649-V674 PolarHBondContact N-O 3.19Å; L649-A675 HydrophobicContact CB-CB 4.09Å; L649-A675 VanDerWaalsContact O-CA 3.27Å; L649-A675 WeakPolarHBondContact O-CA 3.33Å; L649-T676 PolarHBondContact O-N 2.87Å; L649-T676 VanDerWaalsContact O-N 3.09Å; L649-A679 HydrophobicContact CD2-CB 3.89Å; L649-A679 HydrophobicContact CG-CB 4.47Å
650	H	91	Very high	90.2	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.037	33%	0.329	C	S	.	.			trans	-148.8	-174.6	-178.6	55.9	91.8	0	0	0	112.3	Q629 D633 I653 R658 T676	Q629-H650 HydrophobicContact CB-CB 3.82Å; Q629-H650 WeakPolarHBondContact CB-ND1 3.48Å; Q629-H650 PolarHBondContact OE1-ND1 3.16Å; D633-H650 IonicContact OD1-NE2 2.73Å; D633-H650 PolarHBondContact OD1-NE2 2.98Å; D633-H650 IonicContact OD2-CE1 3.98Å; D633-H650 IonicContact OD2-NE2 3.94Å; H650-I653 VanDerWaalsContact CE1-CG1 3.47Å; H650-I653 WeakPolarHBondContact CE1-CG1 3.39Å; H650-I653 VanDerWaalsContact NE2-CG1 3.34Å; H650-I653 WeakPolarHBondContact NE2-CG1 3.3Å; H650-R658 PolarHBondContact O-NH1 3.08Å; H650-T676 WeakPolarHBondContact CA-OG1 3.43Å; H650-T676 HydrophobicContact CB-CG2 3.73Å
651	G	85.1	Confident	90.1	Very high	42 Å²	42	55.3 Å²	55.3	43%	0.433	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-59.5	-177	0	0	0	0	0	112.8	I653 R658	G651-I653 PolarHBondContact O-N 2.8Å; G651-R658 PolarHBondContact O-NH1 3.43Å; G651-R658 VanDerWaalsContact O-NH1 3.12Å
652	G	85.4	Confident	89.8	Confident	58 Å²	58	46.4 Å²	46.4	60%	0.598	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	32.8	-178.7	0	0	0	0	0	116.7
653	I	88.1	Confident	89.6	Confident	26 Å²	26	48.2 Å²	48.2	13%	0.133	28%	0.282	C	S	.	.	S	Bend	trans	-103.1	140.6	159.6	-53.2	-175.4	0	0	0	106.7	S648 H650 G651 D657 R658 I661	S648-I653 VanDerWaalsContact O-CD1 3.27Å; S648-I653 WeakPolarHBondContact O-CD1 3.45Å; H650-I653 VanDerWaalsContact CE1-CG1 3.47Å; H650-I653 WeakPolarHBondContact CE1-CG1 3.39Å; H650-I653 VanDerWaalsContact NE2-CG1 3.34Å; H650-I653 WeakPolarHBondContact NE2-CG1 3.3Å; G651-I653 PolarHBondContact O-N 2.8Å; I653-D657 HydrophobicContact CG2-CB 3.8Å; I653-R658 HydrophobicContact CB-CG 3.76Å; I653-R658 HydrophobicContact CG2-CG 3.87Å; I653-R658 WeakPolarHBondContact O-CD 3.42Å; I653-I661 HydrophobicContact CD1-CD1 4.4Å; I653-I661 HydrophobicContact CG2-CD1 4.49Å
654	D	87.9	Confident	89.5	Confident	94 Å²	94	45.5 Å²	45.5	50%	0.503	26%	0.259	S	S	.	.			trans	-57.1	151.8	175.2	173.6	57.8	0	0	0	112.6	Y656 D657 R658	D654-Y656 PolarHBondContact O-N 3.19Å; D654-Y656 WeakPolarHBondContact OD2-CA 3.3Å; D654-Y656 WeakPolarHBondContact OD2-CB 3.38Å; D654-Y656 PolarHBondContact OD2-N 2.81Å; D654-D657 PolarHBondContact O-N 3.37Å; D654-R658 WeakPolarHBondContact O-CB 3.36Å; D654-R658 WeakPolarHBondContact O-CD 3.2Å; D654-R658 WeakPolarHBondContact O-CG 3.19Å; D654-R658 PolarHBondContact O-N 2.86Å
655	Q	84.4	Confident	89.4	Confident	3 Å²	3	43.3 Å²	43.3	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-64.3	-36.7	-177.4	-172.9	56.1	47.4	0	0	113.5	Y480 G482 T483 R658 D659	Y480-Q655 HydrophobicContact CE2-CG 4.46Å; G482-Q655 WeakPolarHBondContact O-CB 3.08Å; T483-Q655 HydrophobicContact CG2-CG 3.89Å; Q655-R658 PolarHBondContact O-N 2.88Å; Q655-D659 PolarHBondContact NE2-OD2 3.33Å; Q655-D659 PolarHBondContact O-N 2.85Å
656	Y	87.2	Confident	89.2	Confident	181 Å²	181	42.7 Å²	42.7	71%	0.71	24%	0.239	S	C	*	.	H	α-helix	trans	-66.5	-46.3	177.6	179.9	-91.2	0	0	0	110.7	D654 D659 S660	D654-Y656 PolarHBondContact O-N 3.19Å; D654-Y656 WeakPolarHBondContact OD2-CA 3.3Å; D654-Y656 WeakPolarHBondContact OD2-CB 3.38Å; D654-Y656 PolarHBondContact OD2-N 2.81Å; Y656-D659 PolarHBondContact O-N 3.2Å; Y656-S660 WeakPolarHBondContact O-CB 3.3Å; Y656-S660 PolarHBondContact O-N 2.8Å
657	D	89.3	Confident	88.9	Confident	85 Å²	85	47.9 Å²	47.9	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-38.6	176.1	-81.6	-15.9	0	0	0	111.9	I653 D654 S660 I661	I653-D657 HydrophobicContact CG2-CB 3.8Å; D654-D657 PolarHBondContact O-N 3.37Å; D657-S660 WeakPolarHBondContact O-CB 3.05Å; D657-S660 PolarHBondContact O-N 3.22Å; D657-I661 WeakPolarHBondContact O-CB 3.41Å; D657-I661 WeakPolarHBondContact O-CD1 3.49Å; D657-I661 VanDerWaalsContact O-CG1 3.25Å; D657-I661 WeakPolarHBondContact O-CG1 3.29Å; D657-I661 PolarHBondContact O-N 2.95Å
658	R	87.7	Confident	88.6	Confident	18 Å²	18	47.4 Å²	47.4	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-59	-49.8	172.4	-75.6	166.5	60	158.8	-2.7	112	E456 L649 H650 G651 I653 D654 Q655 S660 I661 I662	E456-R658 IonicContact OE1-CZ 3.53Å; E456-R658 IonicContact OE1-NE 2.68Å; E456-R658 PolarHBondContact OE1-NE 3.2Å; E456-R658 IonicContact OE1-NH2 3.51Å; E456-R658 PolarHBondContact OE1-NH2 3.18Å; E456-R658 IonicContact OE2-NH2 3.56Å; L649-R658 HydrophobicContact CD1-CB 4.14Å; L649-R658 HydrophobicContact CD1-CG 3.76Å; H650-R658 PolarHBondContact O-NH1 3.08Å; G651-R658 PolarHBondContact O-NH1 3.43Å; G651-R658 VanDerWaalsContact O-NH1 3.12Å; I653-R658 HydrophobicContact CB-CG 3.76Å; I653-R658 HydrophobicContact CG2-CG 3.87Å; I653-R658 WeakPolarHBondContact O-CD 3.42Å; D654-R658 WeakPolarHBondContact O-CB 3.36Å; D654-R658 WeakPolarHBondContact O-CD 3.2Å; D654-R658 WeakPolarHBondContact O-CG 3.19Å; D654-R658 PolarHBondContact O-N 2.86Å; Q655-R658 PolarHBondContact O-N 2.88Å; R658-S660 VanDerWaalsContact C-N 3.29Å; R658-S660 PolarHBondContact O-N 2.86Å; R658-I661 PolarHBondContact O-N 2.7Å; R658-I662 WeakPolarHBondContact O-CB 3.31Å; R658-I662 WeakPolarHBondContact O-CD1 3.49Å; R658-I662 WeakPolarHBondContact O-CG1 3.42Å; R658-I662 PolarHBondContact O-N 2.63Å
659	D	85.8	Confident	88.4	Confident	32 Å²	32	51.5 Å²	51.5	17%	0.171	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-33.1	178.4	-81.7	-43.4	0	0	0	111.7	Q655 Y656 N663	Q655-D659 PolarHBondContact NE2-OD2 3.33Å; Q655-D659 PolarHBondContact O-N 2.85Å; Y656-D659 PolarHBondContact O-N 3.2Å; D659-N663 WeakPolarHBondContact O-CB 3.41Å; D659-N663 VanDerWaalsContact O-CG 3.26Å; D659-N663 PolarHBondContact O-N 3.26Å; D659-N663 PolarHBondContact O-ND2 2.86Å
660	S	90.2	Very high	88.2	Confident	53 Å²	53	51.9 Å²	51.9	37%	0.371	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-57.2	171.8	-169.2	0	0	0	0	111.8	Y656 D657 R658 I662 N663 D664	Y656-S660 WeakPolarHBondContact O-CB 3.3Å; Y656-S660 PolarHBondContact O-N 2.8Å; D657-S660 WeakPolarHBondContact O-CB 3.05Å; D657-S660 PolarHBondContact O-N 3.22Å; R658-S660 VanDerWaalsContact C-N 3.29Å; R658-S660 PolarHBondContact O-N 2.86Å; S660-I662 VanDerWaalsContact C-N 3.3Å; S660-I662 PolarHBondContact O-N 3.49Å; S660-N663 PolarHBondContact O-N 2.72Å; S660-D664 PolarHBondContact O-N 2.9Å
661	I	91.3	Very high	88.3	Confident	26 Å²	26	55.5 Å²	55.5	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-55.4	-43.9	177.6	-71.8	163.5	0	0	0	111.3	M647 I653 D657 R658 N663 D664 F665 L673	M647-I661 HydrophobicContact CB-CG1 4.46Å; M647-I661 HydrophobicContact CB-CG2 3.79Å; M647-I661 HydrophobicContact CG-CG2 4.41Å; M647-I661 HydrophobicContact SD-CB 4.26Å; M647-I661 HydrophobicContact SD-CG1 4.16Å; M647-I661 HydrophobicContact SD-CG2 3.97Å; I653-I661 HydrophobicContact CD1-CD1 4.4Å; I653-I661 HydrophobicContact CG2-CD1 4.49Å; D657-I661 WeakPolarHBondContact O-CB 3.41Å; D657-I661 WeakPolarHBondContact O-CD1 3.49Å; D657-I661 VanDerWaalsContact O-CG1 3.25Å; D657-I661 WeakPolarHBondContact O-CG1 3.29Å; D657-I661 PolarHBondContact O-N 2.95Å; R658-I661 PolarHBondContact O-N 2.7Å; I661-N663 VanDerWaalsContact C-N 3.34Å; I661-N663 PolarHBondContact O-N 3.09Å; I661-D664 PolarHBondContact O-N 2.76Å; I661-F665 WeakPolarHBondContact O-CB 3.32Å; I661-F665 PolarHBondContact O-N 3.1Å; I661-L673 HydrophobicContact CG2-CD1 3.64Å
662	I	88.5	Confident	88.7	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-38.2	177.6	-76.3	169.3	0	0	0	111.7	E456 L649 R658 S660 K666 L683	E456-I662 HydrophobicContact CG-CD1 3.43Å; E456-I662 VanDerWaalsContact CG-CD1 3.43Å; L649-I662 HydrophobicContact CD1-CD1 4.28Å; L649-I662 HydrophobicContact CD1-CG1 4.4Å; L649-I662 HydrophobicContact CD2-CD1 4Å; L649-I662 HydrophobicContact CD2-CG1 3.74Å; R658-I662 WeakPolarHBondContact O-CB 3.31Å; R658-I662 WeakPolarHBondContact O-CD1 3.49Å; R658-I662 WeakPolarHBondContact O-CG1 3.42Å; R658-I662 PolarHBondContact O-N 2.63Å; S660-I662 VanDerWaalsContact C-N 3.3Å; S660-I662 PolarHBondContact O-N 3.49Å; I662-K666 HydrophobicContact CG2-CD 3.85Å; I662-K666 VanDerWaalsContact O-CB 3.28Å; I662-K666 WeakPolarHBondContact O-CB 3.38Å; I662-K666 WeakPolarHBondContact O-CD 3.12Å; I662-K666 WeakPolarHBondContact O-CG 3.29Å; I662-K666 PolarHBondContact O-N 3.16Å; I662-L683 HydrophobicContact CG1-CD1 4.26Å; I662-L683 HydrophobicContact CG2-CD1 3.86Å
663	N	88.6	Confident	89.1	Confident	73 Å²	73	50.8 Å²	50.8	39%	0.39	27%	0.267	S	S	.	.	H	α-helix	trans	-71.3	-43.1	176.5	-77.6	-50.6	0	0	0	111.5	D659 S660 I661 F665 K666 N667	D659-N663 WeakPolarHBondContact O-CB 3.41Å; D659-N663 VanDerWaalsContact O-CG 3.26Å; D659-N663 PolarHBondContact O-N 3.26Å; D659-N663 PolarHBondContact O-ND2 2.86Å; S660-N663 PolarHBondContact O-N 2.72Å; I661-N663 VanDerWaalsContact C-N 3.34Å; I661-N663 PolarHBondContact O-N 3.09Å; N663-F665 PolarHBondContact O-N 2.91Å; N663-K666 PolarHBondContact O-N 2.86Å; N663-N667 VanDerWaalsContact O-CB 3.32Å; N663-N667 WeakPolarHBondContact O-CB 3.41Å; N663-N667 PolarHBondContact O-N 2.83Å; N663-N667 PolarHBondContact O-ND2 2.96Å; N663-N667 VanDerWaalsContact O-ND2 3.14Å
664	D	91.1	Very high	89.5	Confident	48 Å²	48	49.5 Å²	49.5	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.7	-95.5	-18.4	0	0	0	112.7	M647 S660 I661 N667 G668 T669	M647-D664 HydrophobicContact CE-CB 3.96Å; M647-D664 HydrophobicContact SD-CB 4.24Å; S660-D664 PolarHBondContact O-N 2.9Å; I661-D664 PolarHBondContact O-N 2.76Å; D664-N667 PolarHBondContact O-N 2.81Å; D664-G668 PolarHBondContact O-N 2.94Å; D664-T669 HydrophobicContact CB-CG2 4.48Å; D664-T669 PolarHBondContact O-N 3.13Å; D664-T669 WeakPolarHBondContact OD1-CB 3.46Å; D664-T669 WeakPolarHBondContact OD1-CG2 3.45Å; D664-T669 PolarHBondContact OD1-OG1 3.19Å
665	F	90.7	Very high	89.8	Confident	1 Å²	1	45 Å²	45	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-67.1	-36.4	173.2	-171.2	-108.8	0	0	0	112.9	V622 I623 I661 N663 G668 C670 K671 L673 V685 L688	V622-F665 WeakPolarHBondContact O-CE2 3.41Å; V622-F665 WeakPolarHBondContact O-CZ 3.13Å; I623-F665 HydrophobicContact CD1-CE1 3.96Å; I623-F665 HydrophobicContact CD1-CZ 4.34Å; I623-F665 HydrophobicContact CG1-CE1 3.72Å; I623-F665 HydrophobicContact CG1-CZ 3.62Å; I661-F665 WeakPolarHBondContact O-CB 3.32Å; I661-F665 PolarHBondContact O-N 3.1Å; N663-F665 PolarHBondContact O-N 2.91Å; F665-G668 PolarHBondContact O-N 3.46Å; F665-C670 WeakPolarHBondContact CD2-O 3.44Å; F665-K671 WeakPolarHBondContact CE2-O 3.04Å; F665-L673 HydrophobicContact CD1-CB 4.35Å; F665-L673 HydrophobicContact CD1-CD2 3.81Å; F665-L673 HydrophobicContact CD2-CB 3.67Å; F665-L673 HydrophobicContact CD2-CD2 4.48Å; F665-L673 HydrophobicContact CE1-CB 4.24Å; F665-L673 HydrophobicContact CE1-CD2 4.05Å; F665-L673 HydrophobicContact CE2-CB 3.52Å; F665-L673 HydrophobicContact CG-CB 4.08Å; F665-L673 HydrophobicContact CG-CD2 4.05Å; F665-L673 HydrophobicContact CZ-CB 3.84Å; F665-L673 HydrophobicContact CZ-CD2 4.47Å; F665-V685 HydrophobicContact CD1-CG1 4.34Å; F665-V685 HydrophobicContact CD1-CG2 3.84Å; F665-V685 HydrophobicContact CE1-CB 4.4Å; F665-V685 HydrophobicContact CE1-CG1 4.08Å; F665-V685 HydrophobicContact CE1-CG2 3.86Å; F665-L688 HydrophobicContact CE1-CD1 4.24Å; F665-L688 HydrophobicContact CZ-CD1 3.89Å
666	K	87.1	Confident	90.1	Very high	70 Å²	70	45.5 Å²	45.5	30%	0.304	24%	0.239	S	C	.	.	H	α-helix	trans	-70.2	-31.2	174.4	-79.9	167.5	179.9	162.4	0	113.3	I662 N663 D684 V685	I662-K666 HydrophobicContact CG2-CD 3.85Å; I662-K666 VanDerWaalsContact O-CB 3.28Å; I662-K666 WeakPolarHBondContact O-CB 3.38Å; I662-K666 WeakPolarHBondContact O-CD 3.12Å; I662-K666 WeakPolarHBondContact O-CG 3.29Å; I662-K666 PolarHBondContact O-N 3.16Å; N663-K666 PolarHBondContact O-N 2.86Å; K666-D684 WeakPolarHBondContact CE-O 3.34Å; K666-V685 HydrophobicContact CG-CG2 3.99Å
667	N	88.1	Confident	89.8	Confident	125 Å²	125	38 Å²	38	67%	0.668	21%	0.213	S	C	*	.	H	α-helix	trans	-81.5	-21.1	176.7	-68.2	-25.6	0	0	0	112.4	N663 D664	N663-N667 VanDerWaalsContact O-CB 3.32Å; N663-N667 WeakPolarHBondContact O-CB 3.41Å; N663-N667 PolarHBondContact O-N 2.83Å; N663-N667 PolarHBondContact O-ND2 2.96Å; N663-N667 VanDerWaalsContact O-ND2 3.14Å; D664-N667 PolarHBondContact O-N 2.81Å
668	G	87	Confident	89.2	Confident	35 Å²	35	36 Å²	36	36%	0.361	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	14.7	-174.8	0	0	0	0	0	114	D664 F665 C670	D664-G668 PolarHBondContact O-N 2.94Å; F665-G668 PolarHBondContact O-N 3.46Å; G668-C670 VanDerWaalsContact C-N 3.28Å
669	T	89.3	Confident	88.8	Confident	97 Å²	97	35.2 Å²	35.2	60%	0.595	20%	0.202	S	C	*	.	S	Bend	trans	-58.6	-44.6	170.5	-43.2	0	0	0	0	110	D664	D664-T669 HydrophobicContact CB-CG2 4.48Å; D664-T669 PolarHBondContact O-N 3.13Å; D664-T669 WeakPolarHBondContact OD1-CB 3.46Å; D664-T669 WeakPolarHBondContact OD1-CG2 3.45Å; D664-T669 PolarHBondContact OD1-OG1 3.19Å
670	C	89.3	Confident	88.1	Confident	11 Å²	11	33.7 Å²	33.7	7%	0.074	19%	0.193	C	C	.	.			trans	-113.1	135.8	166.5	-171.8	0	0	0	0	109.2	M647 F665 G668 L672	M647-C670 HydrophobicContact CE-CB 3.98Å; M647-C670 HydrophobicContact CG-CB 4.23Å; M647-C670 HydrophobicContact SD-CB 3.63Å; F665-C670 WeakPolarHBondContact CD2-O 3.44Å; G668-C670 VanDerWaalsContact C-N 3.28Å; C670-L672 PolarHBondContact SG-O 3.16Å; C670-L672 VanDerWaalsContact SG-O 3.32Å
671	K	91.9	Very high	87.3	Confident	84 Å²	84	31.4 Å²	31.4	37%	0.365	18%	0.177	S	C	.	.			trans	-94.9	-11.7	177.5	-69.6	-168.2	-176.3	178.8	0	114.1	Q617 E618 S621 V622 F665	Q617-K671 WeakPolarHBondContact O-CD 3.42Å; Q617-K671 PolarHBondContact O-NZ 3.43Å; Q617-K671 VanDerWaalsContact O-NZ 3.15Å; E618-K671 PolarHBondContact O-NZ 3.46Å; S621-K671 CarbonylContact C-O 3.57Å; S621-K671 VanDerWaalsContact CA-O 3.31Å; S621-K671 WeakPolarHBondContact CA-O 3.37Å; V622-K671 PolarHBondContact N-O 3.15Å; F665-K671 WeakPolarHBondContact CE2-O 3.04Å
672	L	93.8	Very high	86	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.5	-169.1	-175.1	57.1	0	0	0	111.1	L613 V622 I624 L639 Y644 C646 M647 C670	L613-L672 HydrophobicContact CD1-CD2 3.79Å; L613-L672 HydrophobicContact CD2-CD1 3.56Å; L613-L672 HydrophobicContact CD2-CD2 4.01Å; L613-L672 HydrophobicContact CD2-CG 4.47Å; V622-L672 HydrophobicContact CB-CD1 3.71Å; V622-L672 HydrophobicContact CG1-CD1 3.78Å; I624-L672 HydrophobicContact CD1-CD1 3.67Å; I624-L672 HydrophobicContact CD1-CG 4.31Å; I624-L672 HydrophobicContact CG1-CD1 4.07Å; L639-L672 HydrophobicContact CD1-CD2 4.2Å; Y644-L672 HydrophobicContact CD1-CD2 4.5Å; C646-L672 WeakPolarHBondContact CA-O 3.22Å; C646-L672 HydrophobicContact CB-CB 3.94Å; C646-L672 HydrophobicContact CB-CD2 3.93Å; C646-L672 HydrophobicContact CB-CG 3.78Å; C646-L672 WeakPolarHBondContact CB-O 3.36Å; M647-L672 PolarHBondContact N-O 2.8Å; M647-L672 VanDerWaalsContact N-O 3.1Å; C670-L672 PolarHBondContact SG-O 3.16Å; C670-L672 VanDerWaalsContact SG-O 3.32Å
673	L	94.3	Very high	85.4	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.7	-177.8	-174.1	69.8	0	0	0	110.2	V622 I623 I624 M647 L649 I661 F665 L683	V622-L673 PolarHBondContact O-N 3.31Å; I623-L673 CarbonylContact C-O 3.6Å; I623-L673 WeakPolarHBondContact CA-O 3.21Å; I623-L673 HydrophobicContact CG1-CB 4.28Å; I623-L673 HydrophobicContact CG1-CD2 4.31Å; I624-L673 PolarHBondContact N-O 3.49Å; M647-L673 HydrophobicContact CB-CD1 4.04Å; L649-L673 HydrophobicContact CB-CD1 4Å; L649-L673 HydrophobicContact CB-CG 4.39Å; L649-L673 HydrophobicContact CD2-CD2 3.99Å; I661-L673 HydrophobicContact CG2-CD1 3.64Å; F665-L673 HydrophobicContact CD1-CB 4.35Å; F665-L673 HydrophobicContact CD1-CD2 3.81Å; F665-L673 HydrophobicContact CD2-CB 3.67Å; F665-L673 HydrophobicContact CD2-CD2 4.48Å; F665-L673 HydrophobicContact CE1-CB 4.24Å; F665-L673 HydrophobicContact CE1-CD2 4.05Å; F665-L673 HydrophobicContact CE2-CB 3.52Å; F665-L673 HydrophobicContact CG-CB 4.08Å; F665-L673 HydrophobicContact CG-CD2 4.05Å; F665-L673 HydrophobicContact CZ-CB 3.84Å; F665-L673 HydrophobicContact CZ-CD2 4.47Å; L673-L683 HydrophobicContact CD2-CD2 4.22Å
674	V	95.7	Very high	84.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.3	168	-174.7	0	0	0	0	107.8	I624 V626 A632 L635 L639 M647 S648 L649	I624-V674 HydrophobicContact CD1-CG2 4.08Å; I624-V674 CarbonylContact O-C 3.59Å; I624-V674 WeakPolarHBondContact O-CA 3.45Å; V626-V674 HydrophobicContact CG1-CG1 4.28Å; V626-V674 HydrophobicContact CG2-CG1 4.4Å; A632-V674 HydrophobicContact CB-CG1 4.02Å; L635-V674 HydrophobicContact CB-CG1 4.36Å; L635-V674 HydrophobicContact CD2-CG1 4.11Å; L635-V674 HydrophobicContact CD2-CG2 4.47Å; L635-V674 HydrophobicContact CG-CG1 4.5Å; L635-V674 HydrophobicContact CG-CG2 4.43Å; L639-V674 HydrophobicContact CD1-CG2 3.74Å; M647-V674 PolarHBondContact O-N 2.87Å; S648-V674 CarbonylContact C-O 3.55Å; S648-V674 VanDerWaalsContact CA-O 3.24Å; S648-V674 WeakPolarHBondContact CA-O 3.23Å; L649-V674 PolarHBondContact N-O 3.19Å
675	A	93.9	Very high	84.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	154.2	-175.6	0	0	0	0	0	113.8	I623 I624 F625 V626 L649 A679	I623-A675 HydrophobicContact CG2-CB 4.5Å; I624-A675 PolarHBondContact O-N 3.26Å; F625-A675 CarbonylContact C-O 3.57Å; F625-A675 VanDerWaalsContact CA-O 3.3Å; F625-A675 WeakPolarHBondContact CA-O 3.35Å; F625-A675 HydrophobicContact CD1-CB 4.35Å; F625-A675 HydrophobicContact CE1-CB 4.24Å; V626-A675 WeakPolarHBondContact CG2-O 3.29Å; V626-A675 PolarHBondContact N-O 3.03Å; L649-A675 HydrophobicContact CB-CB 4.09Å; L649-A675 VanDerWaalsContact O-CA 3.27Å; L649-A675 WeakPolarHBondContact O-CA 3.33Å; A675-A679 HydrophobicContact CB-CB 3.54Å
676	T	91.1	Very high	83.2	Confident	13 Å²	13	36 Å²	36	8%	0.08	20%	0.195	C	C	.	.			trans	-82.4	179.9	165	56	0	0	0	0	110.6	V626 L649 H650 V678 A679	V626-T676 HydrophobicContact CG2-CG2 4.25Å; L649-T676 PolarHBondContact O-N 2.87Å; L649-T676 VanDerWaalsContact O-N 3.09Å; H650-T676 WeakPolarHBondContact CA-OG1 3.43Å; H650-T676 HydrophobicContact CB-CG2 3.73Å; T676-V678 PolarHBondContact O-N 2.94Å; T676-V678 WeakPolarHBondContact OG1-CG2 2.88Å; T676-A679 PolarHBondContact O-N 2.89Å; T676-A679 VanDerWaalsContact O-N 3.12Å
677	S	81.3	Confident	82.8	Confident	22 Å²	22	39 Å²	39	15%	0.154	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.2	-11.5	174.6	-85.9	0	0	0	0	114.7	A679 A680 D702 R706	S677-A679 VanDerWaalsContact C-N 3.25Å; S677-A679 PolarHBondContact O-N 3.32Å; S677-A680 VanDerWaalsContact O-CB 3.26Å; S677-A680 WeakPolarHBondContact O-CB 3.23Å; S677-A680 PolarHBondContact O-N 2.88Å; S677-A680 VanDerWaalsContact O-N 3.08Å; S677-D702 WeakPolarHBondContact CB-OD2 3.25Å; S677-D702 PolarHBondContact OG-OD2 2.84Å; S677-R706 PolarHBondContact OG-NE 2.69Å; S677-R706 PolarHBondContact OG-NH2 3.2Å
678	V	76.8	Confident	82.9	Confident	43 Å²	43	33.6 Å²	33.6	26%	0.261	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-52.3	-42.9	170.1	179	0	0	0	0	111.6	T676	T676-V678 PolarHBondContact O-N 2.94Å; T676-V678 WeakPolarHBondContact OG1-CG2 2.88Å
679	A	79.9	Confident	83.1	Confident	3 Å²	3	34 Å²	34	3%	0.025	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-87.2	-4.1	179.9	0	0	0	0	0	114.1	F625 L649 A675 T676 S677 R681 L683	F625-A679 HydrophobicContact CE1-CB 4.04Å; L649-A679 HydrophobicContact CD2-CB 3.89Å; L649-A679 HydrophobicContact CG-CB 4.47Å; A675-A679 HydrophobicContact CB-CB 3.54Å; T676-A679 PolarHBondContact O-N 2.89Å; T676-A679 VanDerWaalsContact O-N 3.12Å; S677-A679 VanDerWaalsContact C-N 3.25Å; S677-A679 PolarHBondContact O-N 3.32Å; A679-R681 PolarHBondContact O-N 3.06Å; A679-L683 HydrophobicContact CB-CD2 4.47Å
680	A	70.9	Confident	83.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-69.2	-11.2	177.5	0	0	0	0	0	112.8	F625 S677 H705 R706 R709	F625-A680 HydrophobicContact CE1-CB 3.89Å; F625-A680 VanDerWaalsContact CZ-CA 3.49Å; F625-A680 HydrophobicContact CZ-CB 4Å; S677-A680 VanDerWaalsContact O-CB 3.26Å; S677-A680 WeakPolarHBondContact O-CB 3.23Å; S677-A680 PolarHBondContact O-N 2.88Å; S677-A680 VanDerWaalsContact O-N 3.08Å; A680-H705 CarbonylContact O-C 3.39Å; A680-H705 VanDerWaalsContact O-O 3.07Å; A680-R706 HydrophobicContact CB-CB 4.47Å; A680-R706 HydrophobicContact CB-CG 3.45Å; A680-R706 VanDerWaalsContact CB-CG 3.45Å; A680-R709 PolarHBondContact O-NE 3.25Å; A680-R709 PolarHBondContact O-NH2 3.49Å
681	R	73.8	Confident	83.6	Confident	5 Å²	5	28.8 Å²	28.8	2%	0.019	14%	0.142	C	C	.	.	S	Bend	trans	-137.1	154.2	-170.3	-72.5	-177.4	-170.7	-113.2	12.6	109.4	E530 D532 A679 L683 D702 H705	E530-R681 WeakPolarHBondContact OE2-CB 3.46Å; E530-R681 WeakPolarHBondContact OE2-CD 3.33Å; E530-R681 WeakPolarHBondContact OE2-CG 3.41Å; E530-R681 IonicContact OE2-NH1 3.88Å; D532-R681 IonicContact OD1-NH1 2.91Å; D532-R681 PolarHBondContact OD1-NH1 3.36Å; D532-R681 IonicContact OD2-CZ 2.7Å; D532-R681 IonicContact OD2-NH1 3.53Å; D532-R681 PolarHBondContact OD2-NH1 3.09Å; D532-R681 IonicContact OD2-NH2 3.73Å; D532-R681 PolarHBondContact OD2-NH2 2.9Å; A679-R681 PolarHBondContact O-N 3.06Å; R681-L683 PolarHBondContact O-N 2.87Å; R681-D702 IonicContact CZ-OD1 3.96Å; R681-D702 IonicContact NE-OD1 3.48Å; R681-D702 PolarHBondContact NE-OD1 3.19Å; R681-D702 VanDerWaalsContact NE-OD1 3.08Å; R681-D702 IonicContact NH2-OD1 2.85Å; R681-D702 PolarHBondContact NH2-OD1 2.9Å; R681-H705 HydrophobicContact CG-CB 4.15Å; R681-H705 PolarHBondContact NH1-CD2 2.84Å; R681-H705 VanDerWaalsContact NH1-CD2 3.25Å; R681-H705 PolarHBondContact NH1-CE1 2.88Å; R681-H705 PolarHBondContact NH1-NE2 3.31Å; R681-H705 PolarHBondContact NH2-CD2 2.85Å; R681-H705 VanDerWaalsContact NH2-CD2 3.29Å
682	G	63.3	Low	83.9	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	72.5	-52.8	-178.9	0	0	0	0	0	117.1	Q460 E530 D684	Q460-G682 PolarHBondContact NE2-O 2.65Å; Q460-G682 PolarHBondContact OE1-O 3.09Å; E530-G682 PolarHBondContact OE1-N 2.91Å; E530-G682 VanDerWaalsContact OE1-N 3.09Å; G682-D684 PolarHBondContact O-N 2.98Å
683	L	74.8	Confident	84	Confident	7 Å²	7	24.8 Å²	24.8	4%	0.037	12%	0.124	C	C	.	.			trans	-59.1	125.5	-171.6	-164.7	71.7	0	0	0	112.8	I623 I662 L673 A679 R681 V685 R709 R712	I623-L683 HydrophobicContact CD1-CD2 3.89Å; I662-L683 HydrophobicContact CG1-CD1 4.26Å; I662-L683 HydrophobicContact CG2-CD1 3.86Å; L673-L683 HydrophobicContact CD2-CD2 4.22Å; A679-L683 HydrophobicContact CB-CD2 4.47Å; R681-L683 PolarHBondContact O-N 2.87Å; L683-V685 HydrophobicContact CD1-CG2 4.49Å; L683-V685 HydrophobicContact CD2-CG2 4.12Å; L683-V685 HydrophobicContact CG-CG2 3.97Å; L683-R709 PolarHBondContact O-NH1 3.19Å; L683-R712 PolarHBondContact O-NH1 3.06Å; L683-R712 VanDerWaalsContact O-NH1 3.1Å
684	D	73.4	Confident	84.1	Confident	67 Å²	67	26.1 Å²	26.1	36%	0.358	13%	0.129	S	C	.	.			trans	-116.1	127.6	167.8	-167.5	58.4	0	0	0	111.4	Q460 K666 G682 R712	Q460-D684 VanDerWaalsContact OE1-N 3.11Å; K666-D684 WeakPolarHBondContact CE-O 3.34Å; G682-D684 PolarHBondContact O-N 2.98Å; D684-R712 WeakPolarHBondContact OD1-CD 3.44Å; D684-R712 IonicContact OD1-CZ 2.75Å; D684-R712 IonicContact OD1-NE 2.72Å; D684-R712 IonicContact OD1-NH1 2.59Å; D684-R712 PolarHBondContact OD1-NH1 3.47Å
685	V	79.1	Confident	83.9	Confident	12 Å²	12	26.5 Å²	26.5	7%	0.073	13%	0.132	C	C	.	.			trans	-141.3	120.3	-176.3	-179.9	0	0	0	0	108	F665 K666 L683 H687 L688	F665-V685 HydrophobicContact CD1-CG1 4.34Å; F665-V685 HydrophobicContact CD1-CG2 3.84Å; F665-V685 HydrophobicContact CE1-CB 4.4Å; F665-V685 HydrophobicContact CE1-CG1 4.08Å; F665-V685 HydrophobicContact CE1-CG2 3.86Å; K666-V685 HydrophobicContact CG-CG2 3.99Å; L683-V685 HydrophobicContact CD1-CG2 4.49Å; L683-V685 HydrophobicContact CD2-CG2 4.12Å; L683-V685 HydrophobicContact CG-CG2 3.97Å; V685-H687 VanDerWaalsContact C-N 3.31Å; V685-H687 PolarHBondContact O-N 3.24Å; V685-L688 HydrophobicContact CB-CB 4.31Å; V685-L688 HydrophobicContact CG1-CB 4.35Å
686	K	72.2	Confident	83.8	Confident	161 Å²	161	26.7 Å²	26.7	70%	0.7	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-26.3	-167.2	-65.3	-178.3	179.6	178.2	0	115	N715	K686-N715 PolarHBondContact O-ND2 3.15Å
687	H	79.7	Confident	83.6	Confident	131 Å²	131	26.3 Å²	26.3	61%	0.606	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	29.7	-172.4	-62.1	-66.5	0	0	0	112.5	S621 V685 I689	S621-H687 PolarHBondContact N-O 3.39Å; V685-H687 VanDerWaalsContact C-N 3.31Å; V685-H687 PolarHBondContact O-N 3.24Å; H687-I689 PolarHBondContact O-N 3.2Å
688	L	89.3	Confident	83.7	Confident	12 Å²	12	29.6 Å²	29.6	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	108.2	169.7	-172.4	76.5	0	0	0	110	I623 F665 V685 V691 R709 T710	I623-L688 HydrophobicContact CB-CD1 4.15Å; I623-L688 HydrophobicContact CD1-CD1 3.84Å; I623-L688 HydrophobicContact CD1-CD2 3.77Å; I623-L688 HydrophobicContact CD1-CG 4.49Å; I623-L688 HydrophobicContact CG1-CD1 3.59Å; I623-L688 HydrophobicContact CG1-CD2 4.34Å; F665-L688 HydrophobicContact CE1-CD1 4.24Å; F665-L688 HydrophobicContact CZ-CD1 3.89Å; V685-L688 HydrophobicContact CB-CB 4.31Å; V685-L688 HydrophobicContact CG1-CB 4.35Å; L688-V691 HydrophobicContact CD2-CG2 3.92Å; L688-R709 HydrophobicContact CD2-CB 3.5Å; L688-R709 VanDerWaalsContact CD2-CB 3.5Å; L688-T710 WeakPolarHBondContact O-CB 3.38Å; L688-T710 PolarHBondContact O-OG1 2.75Å
689	I	92.5	Very high	83.9	Confident	43 Å²	43	31.8 Å²	31.8	22%	0.221	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-40.9	-178.2	-63.9	-175.3	0	0	0	111.2	Y616 S619 S621 H687 T710 G717 Y718	Y616-I689 HydrophobicContact CD1-CG2 4.06Å; Y616-I689 HydrophobicContact CE1-CG2 4.47Å; S619-I689 VanDerWaalsContact O-CD1 3.26Å; S619-I689 WeakPolarHBondContact O-CD1 3.31Å; S621-I689 PolarHBondContact O-N 3.49Å; H687-I689 PolarHBondContact O-N 3.2Å; I689-T710 PolarHBondContact O-OG1 3.21Å; I689-G717 WeakPolarHBondContact O-CA 3.43Å; I689-Y718 HydrophobicContact CG2-CD2 3.86Å; I689-Y718 HydrophobicContact CG2-CE2 4.12Å; I689-Y718 PolarHBondContact O-N 3.1Å
690	L	94.1	Very high	84.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135	-174.2	176.1	65.3	0	0	0	111.2	L612 Y616 V622 I623 V692 Y718 Y720	L612-L690 HydrophobicContact CB-CD2 4.35Å; Y616-L690 HydrophobicContact CD1-CB 4.49Å; Y616-L690 HydrophobicContact CD2-CD1 4.43Å; Y616-L690 HydrophobicContact CD2-CD2 3.79Å; Y616-L690 HydrophobicContact CG-CB 4.26Å; Y616-L690 HydrophobicContact CG-CD2 3.88Å; Y616-L690 HydrophobicContact CG-CG 4.5Å; V622-L690 WeakPolarHBondContact CA-O 3.3Å; V622-L690 HydrophobicContact CB-CB 4.46Å; V622-L690 HydrophobicContact CG1-CB 4.03Å; V622-L690 HydrophobicContact CG1-CD2 3.76Å; V622-L690 HydrophobicContact CG1-CG 3.91Å; V622-L690 HydrophobicContact CG2-CB 4.1Å; V622-L690 HydrophobicContact CG2-CD2 4.31Å; I623-L690 PolarHBondContact N-O 3.23Å; I623-L690 VanDerWaalsContact N-O 3.09Å; L690-V692 HydrophobicContact CD1-CG2 4.04Å; L690-V692 HydrophobicContact CD2-CG2 3.69Å; L690-V692 HydrophobicContact CG-CG2 3.75Å; L690-Y718 WeakPolarHBondContact CA-O 3.35Å; L690-Y720 HydrophobicContact CD1-CD2 3.48Å; L690-Y720 VanDerWaalsContact CD1-CD2 3.48Å; L690-Y720 HydrophobicContact CD1-CE2 4.11Å; L690-Y720 HydrophobicContact CD1-CG 4.39Å
691	V	95	Very high	84.8	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.9	161.2	176.2	0	0	0	0	107.7	I623 F625 L688 R709 T710 Y718 A719 Y720	I623-V691 CarbonylContact O-C 3.53Å; I623-V691 WeakPolarHBondContact O-CA 3.4Å; F625-V691 HydrophobicContact CD2-CG1 3.67Å; F625-V691 HydrophobicContact CE2-CG1 3.81Å; L688-V691 HydrophobicContact CD2-CG2 3.92Å; V691-R709 HydrophobicContact CG2-CB 4.04Å; V691-T710 HydrophobicContact CB-CG2 4.48Å; V691-T710 HydrophobicContact CG2-CG2 3.81Å; V691-Y718 PolarHBondContact N-O 2.72Å; V691-A719 CarbonylContact O-C 3.34Å; V691-A719 WeakPolarHBondContact O-CA 3.34Å; V691-Y720 PolarHBondContact O-N 3.02Å
692	V	96.6	Very high	85.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	112.9	171.5	-171.9	0	0	0	0	108.9	L609 L612 I623 I624 F625 L690 Y694 Y720 F722	L609-V692 HydrophobicContact CD1-CB 4.37Å; L609-V692 HydrophobicContact CD1-CG1 4.09Å; L609-V692 HydrophobicContact CD1-CG2 4.2Å; L612-V692 HydrophobicContact CD1-CG1 4.5Å; L612-V692 HydrophobicContact CD1-CG2 4.33Å; I623-V692 PolarHBondContact O-N 3.37Å; I624-V692 CarbonylContact C-O 3.56Å; I624-V692 WeakPolarHBondContact CA-O 3.26Å; I624-V692 HydrophobicContact CG1-CB 4.39Å; I624-V692 HydrophobicContact CG2-CB 4.45Å; F625-V692 PolarHBondContact N-O 3.22Å; L690-V692 HydrophobicContact CD1-CG2 4.04Å; L690-V692 HydrophobicContact CD2-CG2 3.69Å; L690-V692 HydrophobicContact CG-CG2 3.75Å; V692-Y694 PolarHBondContact O-N 3.12Å; V692-Y720 CarbonylContact C-O 3.56Å; V692-Y720 WeakPolarHBondContact CA-O 3.41Å; V692-F722 HydrophobicContact CG1-CE1 4.49Å; V692-F722 HydrophobicContact CG1-CE2 4.07Å; V692-F722 HydrophobicContact CG1-CZ 4.02Å
693	N	96.4	Very high	86.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	96.2	164	-61.8	-49.2	0	0	0	107.7	R706 Y720 T721 F722	N693-R706 WeakPolarHBondContact OD1-CD 3.36Å; N693-Y720 PolarHBondContact N-O 3.4Å; N693-T721 HydrophobicContact CB-CG2 3.92Å; N693-T721 PolarHBondContact ND2-OG1 3.02Å; N693-F722 PolarHBondContact O-N 3.41Å
694	Y	95.7	Very high	87.2	Confident	29 Å²	29	33.8 Å²	33.8	11%	0.114	16%	0.163	C	C	.	.	S	Bend	trans	-76	-41.7	177.6	-171.4	-82.1	0	0	0	110.8	K605 F606 L609 I624 F625 V626 L635 V692 F722	K605-Y694 HydrophobicContact CB-CD2 4.42Å; K605-Y694 HydrophobicContact CB-CE1 4.18Å; K605-Y694 HydrophobicContact CB-CE2 3.69Å; K605-Y694 WeakPolarHBondContact CB-OH 3.12Å; K605-Y694 HydrophobicContact CD-CD1 4.26Å; K605-Y694 HydrophobicContact CD-CE1 3.93Å; K605-Y694 PolarHBondContact NZ-O 3.39Å; F606-Y694 PolarHBondContact N-OH 2.85Å; L609-Y694 HydrophobicContact CB-CD2 4.3Å; L609-Y694 HydrophobicContact CB-CE2 4.16Å; L609-Y694 HydrophobicContact CD2-CD2 3.92Å; L609-Y694 HydrophobicContact CD2-CE2 3.96Å; I624-Y694 HydrophobicContact CG2-CG 4.4Å; F625-Y694 PolarHBondContact O-N 3.03Å; V626-Y694 HydrophobicContact CG1-CD1 4.42Å; L635-Y694 HydrophobicContact CD1-CE2 4.27Å; L635-Y694 HydrophobicContact CD2-CD1 4.4Å; L635-Y694 HydrophobicContact CD2-CD2 4.13Å; L635-Y694 HydrophobicContact CD2-CE2 4.4Å; L635-Y694 HydrophobicContact CD2-CG 4.13Å; V692-Y694 PolarHBondContact O-N 3.12Å; Y694-F722 AromaticContact CD2-CD2 3.96Å; Y694-F722 HydrophobicContact CD2-CD2 3.96Å; Y694-F722 AromaticContact CD2-CE2 3.83Å; Y694-F722 HydrophobicContact CD2-CE2 3.83Å; Y694-F722 HydrophobicContact CE2-CD2 4.47Å; Y694-F722 HydrophobicContact CE2-CE2 4.26Å; Y694-F722 HydrophobicContact CG-CD2 4.35Å
695	S	92.5	Very high	87.8	Confident	8 Å²	8	30.6 Å²	30.6	6%	0.056	15%	0.146	C	C	.	.	S	Bend	trans	-100.1	125	163.4	-45.7	0	0	0	0	108.8	F625 V626 D627 R706	F625-S695 PolarHBondContact O-N 2.91Å; V626-S695 WeakPolarHBondContact CA-OG 3.5Å; D627-S695 PolarHBondContact N-OG 2.93Å; D627-S695 VanDerWaalsContact OD1-CB 3.27Å; D627-S695 WeakPolarHBondContact OD1-CB 3.45Å; D627-S695 PolarHBondContact OD1-OG 3.43Å; S695-R706 PolarHBondContact O-NH1 3.47Å
696	C	91	Very high	88.3	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.02	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-56.4	132.1	177.8	-176.8	0	0	0	0	110.5	N698 I734	C696-N698 PolarHBondContact O-N 3.14Å; C696-I734 VanDerWaalsContact SG-CD1 3.51Å
697	P	87.6	Confident	89.2	Confident	5 Å²	5	22.8 Å²	22.8	3%	0.032	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-71.7	129	179.5	27.4	-33.6	0	0	0	111.8	H699 D702 Y703	P697-H699 PolarHBondContact O-N 3.47Å; P697-D702 HydrophobicContact CB-CB 4.46Å; P697-Y703 HydrophobicContact CG-CD2 3.8Å; P697-Y703 HydrophobicContact CG-CG 4.23Å
698	N	83.6	Confident	89.5	Confident	92 Å²	92	16.5 Å²	16.5	49%	0.492	8%	0.081	S	C	.	.	S	Bend	trans	-61.5	-19.1	-175.7	-55.7	2	0	0	0	114.3	C696 Y730	C696-N698 PolarHBondContact O-N 3.14Å; N698-Y730 HydrophobicContact CB-CE1 4.21Å; N698-Y730 VanDerWaalsContact O-CE1 3.28Å; N698-Y730 WeakPolarHBondContact O-CE1 3.45Å
699	H	81.6	Confident	89.4	Confident	88 Å²	88	16.3 Å²	16.3	41%	0.407	8%	0.08	S	C	.	.	S	Bend	trans	-133.8	140.5	-173.6	-63.9	-15.7	0	0	0	111.8	D536 P697 E701 D702 Y703	D536-H699 IonicContact OD1-CD2 3.63Å; P697-H699 PolarHBondContact O-N 3.47Å; H699-E701 VanDerWaalsContact C-N 3.3Å; H699-E701 PolarHBondContact O-N 3.43Å; H699-D702 PolarHBondContact O-N 3.42Å; H699-D702 VanDerWaalsContact O-N 3.16Å; H699-Y703 PolarHBondContact O-N 3.09Å; H699-Y703 VanDerWaalsContact O-N 3.14Å
700	Y	84.9	Confident	89.3	Confident	15 Å²	15	14.3 Å²	14.3	6%	0.059	7%	0.07	C	C	.	.	H	α-helix	trans	-54.1	-43.2	178.5	177.4	-108	0	0	0	112.9	S587 Y703 V704 D733 K736 A737 L740	S587-Y700 PolarHBondContact O-OH 3.37Å; Y700-Y703 WeakPolarHBondContact O-CB 3.27Å; Y700-Y703 PolarHBondContact O-N 2.97Å; Y700-V704 HydrophobicContact CE1-CG2 4.43Å; Y700-V704 WeakPolarHBondContact O-CG2 3.31Å; Y700-V704 PolarHBondContact O-N 3.31Å; Y700-D733 HydrophobicContact CD2-CB 4.11Å; Y700-D733 WeakPolarHBondContact CD2-O 3.47Å; Y700-D733 WeakPolarHBondContact CE2-O 3.26Å; Y700-K736 HydrophobicContact CE2-CG 4.38Å; Y700-K736 VanDerWaalsContact CE2-NZ 3.26Å; Y700-A737 HydrophobicContact CD2-CB 4.48Å; Y700-A737 HydrophobicContact CE2-CB 3.78Å; Y700-L740 WeakPolarHBondContact OH-CD1 3.2Å
701	E	83.1	Confident	88.8	Confident	27 Å²	27	14.5 Å²	14.5	13%	0.126	7%	0.072	C	C	.	.	H	α-helix	trans	-61.5	-45	178.4	-72.7	66.6	-155.1	0	0	111.7	T562 H699 Y703 V704 H705	T562-E701 HydrophobicContact CG2-CB 4.06Å; T562-E701 HydrophobicContact CG2-CG 3.85Å; H699-E701 VanDerWaalsContact C-N 3.3Å; H699-E701 PolarHBondContact O-N 3.43Å; E701-Y703 PolarHBondContact O-N 3.04Å; E701-V704 PolarHBondContact O-N 3.08Å; E701-H705 PolarHBondContact O-CD2 3.22Å; E701-H705 PolarHBondContact O-N 3.21Å; E701-H705 VanDerWaalsContact O-N 3.08Å
702	D	85.8	Confident	88	Confident	10 Å²	10	15.9 Å²	15.9	5%	0.053	8%	0.077	C	C	.	.	H	α-helix	trans	-69.3	-31.7	179.5	-99.1	18.4	0	0	0	112.2	R533 S677 R681 P697 H699 V704 H705 R706	R533-D702 IonicContact CZ-OD2 3.19Å; R533-D702 VanDerWaalsContact NH1-CG 3.3Å; R533-D702 IonicContact NH1-OD1 3.37Å; R533-D702 PolarHBondContact NH1-OD1 2.78Å; R533-D702 VanDerWaalsContact NH1-OD1 3.09Å; R533-D702 IonicContact NH1-OD2 2.66Å; R533-D702 PolarHBondContact NH1-OD2 3.23Å; R533-D702 IonicContact NH2-OD2 2.7Å; S677-D702 WeakPolarHBondContact CB-OD2 3.25Å; S677-D702 PolarHBondContact OG-OD2 2.84Å; R681-D702 IonicContact CZ-OD1 3.96Å; R681-D702 IonicContact NE-OD1 3.48Å; R681-D702 PolarHBondContact NE-OD1 3.19Å; R681-D702 VanDerWaalsContact NE-OD1 3.08Å; R681-D702 IonicContact NH2-OD1 2.85Å; R681-D702 PolarHBondContact NH2-OD1 2.9Å; P697-D702 HydrophobicContact CB-CB 4.46Å; H699-D702 PolarHBondContact O-N 3.42Å; H699-D702 VanDerWaalsContact O-N 3.16Å; D702-V704 VanDerWaalsContact C-N 3.35Å; D702-V704 PolarHBondContact O-N 3.45Å; D702-H705 PolarHBondContact O-N 3.47Å; D702-R706 WeakPolarHBondContact O-CB 3.37Å; D702-R706 VanDerWaalsContact O-CG 3.25Å; D702-R706 WeakPolarHBondContact O-CG 3.46Å; D702-R706 PolarHBondContact O-N 3.38Å
703	Y	90	Very high	86.7	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-55.6	-49.5	168.1	179.3	-91.1	0	0	0	111.5	V589 Q595 P697 H699 Y700 E701 H705 R706 A707 T721 I734 A737	V589-Y703 HydrophobicContact CG2-CD1 4.33Å; V589-Y703 HydrophobicContact CG2-CE1 4.13Å; Q595-Y703 PolarHBondContact OE1-OH 3.16Å; P697-Y703 HydrophobicContact CG-CD2 3.8Å; P697-Y703 HydrophobicContact CG-CG 4.23Å; H699-Y703 PolarHBondContact O-N 3.09Å; H699-Y703 VanDerWaalsContact O-N 3.14Å; Y700-Y703 WeakPolarHBondContact O-CB 3.27Å; Y700-Y703 PolarHBondContact O-N 2.97Å; E701-Y703 PolarHBondContact O-N 3.04Å; Y703-H705 VanDerWaalsContact C-N 3.32Å; Y703-H705 PolarHBondContact O-N 3.46Å; Y703-R706 PolarHBondContact O-N 3.33Å; Y703-A707 WeakPolarHBondContact O-CB 3.46Å; Y703-A707 PolarHBondContact O-N 2.94Å; Y703-T721 HydrophobicContact CE2-CG2 4.22Å; Y703-T721 WeakPolarHBondContact CE2-OG1 3.47Å; Y703-I734 HydrophobicContact CD2-CD1 4.39Å; Y703-I734 HydrophobicContact CD2-CG1 4.08Å; Y703-I734 HydrophobicContact CE2-CD1 4.46Å; Y703-I734 HydrophobicContact CE2-CG1 4.19Å; Y703-I734 HydrophobicContact CE2-CG2 4.17Å; Y703-A737 HydrophobicContact CD1-CB 3.84Å; Y703-A737 HydrophobicContact CE1-CB 3.55Å
704	V	87.8	Confident	85.6	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-37.4	-178.9	175.4	0	0	0	0	111.7	S587 V589 Y700 E701 D702 G708	S587-V704 WeakPolarHBondContact O-CG2 3.24Å; V589-V704 HydrophobicContact CG2-CB 4.26Å; V589-V704 HydrophobicContact CG2-CG1 4.23Å; V589-V704 HydrophobicContact CG2-CG2 3.87Å; Y700-V704 HydrophobicContact CE1-CG2 4.43Å; Y700-V704 WeakPolarHBondContact O-CG2 3.31Å; Y700-V704 PolarHBondContact O-N 3.31Å; E701-V704 PolarHBondContact O-N 3.08Å; D702-V704 VanDerWaalsContact C-N 3.35Å; D702-V704 PolarHBondContact O-N 3.45Å; V704-G708 WeakPolarHBondContact O-CA 3.34Å; V704-G708 PolarHBondContact O-N 3.01Å
705	H	85.8	Confident	84.9	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-76.7	-36.7	178.4	-77.3	-76	0	0	0	114.2	D532 A680 R681 E701 D702 Y703 G708 R709	D532-H705 IonicContact OD1-NE2 3.66Å; D532-H705 IonicContact OD2-CD2 3.52Å; D532-H705 IonicContact OD2-CE1 2.7Å; D532-H705 IonicContact OD2-NE2 2.65Å; D532-H705 PolarHBondContact OD2-NE2 3.46Å; A680-H705 CarbonylContact O-C 3.39Å; A680-H705 VanDerWaalsContact O-O 3.07Å; R681-H705 HydrophobicContact CG-CB 4.15Å; R681-H705 PolarHBondContact NH1-CD2 2.84Å; R681-H705 VanDerWaalsContact NH1-CD2 3.25Å; R681-H705 PolarHBondContact NH1-CE1 2.88Å; R681-H705 PolarHBondContact NH1-NE2 3.31Å; R681-H705 PolarHBondContact NH2-CD2 2.85Å; R681-H705 VanDerWaalsContact NH2-CD2 3.29Å; E701-H705 PolarHBondContact O-CD2 3.22Å; E701-H705 PolarHBondContact O-N 3.21Å; E701-H705 VanDerWaalsContact O-N 3.08Å; D702-H705 PolarHBondContact O-N 3.47Å; Y703-H705 VanDerWaalsContact C-N 3.32Å; Y703-H705 PolarHBondContact O-N 3.46Å; H705-G708 CarbonylContact O-C 3.57Å; H705-R709 PolarHBondContact O-N 2.73Å; H705-R709 PolarHBondContact O-NE 2.82Å
706	R	90.3	Very high	84.7	Confident	8 Å²	8	33.5 Å²	33.5	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-56.8	172.4	-73.7	-178.6	-176.3	-162.2	-6.1	110.6	F625 V626 S677 A680 N693 S695 D702 Y703 G708 R709	F625-R706 HydrophobicContact CB-CG 4.49Å; F625-R706 HydrophobicContact CD1-CG 4.19Å; F625-R706 HydrophobicContact CD2-CB 3.71Å; F625-R706 HydrophobicContact CD2-CG 3.62Å; F625-R706 HydrophobicContact CE1-CG 4.36Å; F625-R706 HydrophobicContact CE2-CB 3.77Å; F625-R706 HydrophobicContact CE2-CG 3.81Å; F625-R706 HydrophobicContact CG-CB 4.42Å; F625-R706 HydrophobicContact CG-CG 3.84Å; F625-R706 HydrophobicContact CZ-CG 4.19Å; V626-R706 PolarHBondContact O-NH2 3.05Å; S677-R706 PolarHBondContact OG-NE 2.69Å; S677-R706 PolarHBondContact OG-NH2 3.2Å; A680-R706 HydrophobicContact CB-CB 4.47Å; A680-R706 HydrophobicContact CB-CG 3.45Å; A680-R706 VanDerWaalsContact CB-CG 3.45Å; N693-R706 WeakPolarHBondContact OD1-CD 3.36Å; S695-R706 PolarHBondContact O-NH1 3.47Å; D702-R706 WeakPolarHBondContact O-CB 3.37Å; D702-R706 VanDerWaalsContact O-CG 3.25Å; D702-R706 WeakPolarHBondContact O-CG 3.46Å; D702-R706 PolarHBondContact O-N 3.38Å; Y703-R706 PolarHBondContact O-N 3.33Å; R706-G708 VanDerWaalsContact C-N 3.25Å; R706-G708 PolarHBondContact O-N 3.16Å; R706-R709 WeakPolarHBondContact O-CB 3.4Å; R706-R709 WeakPolarHBondContact O-CG 3.14Å; R706-R709 PolarHBondContact O-N 2.93Å
707	A	89.7	Confident	84.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.4	-41.4	175.3	0	0	0	0	0	111.3	V589 Y703 R709 T710 A719	V589-A707 HydrophobicContact CG1-CB 3.99Å; Y703-A707 WeakPolarHBondContact O-CB 3.46Å; Y703-A707 PolarHBondContact O-N 2.94Å; A707-R709 PolarHBondContact O-N 3.37Å; A707-T710 PolarHBondContact O-N 3.12Å; A707-A719 HydrophobicContact CB-CB 3.86Å
708	G	86.4	Confident	85	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	8	174.1	0	0	0	0	0	116.4	T418 V704 H705 R706 R712	T418-G708 VanDerWaalsContact CB-O 3.23Å; T418-G708 WeakPolarHBondContact CB-O 3.3Å; T418-G708 WeakPolarHBondContact OG1-CA 3.32Å; T418-G708 PolarHBondContact OG1-O 3Å; V704-G708 WeakPolarHBondContact O-CA 3.34Å; V704-G708 PolarHBondContact O-N 3.01Å; H705-G708 CarbonylContact O-C 3.57Å; R706-G708 VanDerWaalsContact C-N 3.25Å; R706-G708 PolarHBondContact O-N 3.16Å; G708-R712 PolarHBondContact O-NE 3.37Å; G708-R712 VanDerWaalsContact O-NE 3.16Å; G708-R712 PolarHBondContact O-NH2 3.1Å
709	R	87.9	Confident	85.6	Confident	7 Å²	7	31.9 Å²	31.9	3%	0.026	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-37.1	163	-67.1	-54	99.5	176.7	15.8	111.8	E530 F625 A680 L683 L688 V691 H705 R706 A707 R712	E530-R709 IonicContact OE1-NH2 3.53Å; F625-R709 HydrophobicContact CE2-CG 4.14Å; F625-R709 HydrophobicContact CZ-CG 4Å; A680-R709 PolarHBondContact O-NE 3.25Å; A680-R709 PolarHBondContact O-NH2 3.49Å; L683-R709 PolarHBondContact O-NH1 3.19Å; L688-R709 HydrophobicContact CD2-CB 3.5Å; L688-R709 VanDerWaalsContact CD2-CB 3.5Å; V691-R709 HydrophobicContact CG2-CB 4.04Å; H705-R709 PolarHBondContact O-N 2.73Å; H705-R709 PolarHBondContact O-NE 2.82Å; R706-R709 WeakPolarHBondContact O-CB 3.4Å; R706-R709 WeakPolarHBondContact O-CG 3.14Å; R706-R709 PolarHBondContact O-N 2.93Å; A707-R709 PolarHBondContact O-N 3.37Å; R709-R712 VanDerWaalsContact O-CD 3.3Å; R709-R712 WeakPolarHBondContact O-CD 3.09Å; R709-R712 PolarHBondContact O-NE 2.9Å
710	T	89.3	Confident	86.3	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.012	17%	0.167	C	C	.	.	S	Bend	trans	-96	-173.3	173.1	-169.6	0	0	0	0	111.1	V593 L688 I689 V691 A707 G717	V593-T710 HydrophobicContact CG1-CG2 4.11Å; V593-T710 HydrophobicContact CG2-CG2 4.18Å; L688-T710 WeakPolarHBondContact O-CB 3.38Å; L688-T710 PolarHBondContact O-OG1 2.75Å; I689-T710 PolarHBondContact O-OG1 3.21Å; V691-T710 HydrophobicContact CB-CG2 4.48Å; V691-T710 HydrophobicContact CG2-CG2 3.81Å; A707-T710 PolarHBondContact O-N 3.12Å; T710-G717 WeakPolarHBondContact OG1-CA 3.48Å
711	G	83.5	Confident	86.9	Confident	4 Å²	4	28.7 Å²	28.7	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	65.7	39.5	-178.5	0	0	0	0	0	114	N715	G711-N715 CarbonylContact C-O 3.19Å; G711-N715 VanDerWaalsContact CA-O 3.29Å; G711-N715 WeakPolarHBondContact CA-O 3.39Å
712	R	79.2	Confident	87.5	Confident	28 Å²	28	27.4 Å²	27.4	11%	0.106	16%	0.159	C	C	.	.			trans	-105.7	144.1	-169.7	-67.4	-168.3	171.2	-166.7	3.1	113.4	L683 D684 G708 R709 G714 N715	L683-R712 PolarHBondContact O-NH1 3.06Å; L683-R712 VanDerWaalsContact O-NH1 3.1Å; D684-R712 WeakPolarHBondContact OD1-CD 3.44Å; D684-R712 IonicContact OD1-CZ 2.75Å; D684-R712 IonicContact OD1-NE 2.72Å; D684-R712 IonicContact OD1-NH1 2.59Å; D684-R712 PolarHBondContact OD1-NH1 3.47Å; G708-R712 PolarHBondContact O-NE 3.37Å; G708-R712 VanDerWaalsContact O-NE 3.16Å; G708-R712 PolarHBondContact O-NH2 3.1Å; R709-R712 VanDerWaalsContact O-CD 3.3Å; R709-R712 WeakPolarHBondContact O-CD 3.09Å; R709-R712 PolarHBondContact O-NE 2.9Å; R712-G714 PolarHBondContact O-N 2.94Å; R712-G714 VanDerWaalsContact O-N 3.11Å; R712-N715 PolarHBondContact N-O 3.21Å; R712-N715 WeakPolarHBondContact O-CB 3.44Å; R712-N715 PolarHBondContact O-N 3.21Å
713	A	69.3	Low	87.9	Confident	101 Å²	101	26.9 Å²	26.9	84%	0.835	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	28.5	173.4	0	0	0	0	0	115.1
714	G	72.8	Confident	88.1	Confident	61 Å²	61	27 Å²	27	63%	0.629	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	-1.3	-177.3	0	0	0	0	0	115	R712	R712-G714 PolarHBondContact O-N 2.94Å; R712-G714 VanDerWaalsContact O-N 3.11Å
715	N	81.9	Confident	88.2	Confident	88 Å²	88	33.8 Å²	33.8	47%	0.471	19%	0.188	S	C	.	.			trans	-73.9	138.2	164.3	-64.9	-25.5	0	0	0	109.4	K686 G711 R712	K686-N715 PolarHBondContact O-ND2 3.15Å; G711-N715 CarbonylContact C-O 3.19Å; G711-N715 VanDerWaalsContact CA-O 3.29Å; G711-N715 WeakPolarHBondContact CA-O 3.39Å; R712-N715 PolarHBondContact N-O 3.21Å; R712-N715 WeakPolarHBondContact O-CB 3.44Å; R712-N715 PolarHBondContact O-N 3.21Å
716	K	87.6	Confident	88.3	Confident	157 Å²	157	39.9 Å²	39.9	68%	0.683	22%	0.221	S	C	*	.			trans	-69.9	153.6	166.9	-71.3	-165.5	170.3	-159.8	0	111.3	D592	D592-K716 CarbonylContact O-C 3.59Å; D592-K716 WeakPolarHBondContact O-CA 3.45Å
717	G	91.8	Very high	88.2	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.5	174.1	0	0	0	0	0	112.7	D592 V593 E594 I689 T710	D592-G717 PolarHBondContact O-N 3.15Å; V593-G717 WeakPolarHBondContact CA-O 3.19Å; E594-G717 PolarHBondContact N-O 3.48Å; I689-G717 WeakPolarHBondContact O-CA 3.43Å; T710-G717 WeakPolarHBondContact OG1-CA 3.48Å
718	Y	94	Very high	88.2	Confident	65 Å²	65	41.1 Å²	41.1	26%	0.255	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.4	175	-56.2	-90.1	0	0	0	109.6	E594 Y616 I689 L690 V691	E594-Y718 HydrophobicContact CB-CD1 3.9Å; E594-Y718 HydrophobicContact CB-CE1 4.25Å; E594-Y718 HydrophobicContact CG-CD1 4.5Å; E594-Y718 CarbonylContact O-C 3.3Å; E594-Y718 WeakPolarHBondContact O-CA 3.14Å; Y616-Y718 HydrophobicContact CD1-CD2 4.31Å; Y616-Y718 HydrophobicContact CE1-CD1 4.42Å; Y616-Y718 AromaticContact CE1-CD2 3.47Å; Y616-Y718 HydrophobicContact CE1-CD2 3.47Å; Y616-Y718 VanDerWaalsContact CE1-CD2 3.47Å; Y616-Y718 AromaticContact CE1-CE2 3.75Å; Y616-Y718 HydrophobicContact CE1-CE2 3.75Å; Y616-Y718 AromaticContact CE1-CG 3.85Å; Y616-Y718 HydrophobicContact CE1-CG 3.85Å; Y616-Y718 AromaticContact CZ-CG 3.98Å; Y616-Y718 WeakPolarHBondContact OH-CD1 3.16Å; I689-Y718 HydrophobicContact CG2-CD2 3.86Å; I689-Y718 HydrophobicContact CG2-CE2 4.12Å; I689-Y718 PolarHBondContact O-N 3.1Å; L690-Y718 WeakPolarHBondContact CA-O 3.35Å; V691-Y718 PolarHBondContact N-O 2.72Å
719	A	95.6	Very high	88.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	98	177.9	0	0	0	0	0	109.9	V593 E594 Q595 Q596 V691 A707	V593-A719 HydrophobicContact CG1-CB 3.49Å; V593-A719 VanDerWaalsContact CG1-CB 3.49Å; E594-A719 PolarHBondContact O-N 2.88Å; Q595-A719 WeakPolarHBondContact CA-O 3.49Å; Q595-A719 HydrophobicContact CG-CB 4.28Å; Q596-A719 PolarHBondContact N-O 2.86Å; V691-A719 CarbonylContact O-C 3.34Å; V691-A719 WeakPolarHBondContact O-CA 3.34Å; A707-A719 HydrophobicContact CB-CB 3.86Å
720	Y	96.2	Very high	88.4	Confident	36 Å²	36	52.2 Å²	52.2	14%	0.141	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.1	174.2	-78	-101.3	0	0	0	109.9	Q596 I598 L612 Y616 L690 V691 V692 N693	Q596-Y720 HydrophobicContact CB-CD1 3.71Å; Q596-Y720 HydrophobicContact CB-CD2 4.47Å; Q596-Y720 HydrophobicContact CB-CE1 3.67Å; Q596-Y720 HydrophobicContact CB-CE2 4.46Å; Q596-Y720 HydrophobicContact CB-CG 4.14Å; Q596-Y720 HydrophobicContact CG-CD1 4.47Å; Q596-Y720 HydrophobicContact CG-CE1 3.99Å; Q596-Y720 HydrophobicContact CG-CE2 4.33Å; Q596-Y720 CarbonylContact O-C 3.51Å; Q596-Y720 VanDerWaalsContact O-CA 3.31Å; Q596-Y720 WeakPolarHBondContact O-CA 3.47Å; I598-Y720 HydrophobicContact CD1-CD1 4.03Å; I598-Y720 HydrophobicContact CD1-CE1 4.37Å; L612-Y720 HydrophobicContact CD1-CD1 3.75Å; L612-Y720 HydrophobicContact CD1-CD2 4.37Å; L612-Y720 HydrophobicContact CD1-CE1 4.42Å; L612-Y720 HydrophobicContact CD1-CG 3.7Å; L612-Y720 HydrophobicContact CD2-CD1 3.74Å; L612-Y720 HydrophobicContact CD2-CD2 4.27Å; L612-Y720 HydrophobicContact CD2-CE1 3.54Å; L612-Y720 HydrophobicContact CD2-CE2 4.07Å; L612-Y720 HydrophobicContact CD2-CG 4.1Å; L612-Y720 HydrophobicContact CG-CD1 4.42Å; Y616-Y720 AromaticContact CE2-CE2 3.97Å; Y616-Y720 HydrophobicContact CE2-CE2 3.97Å; L690-Y720 HydrophobicContact CD1-CD2 3.48Å; L690-Y720 VanDerWaalsContact CD1-CD2 3.48Å; L690-Y720 HydrophobicContact CD1-CE2 4.11Å; L690-Y720 HydrophobicContact CD1-CG 4.39Å; V691-Y720 PolarHBondContact O-N 3.02Å; V692-Y720 CarbonylContact C-O 3.56Å; V692-Y720 WeakPolarHBondContact CA-O 3.41Å; N693-Y720 PolarHBondContact N-O 3.4Å
721	T	96.4	Very high	88.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.4	177.5	-59.4	0	0	0	0	110.4	Q596 V597 I598 N693 Y703 I734	Q596-T721 PolarHBondContact O-N 3.32Å; V597-T721 WeakPolarHBondContact CA-O 3.33Å; I598-T721 PolarHBondContact N-O 3.44Å; N693-T721 HydrophobicContact CB-CG2 3.92Å; N693-T721 PolarHBondContact ND2-OG1 3.02Å; Y703-T721 HydrophobicContact CE2-CG2 4.22Å; Y703-T721 WeakPolarHBondContact CE2-OG1 3.47Å; T721-I734 HydrophobicContact CG2-CD1 4.26Å
722	F	96.4	Very high	88.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.5	170.2	-56.5	-21.2	0	0	0	108.8	I598 I600 K605 K608 L609 L612 V692 N693 Y694	I598-F722 HydrophobicContact CB-CD1 4.42Å; I598-F722 HydrophobicContact CD1-CE1 4.37Å; I600-F722 HydrophobicContact CG2-CB 3.75Å; I600-F722 HydrophobicContact CG2-CD1 4.38Å; I600-F722 HydrophobicContact CG2-CG 4.1Å; K605-F722 HydrophobicContact CB-CD2 3.88Å; K605-F722 HydrophobicContact CB-CE2 4.22Å; K605-F722 HydrophobicContact CD-CB 4.26Å; K605-F722 HydrophobicContact CD-CD2 4.15Å; K605-F722 HydrophobicContact CG-CB 4.22Å; K605-F722 HydrophobicContact CG-CD2 3.83Å; K605-F722 HydrophobicContact CG-CG 4.31Å; K605-F722 WeakPolarHBondContact O-CE2 3.39Å; K608-F722 HydrophobicContact CB-CE1 4.38Å; K608-F722 HydrophobicContact CB-CZ 4.02Å; K608-F722 HydrophobicContact CG-CE1 3.81Å; K608-F722 HydrophobicContact CG-CZ 3.89Å; L609-F722 HydrophobicContact CB-CE2 4.23Å; L609-F722 HydrophobicContact CB-CZ 4.5Å; L612-F722 HydrophobicContact CD1-CE1 4.03Å; L612-F722 HydrophobicContact CD1-CZ 3.95Å; V692-F722 HydrophobicContact CG1-CE1 4.49Å; V692-F722 HydrophobicContact CG1-CE2 4.07Å; V692-F722 HydrophobicContact CG1-CZ 4.02Å; N693-F722 PolarHBondContact O-N 3.41Å; Y694-F722 AromaticContact CD2-CD2 3.96Å; Y694-F722 HydrophobicContact CD2-CD2 3.96Å; Y694-F722 AromaticContact CD2-CE2 3.83Å; Y694-F722 HydrophobicContact CD2-CE2 3.83Å; Y694-F722 HydrophobicContact CE2-CD2 4.47Å; Y694-F722 HydrophobicContact CE2-CE2 4.26Å; Y694-F722 HydrophobicContact CG-CD2 4.35Å
723	I	94.9	Very high	89.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133	174.1	-171.3	173.5	0	0	0	108.6	V597 I598 V599 I600 Q727 A731 I734 L749 L752	V597-I723 HydrophobicContact CG1-CG2 3.98Å; I598-I723 PolarHBondContact O-N 3.07Å; V599-I723 CarbonylContact C-O 3.59Å; V599-I723 WeakPolarHBondContact CA-O 3.15Å; V599-I723 HydrophobicContact CG2-CG2 4.02Å; I600-I723 PolarHBondContact N-O 3.14Å; I723-Q727 HydrophobicContact CD1-CB 4.47Å; I723-Q727 HydrophobicContact CG1-CB 3.73Å; I723-A731 HydrophobicContact CD1-CB 3.88Å; I723-I734 HydrophobicContact CD1-CD1 4.37Å; I723-L749 HydrophobicContact CD1-CD1 4.12Å; I723-L749 HydrophobicContact CG2-CD1 3.97Å; I723-L752 HydrophobicContact CD1-CD2 4.28Å; I723-L752 HydrophobicContact CG1-CD2 4.41Å; I723-L752 HydrophobicContact CG2-CD2 4.49Å
724	T	93.6	Very high	90.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	24%	0.24	C	C	.	.			trans	-97.3	169.7	178.5	49.3	0	0	0	0	111.1	I600 E602 K605 D726 Q727	I600-T724 WeakPolarHBondContact O-CA 3.21Å; I600-T724 WeakPolarHBondContact O-CG2 3.21Å; E602-T724 WeakPolarHBondContact OE2-CG2 3.38Å; K605-T724 VanDerWaalsContact CE-CG2 3.47Å; T724-D726 WeakPolarHBondContact CB-OD1 3.27Å; T724-D726 PolarHBondContact O-N 3.24Å; T724-D726 PolarHBondContact OG1-OD1 3.21Å; T724-Q727 WeakPolarHBondContact O-CB 3.35Å; T724-Q727 PolarHBondContact O-N 2.83Å; T724-Q727 VanDerWaalsContact O-N 3.09Å; T724-Q727 VanDerWaalsContact OG1-CG 3.23Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.34Å; T724-Q727 PolarHBondContact OG1-NE2 3.14Å; T724-Q727 PolarHBondContact OG1-OE1 2.96Å
725	E	90	Very high	91.1	Very high	147 Å²	147	46 Å²	46	69%	0.687	21%	0.213	S	C	*	.	S	Bend	trans	-67.9	-35.1	-177	-60.9	-168.3	153.4	0	0	113	Q727 A728 L752	E725-Q727 PolarHBondContact O-N 3.19Å; E725-A728 VanDerWaalsContact O-CB 3.31Å; E725-A728 WeakPolarHBondContact O-CB 3.17Å; E725-A728 PolarHBondContact O-N 3.19Å; E725-L752 HydrophobicContact CB-CD1 4.35Å; E725-L752 HydrophobicContact CG-CD1 4.4Å
726	D	88.3	Confident	91.4	Very high	128 Å²	128	45 Å²	45	68%	0.684	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.5	171.3	65.4	-66.1	0	0	0	112.7	T724 A728	T724-D726 WeakPolarHBondContact CB-OD1 3.27Å; T724-D726 PolarHBondContact O-N 3.24Å; T724-D726 PolarHBondContact OG1-OD1 3.21Å; D726-A728 VanDerWaalsContact C-N 3.28Å; D726-A728 PolarHBondContact O-N 3.41Å
727	Q	88.4	Confident	91.4	Very high	29 Å²	29	37.5 Å²	37.5	14%	0.136	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	6.3	-179.8	-70.7	171.5	14	0	0	113.3	I723 T724 E725 R729 Y730	I723-Q727 HydrophobicContact CD1-CB 4.47Å; I723-Q727 HydrophobicContact CG1-CB 3.73Å; T724-Q727 WeakPolarHBondContact O-CB 3.35Å; T724-Q727 PolarHBondContact O-N 2.83Å; T724-Q727 VanDerWaalsContact O-N 3.09Å; T724-Q727 VanDerWaalsContact OG1-CG 3.23Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.34Å; T724-Q727 PolarHBondContact OG1-NE2 3.14Å; T724-Q727 PolarHBondContact OG1-OE1 2.96Å; E725-Q727 PolarHBondContact O-N 3.19Å; Q727-R729 PolarHBondContact O-N 3.26Å; Q727-Y730 HydrophobicContact CB-CD2 4Å; Q727-Y730 HydrophobicContact CG-CD2 4.23Å; Q727-Y730 HydrophobicContact CG-CE2 4.32Å; Q727-Y730 PolarHBondContact O-N 2.77Å
728	A	88.6	Confident	91.3	Very high	6 Å²	6	37.5 Å²	37.5	5%	0.05	17%	0.172	C	C	.	.	H	α-helix	trans	-50.3	-29	180	0	0	0	0	0	114.9	E725 D726 Y730 A731 L752 F756	E725-A728 VanDerWaalsContact O-CB 3.31Å; E725-A728 WeakPolarHBondContact O-CB 3.17Å; E725-A728 PolarHBondContact O-N 3.19Å; D726-A728 VanDerWaalsContact C-N 3.28Å; D726-A728 PolarHBondContact O-N 3.41Å; A728-Y730 PolarHBondContact O-N 2.77Å; A728-A731 VanDerWaalsContact O-CB 3.26Å; A728-A731 WeakPolarHBondContact O-CB 3.37Å; A728-A731 PolarHBondContact O-N 3.06Å; A728-A731 VanDerWaalsContact O-N 3.15Å; A728-L752 HydrophobicContact CB-CD1 3.72Å; A728-L752 HydrophobicContact CB-CD2 4.27Å; A728-L752 HydrophobicContact CB-CG 3.71Å; A728-F756 HydrophobicContact CB-CB 3.84Å; A728-F756 HydrophobicContact CB-CD2 3.91Å; A728-F756 HydrophobicContact CB-CG 4.08Å
729	R	88.8	Confident	91.1	Very high	176 Å²	176	40.4 Å²	40.4	66%	0.664	19%	0.187	S	C	*	.	H	α-helix	trans	-55	-36	173.7	-177.4	-179.8	176.5	-172	-1.3	112.8	Q727 F756	Q727-R729 PolarHBondContact O-N 3.26Å; R729-F756 HydrophobicContact CB-CE1 4.44Å; R729-F756 HydrophobicContact CB-CE2 4.02Å; R729-F756 HydrophobicContact CB-CZ 3.8Å; R729-F756 HydrophobicContact CG-CZ 4.05Å
730	Y	89.1	Confident	90.6	Very high	63 Å²	63	44.7 Å²	44.7	25%	0.247	21%	0.21	C	C	.	.	H	α-helix	trans	-83.4	-19.6	-178.2	-53.6	-56.4	0	0	0	112.9	N698 Q727 A728 G732 D733 I734	N698-Y730 HydrophobicContact CB-CE1 4.21Å; N698-Y730 VanDerWaalsContact O-CE1 3.28Å; N698-Y730 WeakPolarHBondContact O-CE1 3.45Å; Q727-Y730 HydrophobicContact CB-CD2 4Å; Q727-Y730 HydrophobicContact CG-CD2 4.23Å; Q727-Y730 HydrophobicContact CG-CE2 4.32Å; Q727-Y730 PolarHBondContact O-N 2.77Å; A728-Y730 PolarHBondContact O-N 2.77Å; Y730-G732 PolarHBondContact O-N 2.97Å; Y730-D733 PolarHBondContact O-N 3.34Å; Y730-D733 VanDerWaalsContact O-N 3.09Å; Y730-I734 PolarHBondContact O-N 2.86Å
731	A	90.9	Very high	90	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-40	-179.9	0	0	0	0	0	112.1	I723 A728 D733 I734 I735 L749 W753	I723-A731 HydrophobicContact CD1-CB 3.88Å; A728-A731 VanDerWaalsContact O-CB 3.26Å; A728-A731 WeakPolarHBondContact O-CB 3.37Å; A728-A731 PolarHBondContact O-N 3.06Å; A728-A731 VanDerWaalsContact O-N 3.15Å; A731-D733 VanDerWaalsContact C-N 3.31Å; A731-D733 PolarHBondContact O-N 2.93Å; A731-I734 PolarHBondContact O-N 2.78Å; A731-I735 WeakPolarHBondContact O-CB 3.4Å; A731-I735 VanDerWaalsContact O-CG1 3.24Å; A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3Å; A731-L749 HydrophobicContact CB-CD1 3.73Å; A731-L749 HydrophobicContact CB-CG 4.45Å; A731-W753 HydrophobicContact CB-CB 4.04Å
732	G	89.7	Confident	89.5	Confident	13 Å²	13	47.7 Å²	47.7	13%	0.134	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-30.3	179.4	0	0	0	0	0	115.5	Y730 W753	Y730-G732 PolarHBondContact O-N 2.97Å; G732-W753 VanDerWaalsContact CA-CD2 3.44Å
733	D	88.3	Confident	89.1	Confident	36 Å²	36	49.4 Å²	49.4	19%	0.193	26%	0.258	C	S	.	.	H	α-helix	trans	-84	-30.6	175	-92.9	-43.3	0	0	0	111.9	Y700 Y730 A731 K736 A737	Y700-D733 HydrophobicContact CD2-CB 4.11Å; Y700-D733 WeakPolarHBondContact CD2-O 3.47Å; Y700-D733 WeakPolarHBondContact CE2-O 3.26Å; Y730-D733 PolarHBondContact O-N 3.34Å; Y730-D733 VanDerWaalsContact O-N 3.09Å; A731-D733 VanDerWaalsContact C-N 3.31Å; A731-D733 PolarHBondContact O-N 2.93Å; D733-K736 IonicContact OD1-NZ 3.15Å; D733-K736 PolarHBondContact OD1-NZ 2.86Å; D733-A737 PolarHBondContact O-N 2.63Å; D733-A737 VanDerWaalsContact O-N 3.1Å
734	I	90.6	Very high	88.8	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	29%	0.293	C	S	.	.	H	α-helix	trans	-71.8	-42.9	175	-67.1	171.3	0	0	0	111.5	V597 C696 Y703 T721 I723 Y730 A731 K736 A737 L738 L749	V597-I734 HydrophobicContact CG1-CG2 4.25Å; V597-I734 HydrophobicContact CG2-CG2 3.72Å; C696-I734 VanDerWaalsContact SG-CD1 3.51Å; Y703-I734 HydrophobicContact CD2-CD1 4.39Å; Y703-I734 HydrophobicContact CD2-CG1 4.08Å; Y703-I734 HydrophobicContact CE2-CD1 4.46Å; Y703-I734 HydrophobicContact CE2-CG1 4.19Å; Y703-I734 HydrophobicContact CE2-CG2 4.17Å; T721-I734 HydrophobicContact CG2-CD1 4.26Å; I723-I734 HydrophobicContact CD1-CD1 4.37Å; Y730-I734 PolarHBondContact O-N 2.86Å; A731-I734 PolarHBondContact O-N 2.78Å; I734-K736 VanDerWaalsContact C-N 3.27Å; I734-K736 PolarHBondContact O-N 2.92Å; I734-A737 WeakPolarHBondContact O-CA 3.25Å; I734-A737 VanDerWaalsContact O-CB 3.23Å; I734-A737 WeakPolarHBondContact O-CB 3.37Å; I734-A737 PolarHBondContact O-N 3.4Å; I734-L738 PolarHBondContact O-N 3.1Å; I734-L749 HydrophobicContact CG2-CD2 4.1Å
735	I	91.3	Very high	88.7	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-54.6	-47.5	172.5	-69.6	164.7	0	0	0	109.7	A731 A737 L738 E739 V745 L749 W753	A731-I735 WeakPolarHBondContact O-CB 3.4Å; A731-I735 VanDerWaalsContact O-CG1 3.24Å; A731-I735 WeakPolarHBondContact O-CG1 3.41Å; A731-I735 PolarHBondContact O-N 3Å; I735-A737 PolarHBondContact O-N 2.87Å; I735-L738 PolarHBondContact O-N 2.87Å; I735-L738 VanDerWaalsContact O-N 3.12Å; I735-E739 HydrophobicContact CG2-CG 4.23Å; I735-E739 WeakPolarHBondContact O-CG 3.17Å; I735-E739 PolarHBondContact O-N 3.4Å; I735-V745 HydrophobicContact CB-CG1 4.42Å; I735-V745 HydrophobicContact CG1-CG1 3.82Å; I735-V745 HydrophobicContact CG2-CG1 4.14Å; I735-V745 HydrophobicContact CG2-CG2 4.26Å; I735-L749 HydrophobicContact CD1-CG 4.12Å; I735-L749 HydrophobicContact CG1-CD2 3.66Å; I735-L749 HydrophobicContact CG1-CG 3.79Å; I735-W753 HydrophobicContact CD1-CB 3.45Å; I735-W753 VanDerWaalsContact CD1-CB 3.45Å; I735-W753 HydrophobicContact CD1-CG 3.63Å
736	K	88.8	Confident	88.9	Confident	66 Å²	66	49.1 Å²	49.1	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-27.8	174	175.9	173.7	118.6	-74.3	0	113.4	Y700 D733 I734 L740	Y700-K736 HydrophobicContact CE2-CG 4.38Å; Y700-K736 VanDerWaalsContact CE2-NZ 3.26Å; D733-K736 IonicContact OD1-NZ 3.15Å; D733-K736 PolarHBondContact OD1-NZ 2.86Å; I734-K736 VanDerWaalsContact C-N 3.27Å; I734-K736 PolarHBondContact O-N 2.92Å; K736-L740 HydrophobicContact CG-CD1 3.97Å; K736-L740 WeakPolarHBondContact O-CB 3.24Å; K736-L740 VanDerWaalsContact O-CD1 3.32Å; K736-L740 WeakPolarHBondContact O-CD1 3.47Å; K736-L740 WeakPolarHBondContact O-CG 3.19Å; K736-L740 PolarHBondContact O-N 3.19Å
737	A	87.9	Confident	89.1	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-48.8	172.7	0	0	0	0	0	111.1	Y700 Y703 D733 I734 I735 L740 S741	Y700-A737 HydrophobicContact CD2-CB 4.48Å; Y700-A737 HydrophobicContact CE2-CB 3.78Å; Y703-A737 HydrophobicContact CD1-CB 3.84Å; Y703-A737 HydrophobicContact CE1-CB 3.55Å; D733-A737 PolarHBondContact O-N 2.63Å; D733-A737 VanDerWaalsContact O-N 3.1Å; I734-A737 WeakPolarHBondContact O-CA 3.25Å; I734-A737 VanDerWaalsContact O-CB 3.23Å; I734-A737 WeakPolarHBondContact O-CB 3.37Å; I734-A737 PolarHBondContact O-N 3.4Å; I735-A737 PolarHBondContact O-N 2.87Å; A737-L740 PolarHBondContact O-N 3.07Å; A737-S741 PolarHBondContact O-N 2.9Å; A737-S741 PolarHBondContact O-OG 3.34Å
738	L	90.1	Very high	89.3	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-46.7	179.3	-59.7	176.4	0	0	0	111.9	Q595 V597 I734 I735 L740 S741 G742 T743 V745 L749	Q595-L738 HydrophobicContact CB-CD2 3.6Å; V597-L738 HydrophobicContact CG2-CD1 3.99Å; V597-L738 HydrophobicContact CG2-CD2 4.35Å; I734-L738 PolarHBondContact O-N 3.1Å; I735-L738 PolarHBondContact O-N 2.87Å; I735-L738 VanDerWaalsContact O-N 3.12Å; L738-L740 VanDerWaalsContact C-N 3.29Å; L738-L740 PolarHBondContact O-N 3.21Å; L738-S741 PolarHBondContact O-N 3.35Å; L738-S741 PolarHBondContact O-OG 2.89Å; L738-S741 VanDerWaalsContact O-OG 3.1Å; L738-G742 PolarHBondContact O-N 2.97Å; L738-T743 HydrophobicContact CD2-CG2 3.94Å; L738-T743 PolarHBondContact O-N 3.24Å; L738-V745 HydrophobicContact CB-CG2 4.22Å; L738-V745 HydrophobicContact CD1-CG1 4.35Å; L738-L749 HydrophobicContact CD1-CD2 4.07Å
739	E	89.6	Confident	89.5	Confident	125 Å²	125	51 Å²	51	58%	0.584	29%	0.291	S	S	*	.	H	α-helix	trans	-52.7	-46.4	173.6	-74.7	178.3	155.7	0	0	111.5	I735 G742 V745	I735-E739 HydrophobicContact CG2-CG 4.23Å; I735-E739 WeakPolarHBondContact O-CG 3.17Å; I735-E739 PolarHBondContact O-N 3.4Å; E739-G742 PolarHBondContact O-N 3.22Å; E739-V745 HydrophobicContact CG-CG2 4.45Å
740	L	85.3	Confident	89.7	Confident	91 Å²	91	47.7 Å²	47.7	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-75.9	-25.4	-176.4	-73.8	172	0	0	0	113.7	V588 Y700 K736 A737 L738	V588-L740 HydrophobicContact CG1-CB 4.13Å; V588-L740 WeakPolarHBondContact CG1-O 3.19Å; V588-L740 HydrophobicContact CG2-CB 3.89Å; V588-L740 HydrophobicContact CG2-CD1 4.34Å; Y700-L740 WeakPolarHBondContact OH-CD1 3.2Å; K736-L740 HydrophobicContact CG-CD1 3.97Å; K736-L740 WeakPolarHBondContact O-CB 3.24Å; K736-L740 VanDerWaalsContact O-CD1 3.32Å; K736-L740 WeakPolarHBondContact O-CD1 3.47Å; K736-L740 WeakPolarHBondContact O-CG 3.19Å; K736-L740 PolarHBondContact O-N 3.19Å; A737-L740 PolarHBondContact O-N 3.07Å; L738-L740 VanDerWaalsContact C-N 3.29Å; L738-L740 PolarHBondContact O-N 3.21Å
741	S	84.1	Confident	89.9	Confident	28 Å²	28	50.6 Å²	50.6	20%	0.196	30%	0.297	C	S	.	.	H	α-helix	trans	-86	-4.9	170.7	57.7	0	0	0	0	113.8	Q595 A737 L738 T743	Q595-S741 PolarHBondContact NE2-OG 3.49Å; A737-S741 PolarHBondContact O-N 2.9Å; A737-S741 PolarHBondContact O-OG 3.34Å; L738-S741 PolarHBondContact O-N 3.35Å; L738-S741 PolarHBondContact O-OG 2.89Å; L738-S741 VanDerWaalsContact O-OG 3.1Å; S741-T743 VanDerWaalsContact C-N 3.29Å; S741-T743 PolarHBondContact OG-OG1 3.48Å
742	G	84.9	Confident	90	Very high	71 Å²	71	51.4 Å²	51.4	73%	0.732	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	24.2	-174.7	0	0	0	0	0	113.5	L738 E739	L738-G742 PolarHBondContact O-N 2.97Å; E739-G742 PolarHBondContact O-N 3.22Å
743	T	88.1	Confident	90.1	Very high	36 Å²	36	53.2 Å²	53.2	22%	0.221	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-89.2	140.8	177.4	-49.2	0	0	0	0	109.6	Q595 L738 S741	Q595-T743 HydrophobicContact CB-CG2 4.36Å; Q595-T743 PolarHBondContact NE2-OG1 3.37Å; Q595-T743 WeakPolarHBondContact O-CG2 3.4Å; L738-T743 HydrophobicContact CD2-CG2 3.94Å; L738-T743 PolarHBondContact O-N 3.24Å; S741-T743 VanDerWaalsContact C-N 3.29Å; S741-T743 PolarHBondContact OG-OG1 3.48Å
744	A	88.9	Confident	90.3	Very high	88 Å²	88	53.8 Å²	53.8	73%	0.727	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-63.9	136.4	176.3	0	0	0	0	0	110.7
745	V	92.1	Very high	90.3	Very high	29 Å²	29	57.2 Å²	57.2	18%	0.176	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-85.3	130.4	177.8	-169.3	0	0	0	0	109	I735 L738 E739 L749 E750	I735-V745 HydrophobicContact CB-CG1 4.42Å; I735-V745 HydrophobicContact CG1-CG1 3.82Å; I735-V745 HydrophobicContact CG2-CG1 4.14Å; I735-V745 HydrophobicContact CG2-CG2 4.26Å; L738-V745 HydrophobicContact CB-CG2 4.22Å; L738-V745 HydrophobicContact CD1-CG1 4.35Å; E739-V745 HydrophobicContact CG-CG2 4.45Å; V745-L749 HydrophobicContact CG1-CD2 4.24Å; V745-E750 HydrophobicContact CB-CG 4.1Å; V745-E750 HydrophobicContact CG1-CG 3.5Å; V745-E750 VanDerWaalsContact CG1-CG 3.5Å
746	P	93.2	Very high	90.2	Very high	27 Å²	27	58.4 Å²	58.4	18%	0.175	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64.1	133.3	174.7	-23.2	34.2	0	0	0	111.6	V597 D748 L749 E750	V597-P746 HydrophobicContact CB-CG 4.27Å; V597-P746 WeakPolarHBondContact O-CG 3.36Å; P746-D748 PolarHBondContact O-N 2.68Å; P746-L749 HydrophobicContact CB-CB 4.17Å; P746-L749 WeakPolarHBondContact O-CB 3.36Å; P746-L749 PolarHBondContact O-N 3.26Å; P746-E750 PolarHBondContact O-N 3.33Å; P746-E750 VanDerWaalsContact O-N 3.14Å
747	P	92.6	Very high	90.1	Very high	96 Å²	96	58.5 Å²	58.5	62%	0.623	33%	0.334	S	S	*	.	H	α-helix	trans	-56.4	-36.5	-179.9	-27.8	35.8	0	0	0	113.8	L749 E750 K751	P747-L749 VanDerWaalsContact C-N 3.28Å; P747-L749 PolarHBondContact O-N 2.83Å; P747-E750 PolarHBondContact O-N 2.92Å; P747-K751 WeakPolarHBondContact O-CB 3.46Å; P747-K751 PolarHBondContact O-N 2.95Å
748	D	92.8	Very high	90.2	Very high	106 Å²	106	61.9 Å²	61.9	57%	0.567	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-32.2	178.7	-50.2	-54.2	0	0	0	112	V599 P746 L752	V599-D748 HydrophobicContact CB-CB 4.27Å; V599-D748 HydrophobicContact CG2-CB 3.92Å; P746-D748 PolarHBondContact O-N 2.68Å; D748-L752 VanDerWaalsContact O-CB 3.28Å; D748-L752 WeakPolarHBondContact O-CB 3.23Å; D748-L752 PolarHBondContact O-N 3.11Å
749	L	93.3	Very high	90	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.005	38%	0.377	C	S	.	.	H	α-helix	trans	-73.1	-40.2	175.3	-173.1	69.9	0	0	0	111.2	V597 V599 I723 A731 I734 I735 L738 V745 P746 P747 W753	V597-L749 HydrophobicContact CB-CD2 4.14Å; V597-L749 HydrophobicContact CG1-CD1 4.01Å; V597-L749 HydrophobicContact CG1-CD2 3.89Å; V597-L749 HydrophobicContact CG2-CD2 4.47Å; V599-L749 HydrophobicContact CG2-CB 4.43Å; I723-L749 HydrophobicContact CD1-CD1 4.12Å; I723-L749 HydrophobicContact CG2-CD1 3.97Å; A731-L749 HydrophobicContact CB-CD1 3.73Å; A731-L749 HydrophobicContact CB-CG 4.45Å; I734-L749 HydrophobicContact CG2-CD2 4.1Å; I735-L749 HydrophobicContact CD1-CG 4.12Å; I735-L749 HydrophobicContact CG1-CD2 3.66Å; I735-L749 HydrophobicContact CG1-CG 3.79Å; L738-L749 HydrophobicContact CD1-CD2 4.07Å; V745-L749 HydrophobicContact CG1-CD2 4.24Å; P746-L749 HydrophobicContact CB-CB 4.17Å; P746-L749 WeakPolarHBondContact O-CB 3.36Å; P746-L749 PolarHBondContact O-N 3.26Å; P747-L749 VanDerWaalsContact C-N 3.28Å; P747-L749 PolarHBondContact O-N 2.83Å; L749-W753 WeakPolarHBondContact O-CB 3.2Å; L749-W753 PolarHBondContact O-N 2.83Å
750	E	92.8	Very high	89.8	Confident	106 Å²	106	63.3 Å²	63.3	50%	0.495	36%	0.359	S	S	.	.	H	α-helix	trans	-62.1	-43.7	172.6	-63.8	-164.9	153.9	0	0	111.4	V745 P746 P747 W753 S754	V745-E750 HydrophobicContact CB-CG 4.1Å; V745-E750 HydrophobicContact CG1-CG 3.5Å; V745-E750 VanDerWaalsContact CG1-CG 3.5Å; P746-E750 PolarHBondContact O-N 3.33Å; P746-E750 VanDerWaalsContact O-N 3.14Å; P747-E750 PolarHBondContact O-N 2.92Å; E750-W753 PolarHBondContact O-N 2.94Å; E750-S754 PolarHBondContact O-N 2.74Å
751	K	93.2	Very high	89.7	Confident	125 Å²	125	65.9 Å²	65.9	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-59.6	-53.9	175	-171.4	-165.7	173	-85.4	0	110.9	P747 W753 S754 D755	P747-K751 WeakPolarHBondContact O-CB 3.46Å; P747-K751 PolarHBondContact O-N 2.95Å; K751-W753 PolarHBondContact O-N 3.46Å; K751-S754 CarbonylContact O-C 3.57Å; K751-S754 WeakPolarHBondContact O-CA 3.49Å; K751-S754 WeakPolarHBondContact O-CB 3.44Å; K751-S754 PolarHBondContact O-N 2.67Å; K751-D755 IonicContact NZ-OD2 2.65Å; K751-D755 PolarHBondContact NZ-OD2 3.33Å; K751-D755 PolarHBondContact O-N 3.3Å
752	L	92.4	Very high	89.8	Confident	16 Å²	16	68.9 Å²	68.9	8%	0.084	39%	0.392	C	S	.	.	H	α-helix	trans	-53.8	-41.1	178.4	-176.8	64.9	0	0	0	111.9	V599 I723 E725 A728 D748 F756	V599-L752 HydrophobicContact CG1-CD2 4.19Å; V599-L752 HydrophobicContact CG2-CD2 4.2Å; I723-L752 HydrophobicContact CD1-CD2 4.28Å; I723-L752 HydrophobicContact CG1-CD2 4.41Å; I723-L752 HydrophobicContact CG2-CD2 4.49Å; E725-L752 HydrophobicContact CB-CD1 4.35Å; E725-L752 HydrophobicContact CG-CD1 4.4Å; A728-L752 HydrophobicContact CB-CD1 3.72Å; A728-L752 HydrophobicContact CB-CD2 4.27Å; A728-L752 HydrophobicContact CB-CG 3.71Å; D748-L752 VanDerWaalsContact O-CB 3.28Å; D748-L752 WeakPolarHBondContact O-CB 3.23Å; D748-L752 PolarHBondContact O-N 3.11Å; L752-F756 WeakPolarHBondContact O-CB 3.15Å; L752-F756 PolarHBondContact O-N 3.05Å
753	W	92.7	Very high	89.8	Confident	52 Å²	52	69.4 Å²	69.4	20%	0.197	38%	0.376	C	S	.	.	H	α-helix	trans	-73.5	-25.9	175.4	-177.8	-136.5	0	0	0	113.5	A731 G732 I735 L749 E750 K751 F756 K757 I767	A731-W753 HydrophobicContact CB-CB 4.04Å; G732-W753 VanDerWaalsContact CA-CD2 3.44Å; I735-W753 HydrophobicContact CD1-CB 3.45Å; I735-W753 VanDerWaalsContact CD1-CB 3.45Å; I735-W753 HydrophobicContact CD1-CG 3.63Å; L749-W753 WeakPolarHBondContact O-CB 3.2Å; L749-W753 PolarHBondContact O-N 2.83Å; E750-W753 PolarHBondContact O-N 2.94Å; K751-W753 PolarHBondContact O-N 3.46Å; W753-F756 AromaticContact CE3-CD1 3.85Å; W753-F756 HydrophobicContact CE3-CD1 3.85Å; W753-F756 HydrophobicContact CH2-CD1 4.46Å; W753-F756 AromaticContact CZ3-CD1 3.47Å; W753-F756 HydrophobicContact CZ3-CD1 3.47Å; W753-F756 VanDerWaalsContact CZ3-CD1 3.47Å; W753-F756 AromaticContact CZ3-CE1 3.79Å; W753-F756 HydrophobicContact CZ3-CE1 3.79Å; W753-K757 VanDerWaalsContact C-NZ 3.27Å; W753-K757 VanDerWaalsContact NE1-CE 3.27Å; W753-K757 WeakPolarHBondContact O-CG 3.21Å; W753-K757 PolarHBondContact O-N 3.37Å; W753-K757 PolarHBondContact O-NZ 2.84Å; W753-I767 HydrophobicContact CH2-CG2 4.42Å
754	S	91.2	Very high	89.3	Confident	48 Å²	48	70.7 Å²	70.7	34%	0.336	40%	0.397	S	S	.	.	H	α-helix	trans	-74.4	-49.6	172.9	-155.1	0	0	0	0	111.4	E750 K751 F756 K757 D758	E750-S754 PolarHBondContact O-N 2.74Å; K751-S754 CarbonylContact O-C 3.57Å; K751-S754 WeakPolarHBondContact O-CA 3.49Å; K751-S754 WeakPolarHBondContact O-CB 3.44Å; K751-S754 PolarHBondContact O-N 2.67Å; S754-F756 VanDerWaalsContact C-N 3.28Å; S754-F756 PolarHBondContact O-N 2.87Å; S754-K757 WeakPolarHBondContact O-CA 3.17Å; S754-K757 WeakPolarHBondContact O-CB 3.32Å; S754-K757 PolarHBondContact O-N 2.84Å; S754-D758 PolarHBondContact O-N 2.8Å
755	D	91.1	Very high	88.6	Confident	77 Å²	77	71.9 Å²	71.9	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-55.6	-45	179.4	-63.2	-12.6	0	0	0	110.5	K751 K757 D758 Q759	K751-D755 IonicContact NZ-OD2 2.65Å; K751-D755 PolarHBondContact NZ-OD2 3.33Å; K751-D755 PolarHBondContact O-N 3.3Å; D755-K757 PolarHBondContact O-N 2.74Å; D755-D758 PolarHBondContact O-N 3.32Å; D755-Q759 WeakPolarHBondContact O-CB 3.24Å; D755-Q759 PolarHBondContact O-N 2.91Å
756	F	88.3	Confident	87.6	Confident	36 Å²	36	77.8 Å²	77.8	16%	0.158	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-36.3	173.2	-179.4	-92.8	0	0	0	114	A728 R729 L752 W753 S754 Q760 I767	A728-F756 HydrophobicContact CB-CB 3.84Å; A728-F756 HydrophobicContact CB-CD2 3.91Å; A728-F756 HydrophobicContact CB-CG 4.08Å; R729-F756 HydrophobicContact CB-CE1 4.44Å; R729-F756 HydrophobicContact CB-CE2 4.02Å; R729-F756 HydrophobicContact CB-CZ 3.8Å; R729-F756 HydrophobicContact CG-CZ 4.05Å; L752-F756 WeakPolarHBondContact O-CB 3.15Å; L752-F756 PolarHBondContact O-N 3.05Å; W753-F756 AromaticContact CE3-CD1 3.85Å; W753-F756 HydrophobicContact CE3-CD1 3.85Å; W753-F756 HydrophobicContact CH2-CD1 4.46Å; W753-F756 AromaticContact CZ3-CD1 3.47Å; W753-F756 HydrophobicContact CZ3-CD1 3.47Å; W753-F756 VanDerWaalsContact CZ3-CD1 3.47Å; W753-F756 AromaticContact CZ3-CE1 3.79Å; W753-F756 HydrophobicContact CZ3-CE1 3.79Å; S754-F756 VanDerWaalsContact C-N 3.28Å; S754-F756 PolarHBondContact O-N 2.87Å; F756-Q760 HydrophobicContact CD1-CG 4.18Å; F756-Q760 HydrophobicContact CE1-CG 3.8Å; F756-Q760 HydrophobicContact CE2-CG 4.33Å; F756-Q760 HydrophobicContact CZ-CG 3.88Å; F756-Q760 WeakPolarHBondContact O-CB 3.3Å; F756-Q760 WeakPolarHBondContact O-CG 3.34Å; F756-Q760 PolarHBondContact O-N 3.12Å; F756-I767 HydrophobicContact CD1-CD1 4.29Å; F756-I767 HydrophobicContact CE1-CD1 4.17Å
757	K	87.9	Confident	86.2	Confident	68 Å²	68	79.2 Å²	79.2	30%	0.296	42%	0.42	S	S	.	.	H	α-helix	trans	-65.3	-42.4	175.2	-81.6	-174.9	-132.7	70.3	0	111.6	W753 S754 D755 Q760 K761 I767	W753-K757 VanDerWaalsContact C-NZ 3.27Å; W753-K757 VanDerWaalsContact NE1-CE 3.27Å; W753-K757 WeakPolarHBondContact O-CG 3.21Å; W753-K757 PolarHBondContact O-N 3.37Å; W753-K757 PolarHBondContact O-NZ 2.84Å; S754-K757 WeakPolarHBondContact O-CA 3.17Å; S754-K757 WeakPolarHBondContact O-CB 3.32Å; S754-K757 PolarHBondContact O-N 2.84Å; D755-K757 PolarHBondContact O-N 2.74Å; K757-Q760 PolarHBondContact O-N 2.85Å; K757-K761 WeakPolarHBondContact O-CG 3.32Å; K757-K761 PolarHBondContact O-N 2.77Å; K757-I767 HydrophobicContact CB-CD1 4.23Å; K757-I767 HydrophobicContact CG-CD1 3.81Å
758	D	89.3	Confident	84.6	Confident	73 Å²	73	83.7 Å²	83.7	39%	0.39	43%	0.43	S	S	.	.	H	α-helix	trans	-79.1	-31	-175.3	-66.8	-43.8	0	0	0	111.6	S754 D755 K761 A762	S754-D758 PolarHBondContact O-N 2.8Å; D755-D758 PolarHBondContact O-N 3.32Å; D758-K761 PolarHBondContact O-N 2.73Å; D758-K761 WeakPolarHBondContact OD1-CE 3.09Å; D758-K761 IonicContact OD1-NZ 2.9Å; D758-K761 PolarHBondContact OD1-NZ 3.29Å; D758-A762 WeakPolarHBondContact O-CB 3.23Å; D758-A762 PolarHBondContact O-N 3.3Å
759	Q	86.2	Confident	82.6	Confident	111 Å²	111	88 Å²	88	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-59.8	-50	163.7	-176.9	-178.5	-8	0	0	111.8	D755 K761 A762 E763	D755-Q759 WeakPolarHBondContact O-CB 3.24Å; D755-Q759 PolarHBondContact O-N 2.91Å; Q759-K761 VanDerWaalsContact C-N 3.3Å; Q759-K761 PolarHBondContact O-N 3.1Å; Q759-A762 WeakPolarHBondContact O-CB 3.43Å; Q759-A762 PolarHBondContact O-N 2.96Å; Q759-E763 WeakPolarHBondContact CG-OE1 3.12Å; Q759-E763 PolarHBondContact NE2-OE1 3.4Å; Q759-E763 WeakPolarHBondContact O-CG 3.3Å; Q759-E763 PolarHBondContact O-N 2.91Å
760	Q	84.7	Confident	80.4	Confident	44 Å²	44	91.7 Å²	91.7	21%	0.206	47%	0.469	C	S	.	.	H	α-helix	trans	-61	-37	178.4	-72.5	-97	-36.6	0	0	112.4	F756 K757 E763 G764 K765 I767	F756-Q760 HydrophobicContact CD1-CG 4.18Å; F756-Q760 HydrophobicContact CE1-CG 3.8Å; F756-Q760 HydrophobicContact CE2-CG 4.33Å; F756-Q760 HydrophobicContact CZ-CG 3.88Å; F756-Q760 WeakPolarHBondContact O-CB 3.3Å; F756-Q760 WeakPolarHBondContact O-CG 3.34Å; F756-Q760 PolarHBondContact O-N 3.12Å; K757-Q760 PolarHBondContact O-N 2.85Å; Q760-E763 PolarHBondContact O-N 3.1Å; Q760-G764 PolarHBondContact O-N 3.16Å; Q760-K765 PolarHBondContact O-N 3.12Å; Q760-I767 HydrophobicContact CB-CD1 3.69Å; Q760-I767 HydrophobicContact CB-CG1 3.68Å; Q760-I767 HydrophobicContact CG-CD1 3.85Å; Q760-I767 HydrophobicContact CG-CG1 3.87Å
761	K	85	Confident	77.8	Confident	146 Å²	146	90.9 Å²	90.9	64%	0.635	48%	0.475	S	S	*	.	H	α-helix	trans	-62	-44.9	170.3	-75.8	-179.8	-164.8	153.9	0	112.3	K757 D758 Q759 E763 G764	K757-K761 WeakPolarHBondContact O-CG 3.32Å; K757-K761 PolarHBondContact O-N 2.77Å; D758-K761 PolarHBondContact O-N 2.73Å; D758-K761 WeakPolarHBondContact OD1-CE 3.09Å; D758-K761 IonicContact OD1-NZ 2.9Å; D758-K761 PolarHBondContact OD1-NZ 3.29Å; Q759-K761 VanDerWaalsContact C-N 3.3Å; Q759-K761 PolarHBondContact O-N 3.1Å; K761-E763 VanDerWaalsContact C-N 3.26Å; K761-E763 PolarHBondContact O-N 3.34Å; K761-G764 WeakPolarHBondContact O-CA 3.37Å; K761-G764 PolarHBondContact O-N 3.38Å
762	A	85.9	Confident	75.7	Confident	90 Å²	90	86.1 Å²	86.1	74%	0.744	46%	0.461	S	S	*	.	H	α-helix	trans	-62.8	-35.4	179.1	0	0	0	0	0	111.7	D758 Q759 G764	D758-A762 WeakPolarHBondContact O-CB 3.23Å; D758-A762 PolarHBondContact O-N 3.3Å; Q759-A762 WeakPolarHBondContact O-CB 3.43Å; Q759-A762 PolarHBondContact O-N 2.96Å; A762-G764 PolarHBondContact O-N 3.08Å
763	E	84.9	Confident	73.5	Confident	82 Å²	82	88.6 Å²	88.6	38%	0.383	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	3.2	170.9	-65.8	176.7	-158.9	0	0	113.9	Q759 Q760 K761 K765	Q759-E763 WeakPolarHBondContact CG-OE1 3.12Å; Q759-E763 PolarHBondContact NE2-OE1 3.4Å; Q759-E763 WeakPolarHBondContact O-CG 3.3Å; Q759-E763 PolarHBondContact O-N 2.91Å; Q760-E763 PolarHBondContact O-N 3.1Å; K761-E763 VanDerWaalsContact C-N 3.26Å; K761-E763 PolarHBondContact O-N 3.34Å; E763-K765 HydrophobicContact CB-CD 3.99Å; E763-K765 HydrophobicContact CB-CG 4.22Å; E763-K765 PolarHBondContact O-N 3.2Å; E763-K765 WeakPolarHBondContact OE2-CD 3.42Å; E763-K765 WeakPolarHBondContact OE2-CE 3.34Å; E763-K765 IonicContact OE2-NZ 3.92Å; E763-K765 PolarHBondContact OE2-NZ 2.9Å
764	G	76.1	Confident	71.1	Confident	64 Å²	64	91.8 Å²	91.8	66%	0.66	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	6.7	-178	0	0	0	0	0	115	Q760 K761 A762 I766	Q760-G764 PolarHBondContact O-N 3.16Å; K761-G764 WeakPolarHBondContact O-CA 3.37Å; K761-G764 PolarHBondContact O-N 3.38Å; A762-G764 PolarHBondContact O-N 3.08Å; G764-I766 PolarHBondContact O-N 2.86Å
765	K	75.9	Confident	68.5	Low	113 Å²	113	91.8 Å²	91.8	49%	0.491	51%	0.509	S	S	.	.			trans	-86.9	113.7	-173.2	-68.4	168.5	-170.3	167.6	0	110.5	Q760 E763 I767	Q760-K765 PolarHBondContact O-N 3.12Å; E763-K765 HydrophobicContact CB-CD 3.99Å; E763-K765 HydrophobicContact CB-CG 4.22Å; E763-K765 PolarHBondContact O-N 3.2Å; E763-K765 WeakPolarHBondContact OE2-CD 3.42Å; E763-K765 WeakPolarHBondContact OE2-CE 3.34Å; E763-K765 IonicContact OE2-NZ 3.92Å; E763-K765 PolarHBondContact OE2-NZ 2.9Å; K765-I767 PolarHBondContact O-N 3.32Å; K765-I767 VanDerWaalsContact O-N 3.1Å
766	I	69.6	Low	65.9	Low	153 Å²	153	96.7 Å²	96.7	79%	0.785	53%	0.527	S	S	*	.			trans	-68.9	109.4	169.9	-58.3	176.4	0	0	0	108.4	G764 K768	G764-I766 PolarHBondContact O-N 2.86Å; I766-K768 VanDerWaalsContact C-N 3.31Å; I766-K768 PolarHBondContact O-N 3.14Å
767	I	63.3	Low	63.6	Low	57 Å²	57	96.8 Å²	96.8	29%	0.292	54%	0.538	S	S	.	.			trans	-62.4	95.1	167.4	-60.4	169.5	0	0	0	108.3	W753 F756 K757 Q760 K765 K769	W753-I767 HydrophobicContact CH2-CG2 4.42Å; F756-I767 HydrophobicContact CD1-CD1 4.29Å; F756-I767 HydrophobicContact CE1-CD1 4.17Å; K757-I767 HydrophobicContact CB-CD1 4.23Å; K757-I767 HydrophobicContact CG-CD1 3.81Å; Q760-I767 HydrophobicContact CB-CD1 3.69Å; Q760-I767 HydrophobicContact CB-CG1 3.68Å; Q760-I767 HydrophobicContact CG-CD1 3.85Å; Q760-I767 HydrophobicContact CG-CG1 3.87Å; K765-I767 PolarHBondContact O-N 3.32Å; K765-I767 VanDerWaalsContact O-N 3.1Å; I767-K769 PolarHBondContact O-N 2.88Å; I767-K769 VanDerWaalsContact O-N 3.11Å
768	K	59.2	Low	61.3	Low	190 Å²	190	100.7 Å²	100.7	83%	0.826	56%	0.555	S	S	*	*			trans	-60	113.4	159.6	-69.3	178.4	-179.2	173.7	0	106.4	I766 S770	I766-K768 VanDerWaalsContact C-N 3.31Å; I766-K768 PolarHBondContact O-N 3.14Å; K768-S770 PolarHBondContact O-N 2.85Å
769	K	52.6	Low	58.9	Low	195 Å²	195	105.1 Å²	105.1	85%	0.848	57%	0.571	S	S	*	*			trans	-48.9	128.8	170.2	-71.1	-169.3	176.1	-169.2	0	107.9	I767 S771	I767-K769 PolarHBondContact O-N 2.88Å; I767-K769 VanDerWaalsContact O-N 3.11Å; K769-S771 VanDerWaalsContact C-N 3.3Å; K769-S771 PolarHBondContact O-N 3.2Å
770	S	45.1	Very low	56.4	Low	79 Å²	79	102.6 Å²	102.6	55%	0.552	56%	0.559	S	S	*	*			trans	-62.7	89.8	-178.5	-169.7	0	0	0	0	110	K768 G772	K768-S770 PolarHBondContact O-N 2.85Å; S770-G772 PolarHBondContact O-N 3.23Å
771	S	39.7	Very low	54.6	Low	90 Å²	90	104.6 Å²	104.6	63%	0.629	57%	0.57	S	S	*	*			trans	-71.3	90.1	157.9	58.6	0	0	0	0	105	K769	K769-S771 VanDerWaalsContact C-N 3.3Å; K769-S771 PolarHBondContact O-N 3.2Å
772	G	47.8	Very low	52.8	Low	24 Å²	24	105.9 Å²	105.9	25%	0.247	58%	0.579	C	S	.	*	S	Bend	trans	-55.1	167.2	-162.6	0	0	0	0	0	114.5	S770	S770-G772 PolarHBondContact O-N 3.23Å
773	F	46.3	Very low	51.3	Low	69 Å²	69	106.3 Å²	106.3	30%	0.303	57%	0.572	S	S	.	*			trans	77.4	64.2	-175.6	-142.5	-84.7	0	0	0	114.1	F535 D536 P564 A566	F535-F773 HydrophobicContact CB-CE1 4.09Å; F535-F773 HydrophobicContact CB-CE2 4.3Å; F535-F773 HydrophobicContact CB-CZ 3.5Å; D536-F773 HydrophobicContact CB-CE2 3.78Å; D536-F773 HydrophobicContact CB-CZ 4.11Å; P564-F773 HydrophobicContact CB-CB 4.17Å; P564-F773 HydrophobicContact CG-CD2 4.28Å; A566-F773 HydrophobicContact CB-CB 3.93Å; A566-F773 HydrophobicContact CB-CD1 3.3Å; A566-F773 HydrophobicContact CB-CE1 3.99Å; A566-F773 HydrophobicContact CB-CG 3.77Å
774	S	42.3	Very low	49.7	Very low	119 Å²	119	103.5 Å²	103.5	83%	0.832	56%	0.559	S	S	*	*			trans	-133.7	27.9	171.3	-175.3	0	0	0	0	112
775	G	37.8	Very low	48.9	Very low	47 Å²	47	104.6 Å²	104.6	49%	0.485	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-82.3	141.5	162.6	0	0	0	0	0	109.8
776	K	36.2	Very low	48.2	Very low	180 Å²	180	101.9 Å²	101.9	78%	0.783	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-65.9	148.4	139.2	-67.2	-169.7	174.1	-166.6	0	106.4
777	G	40.1	Very low	47.9	Very low	38 Å²	38	99.4 Å²	99.4	39%	0.392	53%	0.534	S	S	.	.	S	Bend	trans	-56.6	167.8	-177.3	0	0	0	0	0	112.7	K779	G777-K779 PolarHBondContact O-N 3.45Å
778	F	38.7	Very low	47.7	Very low	151 Å²	151	98.2 Å²	98.2	66%	0.662	53%	0.532	S	S	*	.			trans	-36.9	99.5	-174.6	-174.3	-89.7	0	0	0	112.8	F780	F778-F780 HydrophobicContact CD1-CE2 4.43Å; F778-F780 HydrophobicContact CD1-CZ 4.49Å; F778-F780 AromaticContact CE1-CD1 3.93Å; F778-F780 HydrophobicContact CE1-CD1 3.93Å; F778-F780 HydrophobicContact CE1-CD2 4.46Å; F778-F780 AromaticContact CE1-CE1 3.87Å; F778-F780 HydrophobicContact CE1-CE1 3.87Å; F778-F780 HydrophobicContact CE1-CE2 4.4Å; F778-F780 HydrophobicContact CE1-CG 4.23Å; F778-F780 HydrophobicContact CE1-CZ 4.11Å
779	K	38.7	Very low	47.6	Very low	165 Å²	165	93.7 Å²	93.7	72%	0.717	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-84	124.5	167.3	-79.7	-168.5	157.8	-132.4	0	107.5	G777	G777-K779 PolarHBondContact O-N 3.45Å
780	F	33.9	Very low	48	Very low	59 Å²	59	90 Å²	90	26%	0.259	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-55.4	142.1	154.7	-62.5	-86.4	0	0	0	108.3	Q289 F778 E784 Q785	Q289-F780 VanDerWaalsContact OE1-CE2 3.24Å; F778-F780 HydrophobicContact CD1-CE2 4.43Å; F778-F780 HydrophobicContact CD1-CZ 4.49Å; F778-F780 AromaticContact CE1-CD1 3.93Å; F778-F780 HydrophobicContact CE1-CD1 3.93Å; F778-F780 HydrophobicContact CE1-CD2 4.46Å; F778-F780 AromaticContact CE1-CE1 3.87Å; F778-F780 HydrophobicContact CE1-CE1 3.87Å; F778-F780 HydrophobicContact CE1-CE2 4.4Å; F778-F780 HydrophobicContact CE1-CG 4.23Å; F778-F780 HydrophobicContact CE1-CZ 4.11Å; F780-E784 HydrophobicContact CB-CB 4.41Å; F780-E784 HydrophobicContact CD1-CG 4.05Å; F780-Q785 HydrophobicContact CB-CB 4.18Å
781	D	47.9	Very low	48.8	Very low	85 Å²	85	95.3 Å²	95.3	46%	0.455	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-60.7	151.1	168.9	-69.1	-51.2	0	0	0	109.3	K628 T783 E784 Q785	K628-D781 IonicContact NZ-OD2 3.46Å; K628-D781 PolarHBondContact NZ-OD2 3.05Å; D781-T783 PolarHBondContact O-N 3.15Å; D781-T783 VanDerWaalsContact O-N 3.12Å; D781-E784 HydrophobicContact CB-CB 4.27Å; D781-E784 WeakPolarHBondContact O-CA 3.47Å; D781-E784 PolarHBondContact O-N 3.06Å; D781-Q785 PolarHBondContact O-N 3.41Å
782	E	46.8	Very low	49.7	Very low	174 Å²	174	94.6 Å²	94.6	81%	0.813	50%	0.496	S	S	*	.	H	α-helix	trans	-57	-31.7	179.2	-68.7	177.9	146.2	0	0	111.8	A786	E782-A786 WeakPolarHBondContact O-CB 3.43Å; E782-A786 PolarHBondContact O-N 2.83Å
783	T	54.7	Low	50.4	Low	99 Å²	99	101.3 Å²	101.3	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-68	-40.5	172.2	50.1	0	0	0	0	113.3	D781 L787	D781-T783 PolarHBondContact O-N 3.15Å; D781-T783 VanDerWaalsContact O-N 3.12Å; T783-L787 WeakPolarHBondContact O-CB 3.35Å; T783-L787 VanDerWaalsContact O-CG 3.32Å; T783-L787 WeakPolarHBondContact O-CG 3.43Å; T783-L787 PolarHBondContact O-N 3.38Å
784	E	51.6	Low	50.9	Low	23 Å²	23	103.6 Å²	103.6	11%	0.107	53%	0.533	C	S	.	.	H	α-helix	trans	-73.6	-36.3	178.8	-168	174.7	164.3	0	0	110.9	K628 F780 D781 A788	K628-E784 IonicContact NZ-OE2 3.58Å; K628-E784 PolarHBondContact NZ-OE2 3.03Å; F780-E784 HydrophobicContact CB-CB 4.41Å; F780-E784 HydrophobicContact CD1-CG 4.05Å; D781-E784 HydrophobicContact CB-CB 4.27Å; D781-E784 WeakPolarHBondContact O-CA 3.47Å; D781-E784 PolarHBondContact O-N 3.06Å; E784-A788 VanDerWaalsContact O-CB 3.25Å; E784-A788 WeakPolarHBondContact O-CB 3.31Å; E784-A788 PolarHBondContact O-N 2.87Å
785	Q	58.1	Low	51.5	Low	87 Å²	87	103.6 Å²	103.6	41%	0.407	52%	0.52	S	S	.	.	H	α-helix	trans	-70	-38.8	173.2	-162.5	166.3	31.3	0	0	111.7	F780 D781 N789	F780-Q785 HydrophobicContact CB-CB 4.18Å; D781-Q785 PolarHBondContact O-N 3.41Å; Q785-N789 WeakPolarHBondContact O-CB 3.23Å; Q785-N789 VanDerWaalsContact O-CG 3.24Å; Q785-N789 PolarHBondContact O-N 3.31Å; Q785-N789 PolarHBondContact O-ND2 2.84Å
786	A	61.4	Low	52.4	Low	56 Å²	56	106 Å²	106	46%	0.463	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-48.9	171.5	0	0	0	0	0	111.9	E782 A788 N789 E790	E782-A786 WeakPolarHBondContact O-CB 3.43Å; E782-A786 PolarHBondContact O-N 2.83Å; A786-A788 PolarHBondContact O-N 2.9Å; A786-N789 PolarHBondContact O-N 3.32Å; A786-E790 WeakPolarHBondContact O-CB 3.26Å; A786-E790 PolarHBondContact O-N 3.1Å
787	L	62.8	Low	53.3	Low	101 Å²	101	100.8 Å²	100.8	53%	0.529	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-38.1	177.2	-78.2	166.5	0	0	0	112.6	T783 R791	T783-L787 WeakPolarHBondContact O-CB 3.35Å; T783-L787 VanDerWaalsContact O-CG 3.32Å; T783-L787 WeakPolarHBondContact O-CG 3.43Å; T783-L787 PolarHBondContact O-N 3.38Å; L787-R791 WeakPolarHBondContact O-CB 3.41Å; L787-R791 PolarHBondContact O-N 3.03Å
788	A	59.3	Low	53.9	Low	31 Å²	31	103.3 Å²	103.3	26%	0.256	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-40.8	174	0	0	0	0	0	111.9	E784 A786 K792	E784-A788 VanDerWaalsContact O-CB 3.25Å; E784-A788 WeakPolarHBondContact O-CB 3.31Å; E784-A788 PolarHBondContact O-N 2.87Å; A786-A788 PolarHBondContact O-N 2.9Å; A788-K792 WeakPolarHBondContact O-CB 3.49Å; A788-K792 WeakPolarHBondContact O-CG 3.49Å; A788-K792 PolarHBondContact O-N 3.46Å
789	N	57.5	Low	54.8	Low	95 Å²	95	101.8 Å²	101.8	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-70.4	-40.3	176.3	-73.6	-11.9	0	0	0	112.2	Q785 A786 K792 K793	Q785-N789 WeakPolarHBondContact O-CB 3.23Å; Q785-N789 VanDerWaalsContact O-CG 3.24Å; Q785-N789 PolarHBondContact O-N 3.31Å; Q785-N789 PolarHBondContact O-ND2 2.84Å; A786-N789 PolarHBondContact O-N 3.32Å; N789-K792 PolarHBondContact O-N 3.48Å; N789-K793 WeakPolarHBondContact O-CB 3.49Å; N789-K793 PolarHBondContact O-N 3.46Å
790	E	60.9	Low	54.9	Low	117 Å²	117	96.8 Å²	96.8	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-43.4	175.3	-175	173.3	-136.9	0	0	111.2	A786 K792 K793 L794	A786-E790 WeakPolarHBondContact O-CB 3.26Å; A786-E790 PolarHBondContact O-N 3.1Å; E790-K792 PolarHBondContact O-N 3.07Å; E790-K793 PolarHBondContact O-N 3.47Å; E790-K793 VanDerWaalsContact O-N 3.16Å; E790-L794 HydrophobicContact CG-CD1 4.19Å; E790-L794 WeakPolarHBondContact O-CB 3.37Å; E790-L794 WeakPolarHBondContact O-CG 3.16Å; E790-L794 PolarHBondContact O-N 2.8Å
791	R	62.4	Low	55.6	Low	191 Å²	191	99.3 Å²	99.3	72%	0.721	53%	0.534	S	S	*	.	H	α-helix	trans	-62.6	-41	174.1	-172.4	172.5	178.5	177.7	-2.2	112	L787 Q795	L787-R791 WeakPolarHBondContact O-CB 3.41Å; L787-R791 PolarHBondContact O-N 3.03Å; R791-Q795 VanDerWaalsContact O-CB 3.3Å; R791-Q795 WeakPolarHBondContact O-CB 3.18Å; R791-Q795 PolarHBondContact O-N 2.95Å
792	K	59.3	Low	55.4	Low	75 Å²	75	104.3 Å²	104.3	33%	0.326	56%	0.555	S	S	.	*	H	α-helix	trans	-63.3	-40.8	171	-79.1	179.6	175.9	-172.2	0	112.3	M292 A788 N789 E790 Q795 K796	M292-K792 HydrophobicContact SD-CD 3.79Å; M292-K792 VanDerWaalsContact SD-CE 3.54Å; M292-K792 PolarHBondContact SD-NZ 3.45Å; A788-K792 WeakPolarHBondContact O-CB 3.49Å; A788-K792 WeakPolarHBondContact O-CG 3.49Å; A788-K792 PolarHBondContact O-N 3.46Å; N789-K792 PolarHBondContact O-N 3.48Å; E790-K792 PolarHBondContact O-N 3.07Å; K792-Q795 PolarHBondContact O-N 3.35Å; K792-K796 WeakPolarHBondContact O-CB 3.21Å; K792-K796 PolarHBondContact O-N 3.48Å
793	K	61.8	Low	54.9	Low	165 Å²	165	101.7 Å²	101.7	72%	0.717	55%	0.547	S	S	*	.	H	α-helix	trans	-65.7	-43.8	178.4	-169.2	167.9	-175.1	167.4	0	111.6	N789 E790 A797	N789-K793 WeakPolarHBondContact O-CB 3.49Å; N789-K793 PolarHBondContact O-N 3.46Å; E790-K793 PolarHBondContact O-N 3.47Å; E790-K793 VanDerWaalsContact O-N 3.16Å; K793-A797 VanDerWaalsContact O-CB 3.28Å; K793-A797 WeakPolarHBondContact O-CB 3.47Å; K793-A797 PolarHBondContact O-N 2.87Å
794	L	57.7	Low	54.3	Low	117 Å²	117	101.7 Å²	101.7	61%	0.613	55%	0.551	S	S	*	*	H	α-helix	trans	-61.6	-41.9	171.8	-76.3	164.7	0	0	0	111.9	E790 A797 A798	E790-L794 HydrophobicContact CG-CD1 4.19Å; E790-L794 WeakPolarHBondContact O-CB 3.37Å; E790-L794 WeakPolarHBondContact O-CG 3.16Å; E790-L794 PolarHBondContact O-N 2.8Å; L794-A797 PolarHBondContact O-N 2.85Å; L794-A798 VanDerWaalsContact O-CB 3.26Å; L794-A798 WeakPolarHBondContact O-CB 3.46Å; L794-A798 PolarHBondContact O-N 3.28Å
795	Q	53.8	Low	53.7	Low	119 Å²	119	106.1 Å²	106.1	56%	0.556	58%	0.575	S	S	*	*	H	α-helix	trans	-68.8	-42.7	178.2	-170.8	171.5	-3.3	0	0	112.5	R791 K792 A797 A798 L799	R791-Q795 VanDerWaalsContact O-CB 3.3Å; R791-Q795 WeakPolarHBondContact O-CB 3.18Å; R791-Q795 PolarHBondContact O-N 2.95Å; K792-Q795 PolarHBondContact O-N 3.35Å; Q795-A797 VanDerWaalsContact C-N 3.35Å; Q795-A798 PolarHBondContact O-N 3.34Å; Q795-L799 HydrophobicContact CG-CD1 4.26Å; Q795-L799 WeakPolarHBondContact O-CG 3.31Å; Q795-L799 PolarHBondContact O-N 3.23Å; Q795-L799 VanDerWaalsContact O-N 3.09Å
796	K	56.6	Low	53.2	Low	97 Å²	97	107 Å²	107	42%	0.422	58%	0.582	S	S	.	*	H	α-helix	trans	-63.1	-40.3	174.4	-169.4	176.9	178.5	-174.8	0	111.1	K792 L799 G800 L801	K792-K796 WeakPolarHBondContact O-CB 3.21Å; K792-K796 PolarHBondContact O-N 3.48Å; K796-L799 PolarHBondContact O-N 3.19Å; K796-G800 PolarHBondContact O-N 2.8Å; K796-L801 WeakPolarHBondContact CE-O 3.39Å; K796-L801 HydrophobicContact CG-CB 4.31Å; K796-L801 WeakPolarHBondContact CG-O 3.18Å; K796-L801 PolarHBondContact O-N 3.03Å
797	A	55.5	Low	52.5	Low	72 Å²	72	112.4 Å²	112.4	60%	0.595	60%	0.598	S	S	*	*	H	α-helix	trans	-67.1	-42.2	175	0	0	0	0	0	113.1	K793 L794 Q795 L799 G800	K793-A797 VanDerWaalsContact O-CB 3.28Å; K793-A797 WeakPolarHBondContact O-CB 3.47Å; K793-A797 PolarHBondContact O-N 2.87Å; L794-A797 PolarHBondContact O-N 2.85Å; Q795-A797 VanDerWaalsContact C-N 3.35Å; A797-L799 PolarHBondContact O-N 3.23Å; A797-G800 PolarHBondContact O-N 2.86Å; A797-G800 VanDerWaalsContact O-N 3.14Å
798	A	53.3	Low	51.7	Low	91 Å²	91	114.6 Å²	114.6	75%	0.752	61%	0.611	S	S	*	*	H	α-helix	trans	-67.3	-23.3	177.4	0	0	0	0	0	113.5	L794 Q795	L794-A798 VanDerWaalsContact O-CB 3.26Å; L794-A798 WeakPolarHBondContact O-CB 3.46Å; L794-A798 PolarHBondContact O-N 3.28Å; Q795-A798 PolarHBondContact O-N 3.34Å
799	L	55.9	Low	51.3	Low	118 Å²	118	114.8 Å²	114.8	62%	0.618	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-5.6	174	-71.5	168.2	0	0	0	113.7	Q795 K796 A797 L801	Q795-L799 HydrophobicContact CG-CD1 4.26Å; Q795-L799 WeakPolarHBondContact O-CG 3.31Å; Q795-L799 PolarHBondContact O-N 3.23Å; Q795-L799 VanDerWaalsContact O-N 3.09Å; K796-L799 PolarHBondContact O-N 3.19Å; A797-L799 PolarHBondContact O-N 3.23Å; L799-L801 VanDerWaalsContact C-N 3.28Å; L799-L801 HydrophobicContact CB-CD1 4.04Å; L799-L801 PolarHBondContact O-N 2.98Å
800	G	42.4	Very low	50.8	Low	60 Å²	60	111.6 Å²	111.6	62%	0.619	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.6	1.3	177.5	0	0	0	0	0	116.2	K796 A797 Q802	K796-G800 PolarHBondContact O-N 2.8Å; A797-G800 PolarHBondContact O-N 2.86Å; A797-G800 VanDerWaalsContact O-N 3.14Å; G800-Q802 VanDerWaalsContact C-N 3.3Å; G800-Q802 PolarHBondContact O-N 3.1Å
801	L	47.5	Very low	50.5	Low	113 Å²	113	110.1 Å²	110.1	59%	0.592	60%	0.598	S	S	*	*			trans	-76.5	76.5	176.2	-79.7	84	0	0	0	111.1	K796 L799 D803	K796-L801 WeakPolarHBondContact CE-O 3.39Å; K796-L801 HydrophobicContact CG-CB 4.31Å; K796-L801 WeakPolarHBondContact CG-O 3.18Å; K796-L801 PolarHBondContact O-N 3.03Å; L799-L801 VanDerWaalsContact C-N 3.28Å; L799-L801 HydrophobicContact CB-CD1 4.04Å; L799-L801 PolarHBondContact O-N 2.98Å; L801-D803 PolarHBondContact O-N 3.43Å
802	Q	43.5	Very low	50.3	Low	189 Å²	189	107 Å²	107	88%	0.883	60%	0.595	S	S	*	*			trans	-98.4	67.2	176.3	-165.5	175	-2.8	0	0	112.1	G800	G800-Q802 VanDerWaalsContact C-N 3.3Å; G800-Q802 PolarHBondContact O-N 3.1Å
803	D	35.9	Very low	50.6	Low	120 Å²	120	103.8 Å²	103.8	64%	0.642	58%	0.582	S	S	*	*			trans	-115.8	116.7	176.4	-105.8	-52.7	0	0	0	113.8	L801 D805	L801-D803 PolarHBondContact O-N 3.43Å; D803-D805 VanDerWaalsContact C-N 3.33Å; D803-D805 PolarHBondContact O-N 3.41Å
804	S	43.8	Very low	50.8	Low	99 Å²	99	99.2 Å²	99.2	69%	0.692	57%	0.565	S	S	*	*			trans	48	-2.6	133.6	50.2	0	0	0	0	124.2	D806	S804-D806 PolarHBondContact O-N 2.81Å
805	D	38.7	Very low	51.2	Low	116 Å²	116	100.5 Å²	100.5	62%	0.62	57%	0.568	S	S	*	*			trans	-76.4	60.9	171.6	-90.8	-22.1	0	0	0	112.5	D803	D803-D805 VanDerWaalsContact C-N 3.33Å; D803-D805 PolarHBondContact O-N 3.41Å
806	D	48	Very low	52	Low	105 Å²	105	99.9 Å²	99.9	56%	0.561	57%	0.565	S	S	*	*			trans	-111.7	24.8	-178.2	-87.6	-39.7	0	0	0	113.8	S804 D808 A809	S804-D806 PolarHBondContact O-N 2.81Å; D806-D808 PolarHBondContact O-N 3.45Å; D806-A809 PolarHBondContact O-N 3.2Å
807	E	46.4	Very low	52.7	Low	169 Å²	169	95.2 Å²	95.2	79%	0.79	55%	0.545	S	S	*	.	H	α-helix	trans	-64.4	-37.2	178.4	-69.7	-158.5	142.7	0	0	113.2	A809 A810	E807-A809 VanDerWaalsContact C-N 3.32Å; E807-A809 PolarHBondContact O-N 3.37Å; E807-A810 WeakPolarHBondContact O-CB 3.46Å; E807-A810 PolarHBondContact O-N 3.44Å; E807-A810 VanDerWaalsContact O-N 3.09Å
808	D	46.3	Very low	53.4	Low	148 Å²	148	99.1 Å²	99.1	79%	0.791	55%	0.55	S	S	*	*	H	α-helix	trans	-62	-38	179.7	-73.2	-32.2	0	0	0	112.1	D806 A810 V811	D806-D808 PolarHBondContact O-N 3.45Å; D808-A810 PolarHBondContact O-N 3.05Å; D808-V811 PolarHBondContact O-N 3.21Å
809	A	49	Very low	54	Low	34 Å²	34	99.4 Å²	99.4	28%	0.281	55%	0.547	S	S	.	.	H	α-helix	trans	-69	-21.3	178	0	0	0	0	0	112.9	D806 E807 V811 I813	D806-A809 PolarHBondContact O-N 3.2Å; E807-A809 VanDerWaalsContact C-N 3.32Å; E807-A809 PolarHBondContact O-N 3.37Å; A809-V811 VanDerWaalsContact C-N 3.32Å; A809-I813 WeakPolarHBondContact O-CD1 3.45Å; A809-I813 WeakPolarHBondContact O-CG1 3.35Å
810	A	48.8	Very low	54.6	Low	28 Å²	28	96.8 Å²	96.8	23%	0.231	53%	0.532	C	S	.	.	H	α-helix	trans	-76.8	-17.9	-179.8	0	0	0	0	0	113.2	E807 D808 K1011	E807-A810 WeakPolarHBondContact O-CB 3.46Å; E807-A810 PolarHBondContact O-N 3.44Å; E807-A810 VanDerWaalsContact O-N 3.09Å; D808-A810 PolarHBondContact O-N 3.05Å; A810-K1011 VanDerWaalsContact O-CE 3.28Å; A810-K1011 WeakPolarHBondContact O-CE 3.44Å; A810-K1011 PolarHBondContact O-NZ 2.98Å
811	V	52.9	Low	56.1	Low	87 Å²	87	94.7 Å²	94.7	53%	0.527	51%	0.506	S	S	.	.	H	α-helix	trans	-82.3	-49.6	-178.3	-175.8	0	0	0	0	111.3	D808 A809 I813 D814 E815	D808-V811 PolarHBondContact O-N 3.21Å; A809-V811 VanDerWaalsContact C-N 3.32Å; V811-I813 PolarHBondContact O-N 3.46Å; V811-D814 PolarHBondContact O-N 3.18Å; V811-E815 PolarHBondContact O-N 3.29Å
812	D	58.6	Low	56.8	Low	124 Å²	124	94 Å²	94	66%	0.663	50%	0.503	S	S	*	.	H	α-helix	trans	-55.1	-37.8	176.4	-81	-7.3	0	0	0	111.8	D814 Q816	D812-D814 PolarHBondContact O-N 3.49Å; D812-Q816 WeakPolarHBondContact O-CB 3.28Å; D812-Q816 PolarHBondContact O-N 3.04Å
813	I	65.2	Low	57.7	Low	9 Å²	9	87 Å²	87	5%	0.046	48%	0.475	C	S	.	.	H	α-helix	trans	-67.6	-33.3	178.8	-65.2	172.1	0	0	0	111.8	A809 V811 Q816 I817 K1011 I1015	A809-I813 WeakPolarHBondContact O-CD1 3.45Å; A809-I813 WeakPolarHBondContact O-CG1 3.35Å; V811-I813 PolarHBondContact O-N 3.46Å; I813-Q816 PolarHBondContact O-N 2.79Å; I813-I817 HydrophobicContact CG2-CD1 3.7Å; I813-I817 HydrophobicContact CG2-CG1 4.31Å; I813-I817 WeakPolarHBondContact O-CB 3.49Å; I813-I817 WeakPolarHBondContact O-CD1 3.48Å; I813-I817 WeakPolarHBondContact O-CG1 3.26Å; I813-I817 PolarHBondContact O-N 3.08Å; I813-K1011 HydrophobicContact CG2-CG 3.97Å; I813-I1015 HydrophobicContact CD1-CG1 3.71Å
814	D	66.3	Low	59	Low	69 Å²	69	85.9 Å²	85.9	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-69.1	-46.7	176.6	-77.3	-22.9	0	0	0	111.4	V811 D812 Q816 I817 E818 K1011	V811-D814 PolarHBondContact O-N 3.18Å; D812-D814 PolarHBondContact O-N 3.49Å; D814-Q816 PolarHBondContact O-N 2.97Å; D814-I817 PolarHBondContact O-N 3.41Å; D814-I817 VanDerWaalsContact O-N 3.16Å; D814-E818 PolarHBondContact O-N 2.85Å; D814-K1011 VanDerWaalsContact OD1-CD 3.22Å; D814-K1011 WeakPolarHBondContact OD1-CD 3.34Å; D814-K1011 WeakPolarHBondContact OD1-CE 3.17Å; D814-K1011 IonicContact OD1-NZ 2.7Å; D814-K1011 PolarHBondContact OD1-NZ 2.85Å; D814-K1011 IonicContact OD2-NZ 2.77Å; D814-K1011 PolarHBondContact OD2-NZ 3.23Å
815	E	67.9	Low	60.2	Low	143 Å²	143	86 Å²	86	67%	0.668	45%	0.453	S	S	*	.	H	α-helix	trans	-62	-34.8	174.6	-65.6	-160.9	172.1	0	0	111.6	V811 S819	V811-E815 PolarHBondContact O-N 3.29Å; E815-S819 VanDerWaalsContact O-CB 3.29Å; E815-S819 WeakPolarHBondContact O-CB 3.25Å; E815-S819 PolarHBondContact O-N 2.91Å; E815-S819 PolarHBondContact O-OG 3.17Å
816	Q	69.1	Low	61.5	Low	106 Å²	106	87.4 Å²	87.4	50%	0.495	45%	0.449	S	S	.	.	H	α-helix	trans	-68	-37.2	174.8	-153.1	-166.8	19.5	0	0	112.8	D812 I813 D814 S819 M820	D812-Q816 WeakPolarHBondContact O-CB 3.28Å; D812-Q816 PolarHBondContact O-N 3.04Å; I813-Q816 PolarHBondContact O-N 2.79Å; D814-Q816 PolarHBondContact O-N 2.97Å; Q816-S819 WeakPolarHBondContact CA-OG 3.45Å; Q816-S819 PolarHBondContact O-OG 3.47Å; Q816-M820 HydrophobicContact CG-CE 4.12Å; Q816-M820 WeakPolarHBondContact O-CE 3.32Å; Q816-M820 WeakPolarHBondContact O-CG 3.37Å; Q816-M820 PolarHBondContact O-N 2.91Å
817	I	71.8	Confident	62.5	Low	0 Å²	0	85.9 Å²	85.9	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-73.6	-43.7	177.4	-67.6	163.5	0	0	0	110.9	I813 D814 M820 F821 F942 T1007 I1010 K1011 L1014	I813-I817 HydrophobicContact CG2-CD1 3.7Å; I813-I817 HydrophobicContact CG2-CG1 4.31Å; I813-I817 WeakPolarHBondContact O-CB 3.49Å; I813-I817 WeakPolarHBondContact O-CD1 3.48Å; I813-I817 WeakPolarHBondContact O-CG1 3.26Å; I813-I817 PolarHBondContact O-N 3.08Å; D814-I817 PolarHBondContact O-N 3.41Å; D814-I817 VanDerWaalsContact O-N 3.16Å; I817-M820 PolarHBondContact O-N 2.98Å; I817-F821 HydrophobicContact CG2-CD2 3.61Å; I817-F821 HydrophobicContact CG2-CE2 3.4Å; I817-F821 HydrophobicContact CG2-CZ 4.46Å; I817-F821 WeakPolarHBondContact O-CD2 3.36Å; I817-F821 PolarHBondContact O-N 3.46Å; I817-F821 VanDerWaalsContact O-N 3.12Å; I817-F942 HydrophobicContact CG1-CE1 4.36Å; I817-F942 HydrophobicContact CG2-CE1 4.26Å; I817-F942 HydrophobicContact CG2-CZ 4.29Å; I817-T1007 HydrophobicContact CG2-CG2 3.91Å; I817-I1010 HydrophobicContact CD1-CG2 4.37Å; I817-I1010 HydrophobicContact CG1-CG2 4.37Å; I817-K1011 HydrophobicContact CD1-CB 3.67Å; I817-K1011 HydrophobicContact CD1-CG 4.03Å; I817-L1014 HydrophobicContact CD1-CD1 3.91Å; I817-L1014 HydrophobicContact CG1-CD1 3.73Å
818	E	69.4	Low	63.2	Low	153 Å²	153	83 Å²	83	72%	0.715	43%	0.429	S	S	*	.	H	α-helix	trans	-63.2	-41.8	177.1	-70.7	-152.8	148.1	0	0	112	D814 M820 F821	D814-E818 PolarHBondContact O-N 2.85Å; E818-M820 VanDerWaalsContact C-N 3.29Å; E818-M820 PolarHBondContact O-N 3.31Å; E818-F821 PolarHBondContact O-N 3.4Å; E818-F821 VanDerWaalsContact O-N 3.16Å
819	S	67.2	Low	63.4	Low	98 Å²	98	80.7 Å²	80.7	69%	0.685	42%	0.416	S	S	*	.	H	α-helix	trans	-68.4	-23.5	177.3	57.3	0	0	0	0	114.1	E815 Q816	E815-S819 VanDerWaalsContact O-CB 3.29Å; E815-S819 WeakPolarHBondContact O-CB 3.25Å; E815-S819 PolarHBondContact O-N 2.91Å; E815-S819 PolarHBondContact O-OG 3.17Å; Q816-S819 WeakPolarHBondContact CA-OG 3.45Å; Q816-S819 PolarHBondContact O-OG 3.47Å
820	M	68.1	Low	63.3	Low	62 Å²	62	84.3 Å²	84.3	31%	0.305	43%	0.429	S	S	.	.	H	α-helix	trans	-82.2	-21.5	170.7	-74.4	-169.2	-72.8	0	0	113.7	Q816 I817 E818 N822 F942	Q816-M820 HydrophobicContact CG-CE 4.12Å; Q816-M820 WeakPolarHBondContact O-CE 3.32Å; Q816-M820 WeakPolarHBondContact O-CG 3.37Å; Q816-M820 PolarHBondContact O-N 2.91Å; I817-M820 PolarHBondContact O-N 2.98Å; E818-M820 VanDerWaalsContact C-N 3.29Å; E818-M820 PolarHBondContact O-N 3.31Å; M820-N822 PolarHBondContact O-N 2.93Å; M820-N822 VanDerWaalsContact O-N 3.12Å; M820-F942 HydrophobicContact CB-CE1 4.11Å; M820-F942 HydrophobicContact CB-CE2 4.37Å; M820-F942 HydrophobicContact CB-CZ 3.79Å; M820-F942 HydrophobicContact CE-CD1 3.82Å; M820-F942 HydrophobicContact CE-CE1 3.53Å; M820-F942 HydrophobicContact CE-CZ 4.38Å; M820-F942 HydrophobicContact SD-CD1 4.36Å; M820-F942 HydrophobicContact SD-CE1 4.26Å
821	F	73.9	Confident	62.8	Low	17 Å²	17	87.5 Å²	87.5	8%	0.075	46%	0.455	C	S	.	.			trans	-82.4	87.1	179.4	-85.7	-52	0	0	0	113.1	I817 E818 S823 L937 I939 F942 I1006 T1007 I1010	I817-F821 HydrophobicContact CG2-CD2 3.61Å; I817-F821 HydrophobicContact CG2-CE2 3.4Å; I817-F821 HydrophobicContact CG2-CZ 4.46Å; I817-F821 WeakPolarHBondContact O-CD2 3.36Å; I817-F821 PolarHBondContact O-N 3.46Å; I817-F821 VanDerWaalsContact O-N 3.12Å; E818-F821 PolarHBondContact O-N 3.4Å; E818-F821 VanDerWaalsContact O-N 3.16Å; F821-S823 PolarHBondContact O-N 3.23Å; F821-L937 HydrophobicContact CD1-CB 4.38Å; F821-L937 HydrophobicContact CD1-CD2 4.37Å; F821-L937 HydrophobicContact CE1-CB 4.22Å; F821-L937 HydrophobicContact CE1-CD1 4.32Å; F821-I939 HydrophobicContact CE1-CG2 4.46Å; F821-F942 HydrophobicContact CD1-CE2 4.09Å; F821-F942 HydrophobicContact CD1-CZ 4.23Å; F821-F942 HydrophobicContact CD2-CZ 4.36Å; F821-F942 AromaticContact CE1-CE2 3.88Å; F821-F942 HydrophobicContact CE1-CE2 3.88Å; F821-F942 HydrophobicContact CE1-CZ 4.11Å; F821-F942 HydrophobicContact CE2-CZ 4.25Å; F821-F942 HydrophobicContact CG-CZ 4.36Å; F821-F942 HydrophobicContact CZ-CE2 4.28Å; F821-F942 HydrophobicContact CZ-CZ 4.13Å; F821-I1006 HydrophobicContact CZ-CG2 4.25Å; F821-T1007 HydrophobicContact CE2-CG2 4.36Å; F821-T1007 WeakPolarHBondContact CE2-OG1 3.25Å; F821-I1010 HydrophobicContact CE1-CD1 4.37Å; F821-I1010 HydrophobicContact CZ-CD1 3.81Å
822	N	62.5	Low	61.8	Low	97 Å²	97	87.9 Å²	87.9	52%	0.519	47%	0.467	S	S	.	.			trans	-73.5	60.9	171.5	-166.4	-8.8	0	0	0	112.6	M820 K824	M820-N822 PolarHBondContact O-N 2.93Å; M820-N822 VanDerWaalsContact O-N 3.12Å; N822-K824 PolarHBondContact O-N 3.19Å
823	S	61.8	Low	60.9	Low	44 Å²	44	88.8 Å²	88.8	31%	0.308	48%	0.48	S	S	.	.			trans	-73.7	123	-170.5	60.5	0	0	0	0	113.2	F821 E935 E936 K1003	F821-S823 PolarHBondContact O-N 3.23Å; S823-E935 VanDerWaalsContact CB-OE1 3.31Å; S823-E935 WeakPolarHBondContact CB-OE1 3.39Å; S823-E936 WeakPolarHBondContact CA-O 3.29Å; S823-K1003 PolarHBondContact OG-NZ 3.16Å
824	K	62.8	Low	59.3	Low	95 Å²	95	91.8 Å²	91.8	41%	0.413	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	94.8	178.8	-72.5	162	-171.1	143.5	0	110.3	N822 E936	N822-K824 PolarHBondContact O-N 3.19Å; K824-E936 HydrophobicContact CB-CB 4.46Å; K824-E936 PolarHBondContact N-O 3.2Å; K824-E936 VanDerWaalsContact N-O 3.11Å; K824-E936 PolarHBondContact O-N 3.16Å
825	K	69.6	Low	57.5	Low	103 Å²	103	95.1 Å²	95.1	45%	0.448	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.3	172.9	-172.8	-179.7	176.2	-167.5	0	110.7	E996	K825-E996 IonicContact NZ-OE1 3.94Å; K825-E996 PolarHBondContact NZ-OE1 3.19Å; K825-E996 IonicContact NZ-OE2 2.68Å; K825-E996 PolarHBondContact NZ-OE2 3.05Å
826	R	66.2	Low	55.6	Low	145 Å²	145	94.1 Å²	94.1	55%	0.547	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.7	173.9	-69.7	178.1	169	-174.2	-6.4	109.1	E934	R826-E934 PolarHBondContact N-O 3.41Å; R826-E934 PolarHBondContact O-N 3.26Å; R826-E934 VanDerWaalsContact O-O 3.04Å
827	V	68.3	Low	53.7	Low	73 Å²	73	94.1 Å²	94.1	44%	0.442	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	133	168.4	-175.1	0	0	0	0	106.5	K931 Y933	V827-K931 HydrophobicContact CG1-CB 4.41Å; V827-K931 HydrophobicContact CG1-CG 4.47Å; V827-Y933 HydrophobicContact CG1-CE1 4.32Å; V827-Y933 HydrophobicContact CG2-CD1 3.87Å; V827-Y933 HydrophobicContact CG2-CE1 3.96Å
828	K	61.7	Low	51.7	Low	108 Å²	108	100.2 Å²	100.2	47%	0.47	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.9	109.7	-176.5	-166.9	-179.4	-177.2	-173.5	0	109.4	R932	K828-R932 PolarHBondContact N-O 2.88Å; K828-R932 PolarHBondContact O-N 3.02Å; K828-R932 VanDerWaalsContact O-N 3.14Å
829	D	50.6	Low	50.2	Low	100 Å²	100	98.5 Å²	98.5	54%	0.535	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.2	131.9	168.4	-50.4	-66.8	0	0	0	108.5	K931	D829-K931 VanDerWaalsContact OD1-CE 3.23Å; D829-K931 WeakPolarHBondContact OD1-CE 3.16Å; D829-K931 WeakPolarHBondContact OD1-CG 3.36Å
830	M	46.3	Very low	49.1	Very low	110 Å²	110	98.3 Å²	98.3	54%	0.542	60%	0.6	S	S	.	*			trans	-118.1	126.1	177.3	-73.6	-171	59.2	0	0	111.1
831	A	38.2	Very low	47.5	Very low	95 Å²	95	101.1 Å²	101.1	79%	0.785	62%	0.623	S	S	*	*			trans	-89.8	153.1	166.6	0	0	0	0	0	110.5
832	A	33.2	Very low	45.7	Very low	95 Å²	95	106.6 Å²	106.6	79%	0.785	66%	0.658	S	S	*	*			trans	-67.1	150.4	178.8	0	0	0	0	0	112.4	G834	A832-G834 PolarHBondContact O-N 2.92Å
833	P	38.3	Very low	44.8	Very low	142 Å²	142	106.7 Å²	106.7	92%	0.922	67%	0.672	S	S	*	*			trans	-73.5	114.1	-175.9	28.7	-34.3	0	0	0	112.6
834	G	32.4	Very low	43.9	Very low	73 Å²	73	107.4 Å²	107.4	75%	0.753	69%	0.687	S	S	*	*			trans	-118.7	158.8	169.4	0	0	0	0	0	111.7	A832	A832-G834 PolarHBondContact O-N 2.92Å
835	T	27.7	Very low	43.1	Very low	139 Å²	139	108.7 Å²	108.7	85%	0.853	70%	0.698	S	S	*	*			trans	-101.2	164.5	-166.2	46.6	0	0	0	0	115.2
836	S	29.5	Very low	41.9	Very low	122 Å²	122	106.9 Å²	106.9	85%	0.853	70%	0.703	S	S	*	*			trans	87.1	148.4	165.3	75.3	0	0	0	0	119.6
837	S	28.8	Very low	41	Very low	105 Å²	105	107.1 Å²	107.1	73%	0.734	71%	0.71	S	S	*	*			trans	-85.1	174.6	-178.5	47.5	0	0	0	0	111.5
838	V	29.5	Very low	39.9	Very low	129 Å²	129	111.4 Å²	111.4	78%	0.782	72%	0.723	S	S	*	*			cis	-152.6	-159.4	20.2	-133.5	0	0	0	0	106.9
839	P	37.6	Very low	39.2	Very low	116 Å²	116	111.3 Å²	111.3	75%	0.753	73%	0.727	S	S	*	*			cis	-113.1	-171.1	-49.8	38.1	-23.3	0	0	0	111.7
840	A	43.7	Very low	39.2	Very low	95 Å²	95	112.5 Å²	112.5	79%	0.785	73%	0.729	S	S	*	*			trans	-79.5	135.4	-178.7	0	0	0	0	0	114.4
841	P	34.8	Very low	39.6	Very low	120 Å²	120	112.4 Å²	112.4	78%	0.779	73%	0.729	S	S	*	*			trans	-91.8	164.8	174.7	36	-34.6	0	0	0	114
842	T	36.8	Very low	40.1	Very low	133 Å²	133	110.5 Å²	110.5	82%	0.816	71%	0.714	S	S	*	*			trans	-102.2	-175.2	-165.5	51.4	0	0	0	0	114.9	G844	T842-G844 PolarHBondContact O-N 3.42Å
843	A	43.2	Very low	41	Very low	98 Å²	98	112.3 Å²	112.3	81%	0.81	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-65.6	13.1	-160.2	0	0	0	0	0	118.7	N845	A843-N845 VanDerWaalsContact C-N 3.33Å; A843-N845 PolarHBondContact O-N 3.1Å
844	G	43.8	Very low	41.5	Very low	60 Å²	60	114.2 Å²	114.2	62%	0.619	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-74.9	-10.2	-175.3	0	0	0	0	0	116.6	T842	T842-G844 PolarHBondContact O-N 3.42Å
845	N	45.4	Very low	42.2	Very low	122 Å²	122	115.4 Å²	115.4	65%	0.652	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-99.8	-2.4	-172.3	-76.8	-26.2	0	0	0	115.2	A843	A843-N845 VanDerWaalsContact C-N 3.33Å; A843-N845 PolarHBondContact O-N 3.1Å
846	A	44.4	Very low	43	Very low	65 Å²	65	111.5 Å²	111.5	54%	0.537	66%	0.663	S	S	.	*	H	α-helix	trans	-69.4	-52.3	-178	0	0	0	0	0	112.7	K848 L849 E850	A846-K848 PolarHBondContact O-N 3.27Å; A846-L849 WeakPolarHBondContact O-CB 3.4Å; A846-L849 PolarHBondContact O-N 3.31Å; A846-L849 VanDerWaalsContact O-N 3.14Å; A846-E850 PolarHBondContact O-N 2.85Å
847	E	47	Very low	43.8	Very low	149 Å²	149	111.5 Å²	111.5	70%	0.696	65%	0.653	S	S	*	*	H	α-helix	trans	-63	-38.6	-173.1	-67.3	-174.1	111.5	0	0	113.3	L849 E850 I851	E847-L849 VanDerWaalsContact C-N 3.31Å; E847-L849 PolarHBondContact O-N 3.29Å; E847-E850 PolarHBondContact O-N 3Å; E847-I851 WeakPolarHBondContact O-CB 3.17Å; E847-I851 VanDerWaalsContact O-CG1 3.28Å; E847-I851 WeakPolarHBondContact O-CG1 3.29Å; E847-I851 PolarHBondContact O-N 3.42Å
848	K	45.2	Very low	44.4	Very low	164 Å²	164	114.5 Å²	114.5	71%	0.713	65%	0.648	S	S	*	*	H	α-helix	trans	-64.3	-36.8	177.5	-70.6	-178.8	179.3	175	0	111.9	A846 A852	A846-K848 PolarHBondContact O-N 3.27Å; K848-A852 WeakPolarHBondContact O-CB 3.17Å; K848-A852 PolarHBondContact O-N 2.98Å
849	L	46.2	Very low	45.1	Very low	106 Å²	106	112.6 Å²	112.6	56%	0.555	63%	0.633	S	S	*	*	H	α-helix	trans	-70.4	-36.5	174.5	-167.6	72.8	0	0	0	111.6	A846 E847 K853	A846-L849 WeakPolarHBondContact O-CB 3.4Å; A846-L849 PolarHBondContact O-N 3.31Å; A846-L849 VanDerWaalsContact O-N 3.14Å; E847-L849 VanDerWaalsContact C-N 3.31Å; E847-L849 PolarHBondContact O-N 3.29Å; L849-K853 WeakPolarHBondContact O-CG 3.45Å; L849-K853 PolarHBondContact O-N 2.91Å
850	E	52	Low	45.3	Very low	124 Å²	124	112 Å²	112	58%	0.579	62%	0.624	S	S	*	*	H	α-helix	trans	-71.9	-41.3	178.5	-170.5	166.6	-166.3	0	0	112.6	A846 E847 A852 K853 R854	A846-E850 PolarHBondContact O-N 2.85Å; E847-E850 PolarHBondContact O-N 3Å; E850-A852 VanDerWaalsContact C-N 3.33Å; E850-A852 PolarHBondContact O-N 2.89Å; E850-K853 PolarHBondContact O-N 3.48Å; E850-R854 WeakPolarHBondContact O-CB 3.36Å; E850-R854 PolarHBondContact O-N 3.12Å
851	I	54	Low	45.2	Very low	108 Å²	108	110.2 Å²	110.2	55%	0.554	61%	0.609	S	S	*	*	H	α-helix	trans	-59.5	-44.3	172	-69	164.9	0	0	0	110.4	E847 R854 L855	E847-I851 WeakPolarHBondContact O-CB 3.17Å; E847-I851 VanDerWaalsContact O-CG1 3.28Å; E847-I851 WeakPolarHBondContact O-CG1 3.29Å; E847-I851 PolarHBondContact O-N 3.42Å; I851-R854 PolarHBondContact O-N 3.36Å; I851-L855 PolarHBondContact O-N 3.37Å
852	A	47.7	Very low	45.7	Very low	56 Å²	56	112 Å²	112	46%	0.463	61%	0.606	S	S	.	*	H	α-helix	trans	-60.9	-45.9	175.5	0	0	0	0	0	112.3	K848 E850 R854 L855 A856	K848-A852 WeakPolarHBondContact O-CB 3.17Å; K848-A852 PolarHBondContact O-N 2.98Å; E850-A852 VanDerWaalsContact C-N 3.33Å; E850-A852 PolarHBondContact O-N 2.89Å; A852-R854 VanDerWaalsContact C-N 3.33Å; A852-R854 PolarHBondContact O-N 2.84Å; A852-L855 PolarHBondContact O-N 3.29Å; A852-A856 PolarHBondContact O-N 3.38Å
853	K	52.3	Low	46.2	Very low	132 Å²	132	113.4 Å²	113.4	57%	0.574	60%	0.601	S	S	*	*	H	α-helix	trans	-59.1	-41.5	173.6	-75.8	173.4	178.5	178.5	0	112.1	L849 E850 A856 L857	L849-K853 WeakPolarHBondContact O-CG 3.45Å; L849-K853 PolarHBondContact O-N 2.91Å; E850-K853 PolarHBondContact O-N 3.48Å; K853-A856 PolarHBondContact O-N 2.79Å; K853-L857 WeakPolarHBondContact O-CB 3.2Å; K853-L857 WeakPolarHBondContact O-CG 3.32Å; K853-L857 PolarHBondContact O-N 3.01Å
854	R	50.3	Low	45.9	Very low	183 Å²	183	115.6 Å²	115.6	69%	0.691	60%	0.599	S	S	*	*	H	α-helix	trans	-68.3	-33.2	-179.7	-152	170.6	-166.2	163.6	3.6	112.4	E850 I851 A852 R858	E850-R854 WeakPolarHBondContact O-CB 3.36Å; E850-R854 PolarHBondContact O-N 3.12Å; I851-R854 PolarHBondContact O-N 3.36Å; A852-R854 VanDerWaalsContact C-N 3.33Å; A852-R854 PolarHBondContact O-N 2.84Å; R854-R858 PolarHBondContact O-N 3.47Å
855	L	45.6	Very low	45.6	Very low	97 Å²	97	119.9 Å²	119.9	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-70.2	-46	171.8	-117.2	164.4	0	0	0	111.8	I851 A852 L857 R858 I859	I851-L855 PolarHBondContact O-N 3.37Å; A852-L855 PolarHBondContact O-N 3.29Å; L855-L857 PolarHBondContact O-N 3.06Å; L855-R858 PolarHBondContact O-N 3.49Å; L855-I859 HydrophobicContact CD2-CD1 4.39Å; L855-I859 WeakPolarHBondContact O-CG1 3.43Å; L855-I859 PolarHBondContact O-N 3.49Å
856	A	44.8	Very low	45	Very low	57 Å²	57	115.9 Å²	115.9	47%	0.471	60%	0.595	S	S	.	*	H	α-helix	trans	-60.9	-42.7	176.2	0	0	0	0	0	112.5	A852 K853 R858 I859 N860	A852-A856 PolarHBondContact O-N 3.38Å; K853-A856 PolarHBondContact O-N 2.79Å; A856-R858 VanDerWaalsContact C-N 3.35Å; A856-R858 PolarHBondContact O-N 2.93Å; A856-I859 PolarHBondContact O-N 3.45Å; A856-N860 PolarHBondContact O-N 3.02Å
857	L	46.4	Very low	44.8	Very low	123 Å²	123	120.3 Å²	120.3	64%	0.644	61%	0.608	S	S	*	*	H	α-helix	trans	-61.6	-39.8	174.3	-78.2	166.9	0	0	0	112.4	K853 L855 I859 N860 A861	K853-L857 WeakPolarHBondContact O-CB 3.2Å; K853-L857 WeakPolarHBondContact O-CG 3.32Å; K853-L857 PolarHBondContact O-N 3.01Å; L855-L857 PolarHBondContact O-N 3.06Å; L857-I859 VanDerWaalsContact C-N 3.35Å; L857-I859 PolarHBondContact O-N 3.14Å; L857-N860 PolarHBondContact O-N 2.95Å; L857-A861 WeakPolarHBondContact O-CB 3.43Å; L857-A861 PolarHBondContact O-N 2.82Å
858	R	40.9	Very low	44.3	Very low	167 Å²	167	122.3 Å²	122.3	63%	0.63	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-38.1	176.1	-175.3	176	-75.4	162.2	-5.9	112.1	R854 L855 A856 Q862	R854-R858 PolarHBondContact O-N 3.47Å; L855-R858 PolarHBondContact O-N 3.49Å; A856-R858 VanDerWaalsContact C-N 3.35Å; A856-R858 PolarHBondContact O-N 2.93Å; R858-Q862 PolarHBondContact O-N 3.43Å
859	I	45.2	Very low	44.2	Very low	90 Å²	90	118.1 Å²	118.1	46%	0.462	61%	0.608	S	S	.	*	H	α-helix	trans	-68.3	-41.4	176.2	-67.3	166.4	0	0	0	111.3	L855 A856 L857 Q862 K863	L855-I859 HydrophobicContact CD2-CD1 4.39Å; L855-I859 WeakPolarHBondContact O-CG1 3.43Å; L855-I859 PolarHBondContact O-N 3.49Å; A856-I859 PolarHBondContact O-N 3.45Å; L857-I859 VanDerWaalsContact C-N 3.35Å; L857-I859 PolarHBondContact O-N 3.14Å; I859-Q862 PolarHBondContact O-N 2.9Å; I859-K863 PolarHBondContact O-N 3.04Å
860	N	40.8	Very low	44	Very low	104 Å²	104	120.1 Å²	120.1	56%	0.556	62%	0.615	S	S	*	*	H	α-helix	trans	-67.1	-39	175.1	-104.1	2.2	0	0	0	112.5	A856 L857 Q862 K863 N864	A856-N860 PolarHBondContact O-N 3.02Å; L857-N860 PolarHBondContact O-N 2.95Å; N860-Q862 PolarHBondContact O-N 3.2Å; N860-K863 PolarHBondContact O-N 3.45Å; N860-N864 PolarHBondContact O-N 2.95Å
861	A	41.8	Very low	43.4	Very low	57 Å²	57	118.9 Å²	118.9	47%	0.471	62%	0.616	S	S	.	*	H	α-helix	trans	-60.2	-32.5	176.2	0	0	0	0	0	112.8	L857	L857-A861 WeakPolarHBondContact O-CB 3.43Å; L857-A861 PolarHBondContact O-N 2.82Å
862	Q	46.3	Very low	42.8	Very low	157 Å²	157	118 Å²	118	73%	0.734	61%	0.612	S	S	*	*	H	α-helix	trans	-78.7	-13.1	174.4	-70.7	-172.5	-73.5	0	0	114.4	R858 I859 N860	R858-Q862 PolarHBondContact O-N 3.43Å; I859-Q862 PolarHBondContact O-N 2.9Å; N860-Q862 PolarHBondContact O-N 3.2Å
863	K	46.6	Very low	42.5	Very low	162 Å²	162	120 Å²	120	70%	0.704	62%	0.619	S	S	*	*	H	α-helix	trans	-92.1	-24	176.4	-75.7	-173.1	173.9	-176.3	0	114.1	I859 N860	I859-K863 PolarHBondContact O-N 3.04Å; N860-K863 PolarHBondContact O-N 3.45Å
864	N	38.1	Very low	42.1	Very low	144 Å²	144	120.5 Å²	120.5	77%	0.77	63%	0.625	S	S	*	*	S	Bend	trans	-98.9	21	-177	-79.6	7.4	0	0	0	114.6	N860	N860-N864 PolarHBondContact O-N 2.95Å
865	L	36.3	Very low	42	Very low	151 Å²	151	117.4 Å²	117.4	79%	0.791	62%	0.618	S	S	*	*			trans	-114.3	100.2	178.5	-82	169.4	0	0	0	112.6
866	G	33.8	Very low	42.1	Very low	38 Å²	38	118.4 Å²	118.4	39%	0.392	62%	0.62	S	S	.	*			trans	112.1	100.5	151.4	0	0	0	0	0	117.5
867	I	39.2	Very low	42.3	Very low	158 Å²	158	118 Å²	118	81%	0.81	62%	0.617	S	S	*	*	S	Bend	trans	-115.1	-36.9	146.3	-71.8	-178.9	0	0	0	110.2
868	E	37.7	Very low	42.3	Very low	190 Å²	190	115.9 Å²	115.9	89%	0.888	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-17.9	-177.5	-62.8	-171.3	118.5	0	0	115.1	Q870	E868-Q870 PolarHBondContact O-N 3.13Å
869	S	42.3	Very low	42.6	Very low	76 Å²	76	113 Å²	113	53%	0.531	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.1	-6.4	-173.8	52.8	0	0	0	0	115.7
870	Q	41.7	Very low	42.8	Very low	148 Å²	148	111 Å²	111	69%	0.692	60%	0.603	S	S	*	*	H	α-helix	trans	-84.1	-16.5	-174.7	-68.4	-168.1	-5.6	0	0	114.9	E868	E868-Q870 PolarHBondContact O-N 3.13Å
871	V	40.2	Very low	43.3	Very low	98 Å²	98	112 Å²	112	59%	0.594	61%	0.607	S	S	*	*	H	α-helix	trans	-76.3	-38.7	-175.8	-177.5	0	0	0	0	112.2
872	D	40.2	Very low	43.8	Very low	90 Å²	90	116.2 Å²	116.2	48%	0.481	62%	0.621	S	S	.	*	H	α-helix	trans	-71.6	-43	-175.4	-166.2	-0.9	0	0	0	112	M874 Q875 Q876	D872-M874 VanDerWaalsContact C-N 3.27Å; D872-M874 PolarHBondContact O-N 3.41Å; D872-Q875 WeakPolarHBondContact O-CA 3.49Å; D872-Q875 PolarHBondContact O-N 2.9Å; D872-Q876 PolarHBondContact O-N 3.14Å; D872-Q876 PolarHBondContact OD1-NE2 3.47Å; D872-Q876 PolarHBondContact OD2-NE2 3.01Å
873	V	42.8	Very low	44	Very low	99 Å²	99	120 Å²	120	60%	0.6	63%	0.628	S	S	*	*	H	α-helix	trans	-57.1	-38.2	-178.8	-177	0	0	0	0	112.3	Q876 A877	V873-Q876 PolarHBondContact O-N 2.77Å; V873-A877 WeakPolarHBondContact O-CB 3.22Å; V873-A877 PolarHBondContact O-N 3Å
874	M	43	Very low	43.9	Very low	142 Å²	142	115.5 Å²	115.5	70%	0.7	63%	0.628	S	S	*	*	H	α-helix	trans	-69.6	-33.5	177.2	-164.2	96.6	77.7	0	0	112.3	D872 T878	D872-M874 VanDerWaalsContact C-N 3.27Å; D872-M874 PolarHBondContact O-N 3.41Å; M874-T878 PolarHBondContact O-N 2.92Å; M874-T878 PolarHBondContact O-OG1 2.97Å
875	Q	48.8	Very low	44.3	Very low	117 Å²	117	111.1 Å²	111.1	55%	0.547	62%	0.617	S	S	.	*	H	α-helix	trans	-76.3	-33.5	176.7	-66.2	-171.3	2.8	0	0	112.1	D872 T878 N879	D872-Q875 WeakPolarHBondContact O-CA 3.49Å; D872-Q875 PolarHBondContact O-N 2.9Å; Q875-T878 WeakPolarHBondContact CA-OG1 3.45Å; Q875-T878 PolarHBondContact O-OG1 3.42Å; Q875-N879 PolarHBondContact O-N 3.46Å; Q875-N879 PolarHBondContact O-ND2 2.88Å
876	Q	47.4	Very low	44.4	Very low	118 Å²	118	110.8 Å²	110.8	55%	0.551	62%	0.621	S	S	*	*	H	α-helix	trans	-70.6	-43	173	-64.9	-177.2	21.3	0	0	111.6	D872 V873 T878 N879 A880	D872-Q876 PolarHBondContact O-N 3.14Å; D872-Q876 PolarHBondContact OD1-NE2 3.47Å; D872-Q876 PolarHBondContact OD2-NE2 3.01Å; V873-Q876 PolarHBondContact O-N 2.77Å; Q876-T878 PolarHBondContact O-N 3.48Å; Q876-N879 PolarHBondContact O-N 2.95Å; Q876-A880 PolarHBondContact O-N 3.34Å
877	A	48.2	Very low	44.7	Very low	49 Å²	49	116.4 Å²	116.4	41%	0.405	64%	0.641	S	S	.	*	H	α-helix	trans	-60.7	-42.3	177.4	0	0	0	0	0	112.9	V873 N879 A880 I881	V873-A877 WeakPolarHBondContact O-CB 3.22Å; V873-A877 PolarHBondContact O-N 3Å; A877-N879 PolarHBondContact O-N 2.92Å; A877-A880 PolarHBondContact O-N 2.94Å; A877-I881 WeakPolarHBondContact O-CG1 3.45Å; A877-I881 PolarHBondContact O-N 3.33Å; A877-I881 VanDerWaalsContact O-N 3.13Å
878	T	46.9	Very low	44.6	Very low	78 Å²	78	117.1 Å²	117.1	48%	0.479	65%	0.646	S	S	.	*	H	α-helix	trans	-67.7	-33.6	177.9	42.2	0	0	0	0	113.1	M874 Q875 Q876 L882	M874-T878 PolarHBondContact O-N 2.92Å; M874-T878 PolarHBondContact O-OG1 2.97Å; Q875-T878 WeakPolarHBondContact CA-OG1 3.45Å; Q875-T878 PolarHBondContact O-OG1 3.42Å; Q876-T878 PolarHBondContact O-N 3.48Å; T878-L882 PolarHBondContact O-N 3.45Å
879	N	48.2	Very low	44.3	Very low	108 Å²	108	112.3 Å²	112.3	58%	0.578	64%	0.638	S	S	*	*	H	α-helix	trans	-70.6	-31.5	172	-82	-70.3	0	0	0	113.3	Q875 Q876 A877	Q875-N879 PolarHBondContact O-N 3.46Å; Q875-N879 PolarHBondContact O-ND2 2.88Å; Q876-N879 PolarHBondContact O-N 2.95Å; A877-N879 PolarHBondContact O-N 2.92Å
880	A	47.8	Very low	43.9	Very low	46 Å²	46	114.8 Å²	114.8	38%	0.38	65%	0.653	S	S	.	*	H	α-helix	trans	-69.4	-41.7	175.8	0	0	0	0	0	112.5	Q876 A877 L882 R883 G884	Q876-A880 PolarHBondContact O-N 3.34Å; A877-A880 PolarHBondContact O-N 2.94Å; A880-L882 VanDerWaalsContact C-N 3.27Å; A880-L882 PolarHBondContact O-N 3.24Å; A880-R883 PolarHBondContact O-N 3.02Å; A880-G884 PolarHBondContact O-N 2.98Å
881	I	51.7	Low	43.6	Very low	126 Å²	126	114.3 Å²	114.3	65%	0.646	66%	0.66	S	S	*	*	H	α-helix	trans	-60.2	-37.5	177.5	-68.6	164	0	0	0	111.2	A877 R883 G884	A877-I881 WeakPolarHBondContact O-CG1 3.45Å; A877-I881 PolarHBondContact O-N 3.33Å; A877-I881 VanDerWaalsContact O-N 3.13Å; I881-R883 PolarHBondContact O-N 3.5Å; I881-R883 VanDerWaalsContact O-N 3.1Å; I881-G884 PolarHBondContact O-N 2.93Å; I881-G884 VanDerWaalsContact O-N 3.11Å
882	L	51.8	Low	43.8	Very low	146 Å²	146	115.3 Å²	115.3	76%	0.764	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-7.6	174.7	-90.6	161.4	0	0	0	114.9	T878 A880	T878-L882 PolarHBondContact O-N 3.45Å; A880-L882 VanDerWaalsContact C-N 3.27Å; A880-L882 PolarHBondContact O-N 3.24Å
883	R	50.7	Low	44.2	Very low	235 Å²	235	114.4 Å²	114.4	89%	0.887	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	8.4	173.7	-68.3	-172.8	175.6	-176.5	0.1	114	A880 I881 G885	A880-R883 PolarHBondContact O-N 3.02Å; I881-R883 PolarHBondContact O-N 3.5Å; I881-R883 VanDerWaalsContact O-N 3.1Å; R883-G885 PolarHBondContact O-N 3.41Å
884	G	46.1	Very low	44.3	Very low	68 Å²	68	113.4 Å²	113.4	70%	0.701	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.2	19.6	169.7	0	0	0	0	0	116.1	A880 I881	A880-G884 PolarHBondContact O-N 2.98Å; I881-G884 PolarHBondContact O-N 2.93Å; I881-G884 VanDerWaalsContact O-N 3.11Å
885	G	45.7	Very low	44.4	Very low	53 Å²	53	113.1 Å²	113.1	55%	0.546	66%	0.664	S	S	.	*			trans	-83.4	140.6	173.9	0	0	0	0	0	112.9	R883	R883-G885 PolarHBondContact O-N 3.41Å
886	T	38.1	Very low	44.6	Very low	143 Å²	143	110.7 Å²	110.7	88%	0.877	66%	0.657	S	S	*	*			trans	-101.2	130.2	179.3	-31	0	0	0	0	111
887	I	39.5	Very low	44.8	Very low	157 Å²	157	109.5 Å²	109.5	81%	0.805	65%	0.653	S	S	*	*			trans	-138.1	141.8	175	-59	-178.1	0	0	0	109.9
888	L	36.9	Very low	44.9	Very low	173 Å²	173	109.9 Å²	109.9	91%	0.906	66%	0.657	S	S	*	*			trans	-79.3	138.2	175.2	-74.1	152	0	0	0	111.3
889	A	32.9	Very low	45.3	Very low	88 Å²	88	110.2 Å²	110.2	73%	0.727	65%	0.653	S	S	*	*			trans	-110	137.1	174.1	0	0	0	0	0	111.2
890	P	34.2	Very low	45.6	Very low	129 Å²	129	110.9 Å²	110.9	84%	0.838	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-77.1	133.6	177.7	30.9	-33.8	0	0	0	111.7
891	T	35.3	Very low	46	Very low	138 Å²	138	113.5 Å²	113.5	85%	0.847	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-88.6	120.7	179.9	52.2	0	0	0	0	112
892	V	43.1	Very low	46.2	Very low	119 Å²	119	109.8 Å²	109.8	72%	0.721	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-83.1	135.5	168.2	-178.2	0	0	0	0	109.5
893	S	49.3	Very low	46.6	Very low	71 Å²	71	109.4 Å²	109.4	50%	0.497	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-71.7	135.5	-177.1	-176.8	0	0	0	0	112.6	K895 T896	S893-K895 PolarHBondContact O-N 3.35Å; S893-T896 PolarHBondContact O-N 3.31Å
894	A	43.7	Very low	47	Very low	78 Å²	78	105.8 Å²	105.8	65%	0.645	63%	0.632	S	S	*	*	H	α-helix	trans	-61.1	-26.8	177.8	0	0	0	0	0	113.5	T896 I897 A898	A894-T896 VanDerWaalsContact C-N 3.35Å; A894-T896 PolarHBondContact O-N 3Å; A894-I897 PolarHBondContact O-N 2.77Å; A894-A898 PolarHBondContact O-N 3.42Å; A894-A898 VanDerWaalsContact O-N 3.11Å
895	K	45.3	Very low	47.4	Very low	136 Å²	136	107 Å²	107	59%	0.591	62%	0.622	S	S	*	*	H	α-helix	trans	-57.9	-46.4	178.7	-171.6	173.9	-172.1	-73.9	0	111.6	S893 I897 A898 E899	S893-K895 PolarHBondContact O-N 3.35Å; K895-I897 VanDerWaalsContact C-N 3.29Å; K895-I897 PolarHBondContact O-N 3.04Å; K895-A898 PolarHBondContact O-N 3.16Å; K895-E899 IonicContact NZ-OE1 2.74Å; K895-E899 PolarHBondContact NZ-OE1 3.3Å; K895-E899 WeakPolarHBondContact O-CG 3.47Å; K895-E899 PolarHBondContact O-N 3.27Å
896	T	54.4	Low	48.1	Very low	66 Å²	66	107.2 Å²	107.2	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-66.7	-29.3	-177.9	-42.8	0	0	0	0	112.7	S893 A894 Q900	S893-T896 PolarHBondContact O-N 3.31Å; A894-T896 VanDerWaalsContact C-N 3.35Å; A894-T896 PolarHBondContact O-N 3Å; T896-Q900 WeakPolarHBondContact O-CG 3.5Å; T896-Q900 PolarHBondContact O-N 2.87Å
897	I	50.6	Low	49.2	Very low	92 Å²	92	104.1 Å²	104.1	47%	0.472	60%	0.599	S	S	.	*	H	α-helix	trans	-76.8	-37.8	176.6	-58.3	176	0	0	0	110.5	A894 K895 L901	A894-I897 PolarHBondContact O-N 2.77Å; K895-I897 VanDerWaalsContact C-N 3.29Å; K895-I897 PolarHBondContact O-N 3.04Å; I897-L901 HydrophobicContact CG2-CD1 4.36Å; I897-L901 PolarHBondContact O-N 2.73Å
898	A	49.8	Very low	50.1	Low	58 Å²	58	105.7 Å²	105.7	48%	0.479	60%	0.6	S	S	.	*	H	α-helix	trans	-65.8	-43.1	175.7	0	0	0	0	0	112.1	A894 K895 L901 A902	A894-A898 PolarHBondContact O-N 3.42Å; A894-A898 VanDerWaalsContact O-N 3.11Å; K895-A898 PolarHBondContact O-N 3.16Å; A898-L901 PolarHBondContact O-N 2.69Å; A898-A902 PolarHBondContact O-N 2.95Å
899	E	55.6	Low	50.5	Low	85 Å²	85	103.4 Å²	103.4	40%	0.397	59%	0.588	S	S	.	*	H	α-helix	trans	-60.5	-47.8	177.5	-72.2	162.2	159.7	0	0	111.6	K895 L901 A902 E903	K895-E899 IonicContact NZ-OE1 2.74Å; K895-E899 PolarHBondContact NZ-OE1 3.3Å; K895-E899 WeakPolarHBondContact O-CG 3.47Å; K895-E899 PolarHBondContact O-N 3.27Å; E899-L901 VanDerWaalsContact C-N 3.27Å; E899-L901 PolarHBondContact O-N 3.37Å; E899-A902 PolarHBondContact O-N 3.26Å; E899-A902 VanDerWaalsContact O-N 3.17Å; E899-E903 PolarHBondContact O-N 3.14Å
900	Q	55.1	Low	51.3	Low	122 Å²	122	106.3 Å²	106.3	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-65.8	-25.9	177	-71.3	-179.9	2.7	0	0	114.1	T896 K904	T896-Q900 WeakPolarHBondContact O-CG 3.5Å; T896-Q900 PolarHBondContact O-N 2.87Å; Q900-K904 WeakPolarHBondContact O-CB 3.06Å; Q900-K904 PolarHBondContact O-N 3.41Å
901	L	56.7	Low	52.2	Low	101 Å²	101	106.1 Å²	106.1	53%	0.529	58%	0.575	S	S	.	*	H	α-helix	trans	-76.2	-40.7	171.9	-87.9	164.3	0	0	0	111.7	I897 A898 E899 K904 I905	I897-L901 HydrophobicContact CG2-CD1 4.36Å; I897-L901 PolarHBondContact O-N 2.73Å; A898-L901 PolarHBondContact O-N 2.69Å; E899-L901 VanDerWaalsContact C-N 3.27Å; E899-L901 PolarHBondContact O-N 3.37Å; L901-K904 PolarHBondContact O-N 3.11Å; L901-I905 VanDerWaalsContact O-CG1 3.3Å; L901-I905 WeakPolarHBondContact O-CG1 3.3Å; L901-I905 PolarHBondContact O-N 3.26Å
902	A	55.8	Low	53.6	Low	47 Å²	47	103.4 Å²	103.4	39%	0.388	56%	0.558	S	S	.	*	H	α-helix	trans	-62.3	-46.5	175.6	0	0	0	0	0	111.7	A898 E899 K904 I905 N906	A898-A902 PolarHBondContact O-N 2.95Å; E899-A902 PolarHBondContact O-N 3.26Å; E899-A902 VanDerWaalsContact O-N 3.17Å; A902-K904 PolarHBondContact O-N 3.47Å; A902-I905 PolarHBondContact O-N 2.98Å; A902-I905 VanDerWaalsContact O-N 3.16Å; A902-N906 VanDerWaalsContact O-CG 3.29Å; A902-N906 PolarHBondContact O-N 3.19Å
903	E	59.2	Low	53.9	Low	139 Å²	139	99.9 Å²	99.9	65%	0.65	54%	0.538	S	S	*	.	H	α-helix	trans	-59.6	-43.3	175.3	-71	-172.9	137.3	0	0	112.2	E899 I905 N906 A907	E899-E903 PolarHBondContact O-N 3.14Å; E903-I905 VanDerWaalsContact C-N 3.32Å; E903-I905 PolarHBondContact O-N 2.91Å; E903-N906 PolarHBondContact O-N 2.86Å; E903-A907 VanDerWaalsContact O-CB 3.29Å; E903-A907 WeakPolarHBondContact O-CB 3.48Å; E903-A907 PolarHBondContact O-N 2.86Å
904	K	60.5	Low	53.8	Low	159 Å²	159	101.5 Å²	101.5	69%	0.691	54%	0.54	S	S	*	.	H	α-helix	trans	-64.7	-32.5	175.8	-87.6	-179.5	173.8	172.6	0	113.5	Q900 L901 A902 K908	Q900-K904 WeakPolarHBondContact O-CB 3.06Å; Q900-K904 PolarHBondContact O-N 3.41Å; L901-K904 PolarHBondContact O-N 3.11Å; A902-K904 PolarHBondContact O-N 3.47Å; K904-K908 VanDerWaalsContact O-CB 3.24Å; K904-K908 WeakPolarHBondContact O-CB 3.31Å; K904-K908 PolarHBondContact O-N 2.97Å
905	I	54.4	Low	54.1	Low	94 Å²	94	105 Å²	105	48%	0.482	54%	0.543	S	S	.	.	H	α-helix	trans	-73.4	-47.4	176	-71.8	165.6	0	0	0	110	L901 A902 E903 A907 K908 L909	L901-I905 VanDerWaalsContact O-CG1 3.3Å; L901-I905 WeakPolarHBondContact O-CG1 3.3Å; L901-I905 PolarHBondContact O-N 3.26Å; A902-I905 PolarHBondContact O-N 2.98Å; A902-I905 VanDerWaalsContact O-N 3.16Å; E903-I905 VanDerWaalsContact C-N 3.32Å; E903-I905 PolarHBondContact O-N 2.91Å; I905-A907 PolarHBondContact O-N 3.1Å; I905-K908 PolarHBondContact O-N 2.96Å; I905-K908 VanDerWaalsContact O-N 3.1Å; I905-L909 HydrophobicContact CG2-CD1 3.76Å; I905-L909 HydrophobicContact CG2-CG 4.45Å; I905-L909 WeakPolarHBondContact O-CG 3.06Å; I905-L909 PolarHBondContact O-N 3.3Å
906	N	60.8	Low	54.4	Low	57 Å²	57	104.7 Å²	104.7	31%	0.305	54%	0.542	S	S	.	.	H	α-helix	trans	-61.2	-44.1	179.1	-67.8	-9.6	0	0	0	111.9	A902 E903 K908 L909 N910 Y911	A902-N906 VanDerWaalsContact O-CG 3.29Å; A902-N906 PolarHBondContact O-N 3.19Å; E903-N906 PolarHBondContact O-N 2.86Å; N906-K908 VanDerWaalsContact C-N 3.31Å; N906-K908 PolarHBondContact O-N 3.22Å; N906-L909 CarbonylContact O-C 3.57Å; N906-L909 PolarHBondContact O-N 2.66Å; N906-N910 PolarHBondContact O-N 2.64Å; N906-Y911 PolarHBondContact O-N 2.68Å
907	A	60	Low	54	Low	77 Å²	77	105.9 Å²	105.9	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-64.2	-33	174.8	0	0	0	0	0	113	E903 I905 N910	E903-A907 VanDerWaalsContact O-CB 3.29Å; E903-A907 WeakPolarHBondContact O-CB 3.48Å; E903-A907 PolarHBondContact O-N 2.86Å; I905-A907 PolarHBondContact O-N 3.1Å; A907-N910 PolarHBondContact O-N 2.95Å
908	K	59.1	Low	53.5	Low	191 Å²	191	106.9 Å²	106.9	83%	0.83	55%	0.545	S	S	*	.	H	α-helix	trans	-79.9	-22.4	177.8	-164.6	-177.8	179.4	-163	0	113.2	K904 I905 N906	K904-K908 VanDerWaalsContact O-CB 3.24Å; K904-K908 WeakPolarHBondContact O-CB 3.31Å; K904-K908 PolarHBondContact O-N 2.97Å; I905-K908 PolarHBondContact O-N 2.96Å; I905-K908 VanDerWaalsContact O-N 3.1Å; N906-K908 VanDerWaalsContact C-N 3.31Å; N906-K908 PolarHBondContact O-N 3.22Å
909	L	44.2	Very low	53.1	Low	125 Å²	125	110.6 Å²	110.6	65%	0.654	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-2.5	171.9	-66.5	173.4	0	0	0	113	I905 N906 Y911	I905-L909 HydrophobicContact CG2-CD1 3.76Å; I905-L909 HydrophobicContact CG2-CG 4.45Å; I905-L909 WeakPolarHBondContact O-CG 3.06Å; I905-L909 PolarHBondContact O-N 3.3Å; N906-L909 CarbonylContact O-C 3.57Å; N906-L909 PolarHBondContact O-N 2.66Å; L909-Y911 PolarHBondContact O-N 2.73Å
910	N	50.1	Low	52.5	Low	149 Å²	149	114.7 Å²	114.7	80%	0.797	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.5	35.1	-174.4	-150.2	50.2	0	0	0	113.6	N906 A907	N906-N910 PolarHBondContact O-N 2.64Å; A907-N910 PolarHBondContact O-N 2.95Å
911	Y	54.4	Low	51.8	Low	124 Å²	124	118.4 Å²	118.4	49%	0.486	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-95.6	123.3	-177.4	176.6	-103.4	0	0	0	111.3	N906 L909	N906-Y911 PolarHBondContact O-N 2.68Å; L909-Y911 PolarHBondContact O-N 2.73Å
912	V	64	Low	51	Low	81 Å²	81	121.9 Å²	121.9	49%	0.491	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-95.1	124.4	172.7	-177.8	0	0	0	0	108.8	Q917	V912-Q917 HydrophobicContact CG1-CG 4.36Å
913	P	49.4	Very low	50.1	Low	46 Å²	46	126.9 Å²	126.9	30%	0.299	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-60.9	138.3	175.4	-24.1	34.8	0	0	0	112.5	E915 K916	P913-E915 PolarHBondContact O-N 2.7Å; P913-K916 PolarHBondContact O-N 2.75Å
914	L	45.9	Very low	49	Very low	104 Å²	104	124.2 Å²	124.2	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-56.6	-34.5	-179	-79.6	156.8	0	0	0	113.2	K916 Q917 E918	L914-K916 PolarHBondContact O-N 3.49Å; L914-Q917 CarbonylContact O-C 3.58Å; L914-Q917 WeakPolarHBondContact O-CA 3.31Å; L914-Q917 WeakPolarHBondContact O-CB 3.47Å; L914-Q917 PolarHBondContact O-N 2.82Å; L914-E918 PolarHBondContact O-N 2.91Å; L914-E918 VanDerWaalsContact O-N 3.08Å
915	E	51.6	Low	47.6	Very low	151 Å²	151	119.6 Å²	119.6	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-53.8	-39	179.1	-63.4	166	151.5	0	0	112	P913 E918 E919	P913-E915 PolarHBondContact O-N 2.7Å; E915-E918 PolarHBondContact O-N 3.43Å; E915-E919 PolarHBondContact O-N 3.32Å
916	K	51.5	Low	46.9	Very low	131 Å²	131	124 Å²	124	57%	0.57	64%	0.641	S	S	*	*	H	α-helix	trans	-73.4	-27.1	175.9	-73.2	-169.8	171.5	-173.9	0	113.8	P913 L914 E918 E920	P913-K916 PolarHBondContact O-N 2.75Å; L914-K916 PolarHBondContact O-N 3.49Å; K916-E918 VanDerWaalsContact C-N 3.26Å; K916-E920 PolarHBondContact O-N 3.18Å
917	Q	44.9	Very low	45.7	Very low	90 Å²	90	129.1 Å²	129.1	42%	0.421	67%	0.668	S	S	.	*	H	α-helix	trans	-78.9	-11.6	173.7	-63.7	-172.8	-18	0	0	112.6	V912 L914 R921	V912-Q917 HydrophobicContact CG1-CG 4.36Å; L914-Q917 CarbonylContact O-C 3.58Å; L914-Q917 WeakPolarHBondContact O-CA 3.31Å; L914-Q917 WeakPolarHBondContact O-CB 3.47Å; L914-Q917 PolarHBondContact O-N 2.82Å; Q917-R921 WeakPolarHBondContact O-CD 3.41Å; Q917-R921 WeakPolarHBondContact O-CG 3.28Å
918	E	41	Very low	44.6	Very low	113 Å²	113	133.6 Å²	133.6	53%	0.528	68%	0.676	S	S	.	*	H	α-helix	trans	-96.8	-33	173.3	-66.2	-174.2	150.1	0	0	111.7	L914 E915 K916 R921	L914-E918 PolarHBondContact O-N 2.91Å; L914-E918 VanDerWaalsContact O-N 3.08Å; E915-E918 PolarHBondContact O-N 3.43Å; K916-E918 VanDerWaalsContact C-N 3.26Å; E918-R921 PolarHBondContact O-N 2.79Å; E918-R921 VanDerWaalsContact O-N 3.15Å
919	E	42.1	Very low	44	Very low	136 Å²	136	127.9 Å²	127.9	64%	0.636	66%	0.66	S	S	*	*	H	α-helix	trans	-57.2	-47.4	165.8	-72.7	-179	141.3	0	0	111.6	E915 R921 Q922	E915-E919 PolarHBondContact O-N 3.32Å; E919-R921 PolarHBondContact O-N 3.41Å; E919-Q922 PolarHBondContact O-N 2.83Å
920	E	41.6	Very low	44.5	Very low	171 Å²	171	128.9 Å²	128.9	80%	0.799	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-7.6	176.7	-74	-176.6	160.2	0	0	114.4	K916	K916-E920 PolarHBondContact O-N 3.18Å
921	R	41.7	Very low	45.4	Very low	201 Å²	201	126.8 Å²	126.8	76%	0.758	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-9.5	177.3	-73.3	178.9	-179.4	-174.3	2.5	114.7	Q917 E918 E919	Q917-R921 WeakPolarHBondContact O-CD 3.41Å; Q917-R921 WeakPolarHBondContact O-CG 3.28Å; E918-R921 PolarHBondContact O-N 2.79Å; E918-R921 VanDerWaalsContact O-N 3.15Å; E919-R921 PolarHBondContact O-N 3.41Å
922	Q	39.6	Very low	46.6	Very low	173 Å²	173	124.7 Å²	124.7	81%	0.808	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-17.2	-175.1	-68	-168.7	2.7	0	0	114.6	E919 G924	E919-Q922 PolarHBondContact O-N 2.83Å; Q922-G924 VanDerWaalsContact C-N 3.32Å; Q922-G924 PolarHBondContact O-N 3.38Å
923	D	36.5	Very low	47.5	Very low	152 Å²	152	123.1 Å²	123.1	81%	0.813	62%	0.62	S	S	*	*			trans	-93.9	40.5	-179.5	-153.7	17	0	0	0	113.6	G925	D923-G925 VanDerWaalsContact C-N 3.27Å; D923-G925 PolarHBondContact O-N 3.32Å
924	G	35.8	Very low	49.1	Very low	83 Å²	83	122.8 Å²	122.8	86%	0.856	61%	0.614	S	S	*	*			trans	-77.2	62	-177.9	0	0	0	0	0	114.1	Q922	Q922-G924 VanDerWaalsContact C-N 3.32Å; Q922-G924 PolarHBondContact O-N 3.38Å
925	G	31.1	Very low	51	Low	63 Å²	63	118.5 Å²	118.5	65%	0.649	59%	0.591	S	S	*	*			trans	-126.3	52.6	-162.6	0	0	0	0	0	118.1	D923	D923-G925 VanDerWaalsContact C-N 3.27Å; D923-G925 PolarHBondContact O-N 3.32Å
926	Q	40.4	Very low	52.7	Low	186 Å²	186	112.8 Å²	112.8	87%	0.869	57%	0.565	S	S	*	*	S	Bend	trans	48.5	80.1	165.2	-66.9	-170.9	-14.8	0	0	118.5
927	N	34.1	Very low	54.4	Low	164 Å²	164	106.5 Å²	106.5	88%	0.877	54%	0.538	S	S	*	.			trans	-165.5	102.6	140.5	-105.6	-45.3	0	0	0	110.6	S929	N927-S929 PolarHBondContact O-N 3.34Å; N927-S929 VanDerWaalsContact O-N 3.09Å
928	E	38.7	Very low	56.2	Low	171 Å²	171	104.4 Å²	104.4	80%	0.799	53%	0.528	S	S	*	.			trans	-77.9	92.6	178.1	-70.8	-167.6	145.1	0	0	111.7	F930	E928-F930 HydrophobicContact CB-CD2 4.38Å; E928-F930 HydrophobicContact CB-CE2 4.01Å; E928-F930 PolarHBondContact O-N 3.35Å
929	S	45.6	Very low	58.4	Low	71 Å²	71	99 Å²	99	50%	0.497	50%	0.503	S	S	.	.			trans	-78.8	95.6	169.4	52.7	0	0	0	0	111	N927 K931	N927-S929 PolarHBondContact O-N 3.34Å; N927-S929 VanDerWaalsContact O-N 3.09Å; S929-K931 PolarHBondContact O-N 3.13Å; S929-K931 VanDerWaalsContact O-N 3.12Å
930	F	54.5	Low	60.5	Low	146 Å²	146	92.7 Å²	92.7	64%	0.64	47%	0.473	S	S	*	.			trans	-64.5	113.5	173.8	-79.9	-93.5	0	0	0	110.7	E928	E928-F930 HydrophobicContact CB-CD2 4.38Å; E928-F930 HydrophobicContact CB-CE2 4.01Å; E928-F930 PolarHBondContact O-N 3.35Å
931	K	70	Confident	62.4	Low	105 Å²	105	88.7 Å²	88.7	46%	0.457	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	119.9	178.9	-76.1	176.4	179.2	171.5	0	110.7	V827 D829 S929 Y933	V827-K931 HydrophobicContact CG1-CB 4.41Å; V827-K931 HydrophobicContact CG1-CG 4.47Å; D829-K931 VanDerWaalsContact OD1-CE 3.23Å; D829-K931 WeakPolarHBondContact OD1-CE 3.16Å; D829-K931 WeakPolarHBondContact OD1-CG 3.36Å; S929-K931 PolarHBondContact O-N 3.13Å; S929-K931 VanDerWaalsContact O-N 3.12Å; K931-Y933 HydrophobicContact CB-CE2 4.03Å
932	R	78.2	Confident	64.5	Low	80 Å²	80	79.3 Å²	79.3	30%	0.302	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128	171.4	-156.6	172.1	-167.8	-116.9	0.1	109.8	K828 E934 E992	K828-R932 PolarHBondContact N-O 2.88Å; K828-R932 PolarHBondContact O-N 3.02Å; K828-R932 VanDerWaalsContact O-N 3.14Å; R932-E934 HydrophobicContact CG-CG 4.3Å; R932-E934 IonicContact CZ-OE1 2.62Å; R932-E934 IonicContact NE-OE1 3.62Å; R932-E934 IonicContact NH1-OE1 3.52Å; R932-E934 PolarHBondContact NH1-OE1 2.86Å; R932-E992 IonicContact CZ-OE2 3.83Å; R932-E992 IonicContact NH1-OE1 4Å; R932-E992 IonicContact NH1-OE2 3.99Å; R932-E992 PolarHBondContact NH1-OE2 2.65Å; R932-E992 IonicContact NH2-OE2 3.81Å; R932-E992 PolarHBondContact NH2-OE2 3.29Å
933	Y	83.1	Confident	66.6	Low	48 Å²	48	73.5 Å²	73.5	19%	0.188	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.7	176.4	-61.9	-92.4	0	0	0	108.3	V827 K931 E992 S993 E996	V827-Y933 HydrophobicContact CG1-CE1 4.32Å; V827-Y933 HydrophobicContact CG2-CD1 3.87Å; V827-Y933 HydrophobicContact CG2-CE1 3.96Å; K931-Y933 HydrophobicContact CB-CE2 4.03Å; Y933-E992 WeakPolarHBondContact O-CA 3.49Å; Y933-S993 PolarHBondContact N-O 2.88Å; Y933-S993 PolarHBondContact O-N 2.99Å; Y933-E996 HydrophobicContact CD1-CB 3.81Å; Y933-E996 HydrophobicContact CD1-CG 4.28Å; Y933-E996 HydrophobicContact CD2-CB 4.43Å; Y933-E996 HydrophobicContact CE1-CB 3.79Å; Y933-E996 HydrophobicContact CE1-CG 4.43Å; Y933-E996 WeakPolarHBondContact CE1-OE2 3.36Å; Y933-E996 HydrophobicContact CE2-CB 4.43Å; Y933-E996 HydrophobicContact CG-CB 4.14Å
934	E	84.1	Confident	68.7	Low	39 Å²	39	71.3 Å²	71.3	18%	0.182	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.6	-177.8	-60.1	-178.7	169.5	0	0	108.7	R826 R932 I991 E992	R826-E934 PolarHBondContact N-O 3.41Å; R826-E934 PolarHBondContact O-N 3.26Å; R826-E934 VanDerWaalsContact O-O 3.04Å; R932-E934 HydrophobicContact CG-CG 4.3Å; R932-E934 IonicContact CZ-OE1 2.62Å; R932-E934 IonicContact NE-OE1 3.62Å; R932-E934 IonicContact NH1-OE1 3.52Å; R932-E934 PolarHBondContact NH1-OE1 2.86Å; E934-I991 CarbonylContact C-O 3.59Å; E934-I991 WeakPolarHBondContact CA-O 3.41Å; E934-E992 HydrophobicContact CG-CB 4.43Å; E934-E992 HydrophobicContact CG-CG 4.15Å
935	E	85.6	Confident	71	Confident	14 Å²	14	69.8 Å²	69.8	7%	0.065	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.3	177.9	-169	166.7	168.7	0	0	110.8	S823 L937 I991 V999 K1003	S823-E935 VanDerWaalsContact CB-OE1 3.31Å; S823-E935 WeakPolarHBondContact CB-OE1 3.39Å; E935-L937 HydrophobicContact CG-CD2 4.27Å; E935-I991 PolarHBondContact N-O 3.36Å; E935-I991 PolarHBondContact O-N 2.87Å; E935-V999 HydrophobicContact CB-CG1 3.67Å; E935-K1003 WeakPolarHBondContact OE1-CD 3.35Å; E935-K1003 WeakPolarHBondContact OE1-CE 3.38Å; E935-K1003 IonicContact OE1-NZ 2.68Å; E935-K1003 PolarHBondContact OE1-NZ 3.43Å
936	E	87.6	Confident	73.6	Confident	31 Å²	31	66.8 Å²	66.8	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.2	174.5	-57.9	-174.7	149.5	0	0	109.3	S823 K824 R985 Y988	S823-E936 WeakPolarHBondContact CA-O 3.29Å; K824-E936 HydrophobicContact CB-CB 4.46Å; K824-E936 PolarHBondContact N-O 3.2Å; K824-E936 VanDerWaalsContact N-O 3.11Å; K824-E936 PolarHBondContact O-N 3.16Å; E936-R985 IonicContact OE1-CZ 3.08Å; E936-R985 IonicContact OE1-NH1 3.43Å; E936-R985 PolarHBondContact OE1-NH1 2.89Å; E936-R985 IonicContact OE1-NH2 3.8Å; E936-R985 IonicContact OE2-CZ 2.79Å; E936-R985 IonicContact OE2-NH1 3.56Å; E936-R985 PolarHBondContact OE2-NH1 3.34Å; E936-R985 VanDerWaalsContact OE2-NH1 3.08Å; E936-R985 IonicContact OE2-NH2 3.97Å; E936-Y988 HydrophobicContact CB-CD2 3.86Å; E936-Y988 HydrophobicContact CB-CE2 4.22Å; E936-Y988 HydrophobicContact CG-CD2 3.98Å; E936-Y988 HydrophobicContact CG-CE2 3.79Å
937	L	85.4	Confident	75.8	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.4	170.7	-60.9	-175.8	0	0	0	110	F821 E935 I939 Y988 L989 I991 K1003 I1006	F821-L937 HydrophobicContact CD1-CB 4.38Å; F821-L937 HydrophobicContact CD1-CD2 4.37Å; F821-L937 HydrophobicContact CE1-CB 4.22Å; F821-L937 HydrophobicContact CE1-CD1 4.32Å; E935-L937 HydrophobicContact CG-CD2 4.27Å; L937-I939 PolarHBondContact O-N 3.42Å; L937-Y988 CarbonylContact O-C 3.55Å; L937-Y988 WeakPolarHBondContact O-CA 3.45Å; L937-Y988 VanDerWaalsContact O-CB 3.3Å; L937-Y988 WeakPolarHBondContact O-CB 3.47Å; L937-L989 PolarHBondContact N-O 2.95Å; L937-L989 PolarHBondContact O-N 2.93Å; L937-I991 HydrophobicContact CD1-CD1 3.65Å; L937-I991 HydrophobicContact CG-CD1 4.13Å; L937-K1003 HydrophobicContact CD1-CB 4.38Å; L937-K1003 HydrophobicContact CD1-CG 4.04Å; L937-K1003 HydrophobicContact CD2-CD 4.16Å; L937-K1003 HydrophobicContact CD2-CG 4.28Å; L937-I1006 HydrophobicContact CD1-CD1 4.17Å; L937-I1006 HydrophobicContact CD1-CG2 4.3Å
938	E	84.8	Confident	78.2	Confident	46 Å²	46	59 Å²	59	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	125.6	173.3	-167.5	172.9	126.3	0	0	110	N940 K986	E938-N940 HydrophobicContact CG-CB 4.39Å; E938-K986 HydrophobicContact CG-CB 4.38Å; E938-K986 HydrophobicContact CG-CD 4.28Å; E938-K986 WeakPolarHBondContact OE1-CD 3.46Å; E938-K986 WeakPolarHBondContact OE1-CE 3.42Å; E938-K986 IonicContact OE1-NZ 3.67Å; E938-K986 PolarHBondContact OE1-NZ 3.06Å
939	I	87.1	Confident	80.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.251	C	S	.	.			trans	-116.9	2.9	-178.6	62.4	163.9	0	0	0	113.2	F821 L937 D941 F942 R947 V950 T951 I987 L989	F821-I939 HydrophobicContact CE1-CG2 4.46Å; L937-I939 PolarHBondContact O-N 3.42Å; I939-D941 VanDerWaalsContact C-N 3.31Å; I939-D941 PolarHBondContact O-N 3.22Å; I939-F942 HydrophobicContact CB-CD2 4.4Å; I939-R947 WeakPolarHBondContact O-CD 2.84Å; I939-R947 VanDerWaalsContact O-CG 3.27Å; I939-R947 WeakPolarHBondContact O-CG 3.33Å; I939-V950 HydrophobicContact CD1-CG2 4.17Å; I939-T951 HydrophobicContact CD1-CG2 3.51Å; I939-I987 HydrophobicContact CD1-CD1 4.39Å; I939-I987 HydrophobicContact CD1-CG1 4.29Å; I939-I987 HydrophobicContact CG1-CG1 4.19Å; I939-I987 HydrophobicContact CG1-CG2 4.27Å; I939-I987 PolarHBondContact N-O 3.22Å; I939-L989 HydrophobicContact CD1-CD2 4.3Å; I939-L989 HydrophobicContact CD1-CG 4.12Å; I939-L989 HydrophobicContact CG2-CD1 4.2Å; I939-L989 HydrophobicContact CG2-CG 4.19Å
940	N	85.5	Confident	82.4	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.016	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-39.5	-170.7	-172	88.3	0	0	0	114	E938 R947 Y973 F974 K986 I987	E938-N940 HydrophobicContact CG-CB 4.39Å; N940-R947 PolarHBondContact O-NH1 3.23Å; N940-Y973 WeakPolarHBondContact OD1-CD2 3.46Å; N940-F974 PolarHBondContact ND2-O 3.29Å; N940-F974 PolarHBondContact OD1-N 3.37Å; N940-F974 PolarHBondContact OD1-O 3.18Å; N940-K986 HydrophobicContact CB-CB 3.93Å; N940-K986 HydrophobicContact CB-CD 3.82Å; N940-K986 HydrophobicContact CB-CG 4.02Å; N940-I987 HydrophobicContact CB-CG2 3.87Å; N940-I987 PolarHBondContact N-O 3.38Å
941	D	82.3	Confident	83.9	Confident	86 Å²	86	44.8 Å²	44.8	46%	0.46	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.8	-165.2	-59.2	-6.4	0	0	0	112.9	I939 K986	I939-D941 VanDerWaalsContact C-N 3.31Å; I939-D941 PolarHBondContact O-N 3.22Å; D941-K986 WeakPolarHBondContact OD1-CE 3.36Å; D941-K986 IonicContact OD1-NZ 3.21Å; D941-K986 PolarHBondContact OD1-NZ 3.01Å; D941-K986 IonicContact OD2-NZ 3.85Å; D941-K986 PolarHBondContact OD2-NZ 3.08Å
942	F	84.6	Confident	84.7	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.018	20%	0.198	C	C	.	.	S	Bend	trans	-70.2	155.8	171	-66.9	-82.5	0	0	0	112.3	I817 M820 F821 I939 R947 I1010 L1014	I817-F942 HydrophobicContact CG1-CE1 4.36Å; I817-F942 HydrophobicContact CG2-CE1 4.26Å; I817-F942 HydrophobicContact CG2-CZ 4.29Å; M820-F942 HydrophobicContact CB-CE1 4.11Å; M820-F942 HydrophobicContact CB-CE2 4.37Å; M820-F942 HydrophobicContact CB-CZ 3.79Å; M820-F942 HydrophobicContact CE-CD1 3.82Å; M820-F942 HydrophobicContact CE-CE1 3.53Å; M820-F942 HydrophobicContact CE-CZ 4.38Å; M820-F942 HydrophobicContact SD-CD1 4.36Å; M820-F942 HydrophobicContact SD-CE1 4.26Å; F821-F942 HydrophobicContact CD1-CE2 4.09Å; F821-F942 HydrophobicContact CD1-CZ 4.23Å; F821-F942 HydrophobicContact CD2-CZ 4.36Å; F821-F942 AromaticContact CE1-CE2 3.88Å; F821-F942 HydrophobicContact CE1-CE2 3.88Å; F821-F942 HydrophobicContact CE1-CZ 4.11Å; F821-F942 HydrophobicContact CE2-CZ 4.25Å; F821-F942 HydrophobicContact CG-CZ 4.36Å; F821-F942 HydrophobicContact CZ-CE2 4.28Å; F821-F942 HydrophobicContact CZ-CZ 4.13Å; I939-F942 HydrophobicContact CB-CD2 4.4Å; F942-R947 HydrophobicContact CB-CG 4.05Å; F942-R947 WeakPolarHBondContact O-CD 3.45Å; F942-R947 WeakPolarHBondContact O-CG 3.29Å; F942-R947 PolarHBondContact O-NH1 3.01Å; F942-I1010 HydrophobicContact CD1-CD1 4.34Å; F942-I1010 HydrophobicContact CD1-CG2 3.6Å; F942-I1010 HydrophobicContact CD2-CD1 4.1Å; F942-I1010 HydrophobicContact CE1-CD1 4.3Å; F942-I1010 HydrophobicContact CE1-CG2 3.63Å; F942-I1010 HydrophobicContact CE2-CD1 4.07Å; F942-I1010 HydrophobicContact CG-CD1 4.24Å; F942-I1010 HydrophobicContact CG-CG2 4.37Å; F942-I1010 HydrophobicContact CZ-CD1 4.17Å; F942-I1010 HydrophobicContact CZ-CG2 4.41Å; F942-L1014 HydrophobicContact CD1-CD1 4.45Å
943	P	84.4	Confident	85	Confident	51 Å²	51	46.2 Å²	46.2	33%	0.331	22%	0.22	S	C	.	.			trans	-57	151.3	176.5	-27.4	36.9	0	0	0	114.6	T945 A946 R947 L1014 L1017	P943-T945 VanDerWaalsContact C-N 3.32Å; P943-T945 PolarHBondContact O-N 2.81Å; P943-A946 PolarHBondContact O-N 3.02Å; P943-A946 VanDerWaalsContact O-N 3.11Å; P943-R947 WeakPolarHBondContact O-CG 3.36Å; P943-R947 PolarHBondContact O-N 2.91Å; P943-L1014 HydrophobicContact CG-CD2 3.74Å; P943-L1017 HydrophobicContact CB-CD1 3.74Å; P943-L1017 HydrophobicContact CG-CD1 4.04Å
944	Q	80.1	Confident	85.2	Confident	106 Å²	106	50.6 Å²	50.6	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-55.8	-39.5	-173.5	-179.7	173.2	-10.1	0	0	114.1	W948	Q944-W948 HydrophobicContact CG-CD2 4.06Å; Q944-W948 HydrophobicContact CG-CE3 4.32Å; Q944-W948 HydrophobicContact CG-CH2 4.49Å; Q944-W948 HydrophobicContact CG-CZ2 4.21Å; Q944-W948 WeakPolarHBondContact O-CB 3.17Å; Q944-W948 VanDerWaalsContact O-CG 3.32Å; Q944-W948 PolarHBondContact O-N 2.95Å
945	T	84.4	Confident	85.3	Confident	52 Å²	52	49 Å²	49	32%	0.319	24%	0.236	S	C	.	.	H	α-helix	trans	-66.3	-46.3	177.1	49.6	0	0	0	0	111.9	P943 R947 W948 K949 L1017	P943-T945 VanDerWaalsContact C-N 3.32Å; P943-T945 PolarHBondContact O-N 2.81Å; T945-R947 PolarHBondContact O-N 2.83Å; T945-W948 PolarHBondContact O-N 2.93Å; T945-K949 WeakPolarHBondContact O-CB 3.39Å; T945-K949 PolarHBondContact O-N 3.31Å; T945-L1017 WeakPolarHBondContact OG1-CD1 3.06Å
946	A	85.6	Confident	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-44.3	177.2	0	0	0	0	0	111.5	P943 K949 V950 I1010 E1013	P943-A946 PolarHBondContact O-N 3.02Å; P943-A946 VanDerWaalsContact O-N 3.11Å; A946-K949 WeakPolarHBondContact O-CB 3.36Å; A946-K949 PolarHBondContact O-N 3.18Å; A946-V950 PolarHBondContact O-N 2.75Å; A946-I1010 HydrophobicContact CB-CG2 4.46Å; A946-E1013 HydrophobicContact CB-CB 4.29Å; A946-E1013 HydrophobicContact CB-CG 4.43Å
947	R	85.4	Confident	85.3	Confident	22 Å²	22	53.1 Å²	53.1	8%	0.083	26%	0.256	C	S	.	.	H	α-helix	trans	-58.9	-50.9	173.3	-63.3	-168.3	-48.9	-117.1	5.7	111.5	I939 N940 F942 P943 T945 K949 V950 T951	I939-R947 WeakPolarHBondContact O-CD 2.84Å; I939-R947 VanDerWaalsContact O-CG 3.27Å; I939-R947 WeakPolarHBondContact O-CG 3.33Å; N940-R947 PolarHBondContact O-NH1 3.23Å; F942-R947 HydrophobicContact CB-CG 4.05Å; F942-R947 WeakPolarHBondContact O-CD 3.45Å; F942-R947 WeakPolarHBondContact O-CG 3.29Å; F942-R947 PolarHBondContact O-NH1 3.01Å; P943-R947 WeakPolarHBondContact O-CG 3.36Å; P943-R947 PolarHBondContact O-N 2.91Å; T945-R947 PolarHBondContact O-N 2.83Å; R947-K949 VanDerWaalsContact C-N 3.29Å; R947-K949 PolarHBondContact O-N 3.39Å; R947-V950 WeakPolarHBondContact O-CG2 3.41Å; R947-V950 PolarHBondContact O-N 2.84Å; R947-T951 WeakPolarHBondContact O-CG2 3.37Å; R947-T951 PolarHBondContact O-N 3.45Å; R947-T951 PolarHBondContact O-OG1 2.8Å
948	W	84.9	Confident	85.5	Confident	164 Å²	164	60.3 Å²	60.3	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-35.3	178.8	-77.4	-8.1	0	0	0	113.3	Q944 T945 T951 S952	Q944-W948 HydrophobicContact CG-CD2 4.06Å; Q944-W948 HydrophobicContact CG-CE3 4.32Å; Q944-W948 HydrophobicContact CG-CH2 4.49Å; Q944-W948 HydrophobicContact CG-CZ2 4.21Å; Q944-W948 WeakPolarHBondContact O-CB 3.17Å; Q944-W948 VanDerWaalsContact O-CG 3.32Å; Q944-W948 PolarHBondContact O-N 2.95Å; T945-W948 PolarHBondContact O-N 2.93Å; W948-T951 WeakPolarHBondContact CA-OG1 3.4Å; W948-S952 WeakPolarHBondContact O-CB 3.45Å; W948-S952 PolarHBondContact O-N 3.38Å
949	K	86.3	Confident	85.6	Confident	56 Å²	56	58.2 Å²	58.2	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-53.1	174.7	-169.4	71.9	164.3	-63.6	0	110.5	T945 A946 R947 S952 A955 E1012 E1013	T945-K949 WeakPolarHBondContact O-CB 3.39Å; T945-K949 PolarHBondContact O-N 3.31Å; A946-K949 WeakPolarHBondContact O-CB 3.36Å; A946-K949 PolarHBondContact O-N 3.18Å; R947-K949 VanDerWaalsContact C-N 3.29Å; R947-K949 PolarHBondContact O-N 3.39Å; K949-S952 WeakPolarHBondContact O-CB 3.43Å; K949-S952 PolarHBondContact O-N 2.86Å; K949-S952 PolarHBondContact O-OG 2.81Å; K949-A955 WeakPolarHBondContact O-CB 3.47Å; K949-E1012 IonicContact NZ-OE1 2.7Å; K949-E1012 PolarHBondContact NZ-OE1 2.98Å; K949-E1013 HydrophobicContact CB-CG 4.48Å; K949-E1013 IonicContact NZ-OE2 2.7Å; K949-E1013 PolarHBondContact NZ-OE2 3.2Å
950	V	86	Confident	85.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-77.1	-25.1	-178.6	-60.1	0	0	0	0	114.6	I939 A946 R947 S952 L956 L989 I1006 L1009 I1010	I939-V950 HydrophobicContact CD1-CG2 4.17Å; A946-V950 PolarHBondContact O-N 2.75Å; R947-V950 WeakPolarHBondContact O-CG2 3.41Å; R947-V950 PolarHBondContact O-N 2.84Å; V950-S952 VanDerWaalsContact C-N 3.32Å; V950-L956 VanDerWaalsContact O-CD2 3.31Å; V950-L956 WeakPolarHBondContact O-CD2 3.34Å; V950-L956 WeakPolarHBondContact O-CG 3.29Å; V950-L989 HydrophobicContact CB-CD1 4.43Å; V950-L989 HydrophobicContact CG2-CD1 4.26Å; V950-I1006 HydrophobicContact CG1-CG2 4.29Å; V950-L1009 HydrophobicContact CG1-CB 3.99Å; V950-I1010 HydrophobicContact CG1-CD1 4.34Å; V950-I1010 HydrophobicContact CG1-CG1 3.66Å; V950-I1010 HydrophobicContact CG2-CD1 4.49Å
951	T	86.4	Confident	85.8	Confident	33 Å²	33	66.2 Å²	66.2	20%	0.202	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.7	172.4	62.6	0	0	0	0	113.6	I939 R947 W948 I969 I987 L989	I939-T951 HydrophobicContact CD1-CG2 3.51Å; R947-T951 WeakPolarHBondContact O-CG2 3.37Å; R947-T951 PolarHBondContact O-N 3.45Å; R947-T951 PolarHBondContact O-OG1 2.8Å; W948-T951 WeakPolarHBondContact CA-OG1 3.4Å; T951-I969 HydrophobicContact CG2-CD1 4.07Å; T951-I969 HydrophobicContact CG2-CG1 4.3Å; T951-I987 HydrophobicContact CG2-CD1 4.48Å; T951-L989 HydrophobicContact CG2-CD2 4.45Å
952	S	87.6	Confident	86.1	Confident	39 Å²	39	69.2 Å²	69.2	27%	0.273	32%	0.321	S	S	.	.	S	Bend	trans	-69.4	140.7	179.5	69.9	0	0	0	0	111.1	W948 K949 V950 E954 A955 L956	W948-S952 WeakPolarHBondContact O-CB 3.45Å; W948-S952 PolarHBondContact O-N 3.38Å; K949-S952 WeakPolarHBondContact O-CB 3.43Å; K949-S952 PolarHBondContact O-N 2.86Å; K949-S952 PolarHBondContact O-OG 2.81Å; V950-S952 VanDerWaalsContact C-N 3.32Å; S952-E954 PolarHBondContact O-N 3.36Å; S952-A955 PolarHBondContact O-N 3.49Å; S952-A955 WeakPolarHBondContact OG-CB 3.48Å; S952-A955 PolarHBondContact OG-N 3.24Å; S952-L956 PolarHBondContact O-N 2.9Å
953	K	84	Confident	86.2	Confident	176 Å²	176	69.1 Å²	69.1	77%	0.765	32%	0.321	S	S	*	.	H	α-helix	trans	-56.5	-39.4	-178	-172.7	-179.1	177.1	-174.2	0	112.1	Q957	K953-Q957 WeakPolarHBondContact O-CB 3.49Å; K953-Q957 PolarHBondContact O-N 3.48Å
954	E	88	Confident	86.4	Confident	141 Å²	141	74 Å²	74	66%	0.659	34%	0.34	S	S	*	.	H	α-helix	trans	-71.1	-29.7	178.5	-62.7	178.4	-175.4	0	0	113.8	S952 R958	S952-E954 PolarHBondContact O-N 3.36Å; E954-R958 WeakPolarHBondContact O-CB 3.31Å; E954-R958 WeakPolarHBondContact O-CG 3.39Å; E954-R958 PolarHBondContact O-N 2.88Å; E954-R958 PolarHBondContact O-NE 3.48Å; E954-R958 IonicContact OE2-NH2 2.62Å
955	A	85.4	Confident	86.8	Confident	6 Å²	6	69.1 Å²	69.1	5%	0.05	32%	0.317	C	S	.	.	H	α-helix	trans	-75	-50.9	172.8	0	0	0	0	0	110	K949 S952 Q957 R958 I959 L1009	K949-A955 WeakPolarHBondContact O-CB 3.47Å; S952-A955 PolarHBondContact O-N 3.49Å; S952-A955 WeakPolarHBondContact OG-CB 3.48Å; S952-A955 PolarHBondContact OG-N 3.24Å; A955-Q957 VanDerWaalsContact C-N 3.3Å; A955-Q957 PolarHBondContact O-N 2.79Å; A955-R958 PolarHBondContact O-N 3.34Å; A955-R958 VanDerWaalsContact O-N 3.12Å; A955-I959 HydrophobicContact CB-CD1 4.32Å; A955-I959 WeakPolarHBondContact O-CD1 3.45Å; A955-I959 WeakPolarHBondContact O-CG1 3.49Å; A955-I959 PolarHBondContact O-N 2.95Å; A955-L1009 HydrophobicContact CB-CD1 4.47Å
956	L	87.4	Confident	86.9	Confident	26 Å²	26	68.9 Å²	68.9	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-57.3	-41.4	-179.7	-69.3	175.3	0	0	0	112.5	V950 S952 S960 I967 I969 L989	V950-L956 VanDerWaalsContact O-CD2 3.31Å; V950-L956 WeakPolarHBondContact O-CD2 3.34Å; V950-L956 WeakPolarHBondContact O-CG 3.29Å; S952-L956 PolarHBondContact O-N 2.9Å; L956-S960 VanDerWaalsContact O-CB 3.25Å; L956-S960 WeakPolarHBondContact O-CB 3.35Å; L956-S960 PolarHBondContact O-N 3.25Å; L956-I967 HydrophobicContact CD2-CB 4.23Å; L956-I967 HydrophobicContact CD2-CG2 3.64Å; L956-I969 HydrophobicContact CD1-CD1 3.83Å; L956-I969 HydrophobicContact CD1-CG1 3.89Å; L956-L989 HydrophobicContact CD2-CD2 4.31Å
957	Q	86.1	Confident	87.1	Confident	105 Å²	105	69.9 Å²	69.9	49%	0.491	33%	0.325	S	S	.	.	H	α-helix	trans	-62.8	-51.1	174.2	-178.5	169.1	-12.4	0	0	111.7	K953 A955 I959 S960 E961	K953-Q957 WeakPolarHBondContact O-CB 3.49Å; K953-Q957 PolarHBondContact O-N 3.48Å; A955-Q957 VanDerWaalsContact C-N 3.3Å; A955-Q957 PolarHBondContact O-N 2.79Å; Q957-I959 PolarHBondContact O-N 3.35Å; Q957-S960 PolarHBondContact O-N 3.49Å; Q957-E961 HydrophobicContact CG-CG 4.35Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.34Å; Q957-E961 PolarHBondContact NE2-OE1 3.42Å; Q957-E961 WeakPolarHBondContact O-CB 3.45Å; Q957-E961 WeakPolarHBondContact O-CG 3.45Å; Q957-E961 PolarHBondContact O-N 2.95Å
958	R	88.5	Confident	87.2	Confident	151 Å²	151	71.4 Å²	71.4	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-60.1	-41.6	178.8	-81.3	-179.3	-76.7	179.2	-12.4	113.4	E954 A955 Y962	E954-R958 WeakPolarHBondContact O-CB 3.31Å; E954-R958 WeakPolarHBondContact O-CG 3.39Å; E954-R958 PolarHBondContact O-N 2.88Å; E954-R958 PolarHBondContact O-NE 3.48Å; E954-R958 IonicContact OE2-NH2 2.62Å; A955-R958 PolarHBondContact O-N 3.34Å; A955-R958 VanDerWaalsContact O-N 3.12Å; R958-Y962 VanDerWaalsContact O-CB 3.22Å; R958-Y962 WeakPolarHBondContact O-CB 3.42Å; R958-Y962 PolarHBondContact O-N 3.31Å
959	I	87.8	Confident	87.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-67.3	-40.8	178	-55.3	153.5	0	0	0	109.3	A955 Q957 Y962 S963 I967 A1002 E1005 I1006 L1009	A955-I959 HydrophobicContact CB-CD1 4.32Å; A955-I959 WeakPolarHBondContact O-CD1 3.45Å; A955-I959 WeakPolarHBondContact O-CG1 3.49Å; A955-I959 PolarHBondContact O-N 2.95Å; Q957-I959 PolarHBondContact O-N 3.35Å; I959-Y962 PolarHBondContact O-N 3.46Å; I959-S963 WeakPolarHBondContact O-CB 3.37Å; I959-S963 PolarHBondContact O-N 2.83Å; I959-S963 PolarHBondContact O-OG 2.95Å; I959-I967 HydrophobicContact CB-CD1 3.82Å; I959-I967 HydrophobicContact CG2-CD1 3.45Å; I959-I967 VanDerWaalsContact CG2-CD1 3.45Å; I959-A1002 HydrophobicContact CG2-CB 4.28Å; I959-E1005 HydrophobicContact CG1-CG 4.06Å; I959-E1005 HydrophobicContact CG2-CB 4.36Å; I959-I1006 HydrophobicContact CD1-CG1 3.93Å; I959-I1006 HydrophobicContact CG2-CG1 4.3Å; I959-L1009 HydrophobicContact CD1-CD1 3.76Å; I959-L1009 HydrophobicContact CG1-CD1 4Å
960	S	87.7	Confident	87.3	Confident	43 Å²	43	68.9 Å²	68.9	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-43.4	178.2	-166.2	0	0	0	0	112	L956 Q957 Y962 S963 E964 A965	L956-S960 VanDerWaalsContact O-CB 3.25Å; L956-S960 WeakPolarHBondContact O-CB 3.35Å; L956-S960 PolarHBondContact O-N 3.25Å; Q957-S960 PolarHBondContact O-N 3.49Å; S960-Y962 PolarHBondContact O-N 2.83Å; S960-S963 PolarHBondContact O-N 3.17Å; S960-E964 PolarHBondContact O-N 3.46Å; S960-A965 WeakPolarHBondContact CA-O 3.5Å; S960-A965 WeakPolarHBondContact CB-O 3.36Å; S960-A965 PolarHBondContact OG-O 2.93Å
961	E	88.4	Confident	87.3	Confident	128 Å²	128	70.9 Å²	70.9	60%	0.598	35%	0.351	S	S	*	.	H	α-helix	trans	-64	-37.4	174.6	-73.4	170.6	-177.5	0	0	112.4	Q957	Q957-E961 HydrophobicContact CG-CG 4.35Å; Q957-E961 WeakPolarHBondContact CG-OE1 3.34Å; Q957-E961 PolarHBondContact NE2-OE1 3.42Å; Q957-E961 WeakPolarHBondContact O-CB 3.45Å; Q957-E961 WeakPolarHBondContact O-CG 3.45Å; Q957-E961 PolarHBondContact O-N 2.95Å
962	Y	88.9	Confident	87	Confident	149 Å²	149	72.9 Å²	72.9	58%	0.584	36%	0.364	S	S	*	.	H	α-helix	trans	-76.5	-33.6	179	175.9	-102.3	0	0	0	114	R958 I959 S960 E1005	R958-Y962 VanDerWaalsContact O-CB 3.22Å; R958-Y962 WeakPolarHBondContact O-CB 3.42Å; R958-Y962 PolarHBondContact O-N 3.31Å; I959-Y962 PolarHBondContact O-N 3.46Å; S960-Y962 PolarHBondContact O-N 2.83Å; Y962-E1005 HydrophobicContact CD1-CB 4.5Å
963	S	86.9	Confident	86.8	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.007	37%	0.371	C	S	.	.	H	α-helix	trans	-100.7	-18	-171	63.7	0	0	0	0	115.1	I959 S960 A965 A998	I959-S963 WeakPolarHBondContact O-CB 3.37Å; I959-S963 PolarHBondContact O-N 2.83Å; I959-S963 PolarHBondContact O-OG 2.95Å; S960-S963 PolarHBondContact O-N 3.17Å; S963-A965 PolarHBondContact O-N 3.41Å; S963-A965 PolarHBondContact OG-N 2.85Å; S963-A998 VanDerWaalsContact O-CA 3.29Å; S963-A998 WeakPolarHBondContact O-CA 3.43Å; S963-A998 WeakPolarHBondContact O-CB 3.28Å
964	E	87.9	Confident	86.7	Confident	155 Å²	155	69 Å²	69	72%	0.724	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	28	-169.2	-55.9	172	-174.4	0	0	112.9	S960 S993	S960-E964 PolarHBondContact O-N 3.46Å; E964-S993 PolarHBondContact O-OG 3.08Å; E964-S993 VanDerWaalsContact O-OG 3.11Å
965	A	89.1	Confident	86.2	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.017	33%	0.328	C	S	.	.			trans	-113.7	139.8	174.2	0	0	0	0	0	111.6	S960 S963 I991 A998 A1002	S960-A965 WeakPolarHBondContact CA-O 3.5Å; S960-A965 WeakPolarHBondContact CB-O 3.36Å; S960-A965 PolarHBondContact OG-O 2.93Å; S963-A965 PolarHBondContact O-N 3.41Å; S963-A965 PolarHBondContact OG-N 2.85Å; A965-I991 HydrophobicContact CB-CG2 3.74Å; A965-A998 HydrophobicContact CB-CB 4.44Å; A965-A1002 HydrophobicContact CB-CB 4.06Å
966	A	87.5	Confident	85.5	Confident	48 Å²	48	70 Å²	70	40%	0.397	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	127	171.1	0	0	0	0	0	109.5	I991 E992	A966-I991 WeakPolarHBondContact O-CA 3.47Å; A966-E992 PolarHBondContact N-O 2.84Å; A966-E992 PolarHBondContact O-N 3.39Å
967	I	89.2	Confident	84.5	Confident	20 Å²	20	73 Å²	73	10%	0.103	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124	-177.6	-51.7	169.4	0	0	0	109	L956 I959 L989 A990 I991 A1002 I1006	L956-I967 HydrophobicContact CD2-CB 4.23Å; L956-I967 HydrophobicContact CD2-CG2 3.64Å; I959-I967 HydrophobicContact CB-CD1 3.82Å; I959-I967 HydrophobicContact CG2-CD1 3.45Å; I959-I967 VanDerWaalsContact CG2-CD1 3.45Å; I967-L989 HydrophobicContact CG2-CB 4.31Å; I967-L989 HydrophobicContact CG2-CD2 4.47Å; I967-A990 WeakPolarHBondContact CA-O 3.41Å; I967-I991 HydrophobicContact CG1-CG1 4.44Å; I967-I991 HydrophobicContact CG1-CG2 4.44Å; I967-I991 HydrophobicContact CG2-CG1 4.46Å; I967-A1002 HydrophobicContact CD1-CB 4.3Å; I967-I1006 HydrophobicContact CD1-CD1 4.39Å
968	T	86.4	Confident	83.9	Confident	54 Å²	54	75 Å²	75	33%	0.331	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.2	178.3	60.7	0	0	0	0	111.5	R970 A990	T968-R970 PolarHBondContact OG1-NE 3.41Å; T968-R970 PolarHBondContact OG1-NH2 3.08Å; T968-A990 PolarHBondContact N-O 3.19Å; T968-A990 PolarHBondContact O-N 3.49Å
969	I	88.3	Confident	82.9	Confident	78 Å²	78	76.4 Å²	76.4	40%	0.4	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.8	172.7	-50	164.7	0	0	0	108.1	T951 L956 I987 L989	T951-I969 HydrophobicContact CG2-CD1 4.07Å; T951-I969 HydrophobicContact CG2-CG1 4.3Å; L956-I969 HydrophobicContact CD1-CD1 3.83Å; L956-I969 HydrophobicContact CD1-CG1 3.89Å; I969-I987 HydrophobicContact CG2-CD1 3.85Å; I969-I987 HydrophobicContact CG2-CG1 3.96Å; I969-L989 HydrophobicContact CB-CD2 4.46Å; I969-L989 HydrophobicContact CG1-CD2 3.87Å
970	R	86	Confident	82.3	Confident	90 Å²	90	78.8 Å²	78.8	34%	0.34	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.9	177.2	-64.2	-176.9	-173.7	158.9	8.2	110.7	T968 I987 Y988 E992	T968-R970 PolarHBondContact OG1-NE 3.41Å; T968-R970 PolarHBondContact OG1-NH2 3.08Å; R970-I987 WeakPolarHBondContact O-CA 3.44Å; R970-Y988 HydrophobicContact CB-CD1 3.98Å; R970-Y988 HydrophobicContact CB-CD2 4.36Å; R970-Y988 HydrophobicContact CB-CE1 3.41Å; R970-Y988 VanDerWaalsContact CB-CE1 3.41Å; R970-Y988 HydrophobicContact CB-CE2 3.86Å; R970-Y988 HydrophobicContact CB-CG 4.43Å; R970-Y988 WeakPolarHBondContact CD-OH 3.24Å; R970-Y988 HydrophobicContact CG-CE2 4.48Å; R970-Y988 PolarHBondContact N-O 3.49Å; R970-Y988 VanDerWaalsContact O-CD1 3.28Å; R970-Y988 WeakPolarHBondContact O-CD1 3.1Å; R970-Y988 PolarHBondContact O-N 3.06Å; R970-E992 IonicContact CZ-OE1 3.71Å; R970-E992 IonicContact NH1-OE1 3.17Å; R970-E992 PolarHBondContact NH1-OE1 3.49Å; R970-E992 IonicContact NH2-OE1 2.76Å; R970-E992 PolarHBondContact NH2-OE1 3Å; R970-E992 IonicContact NH2-OE2 2.73Å
971	G	84.9	Confident	81.5	Confident	41 Å²	41	84.7 Å²	84.7	42%	0.423	45%	0.451	S	S	.	.	S	Bend	trans	77.7	179.8	-177.1	0	0	0	0	0	114.2	R985	G971-R985 CarbonylContact C-O 3.58Å; G971-R985 VanDerWaalsContact CA-O 3.3Å; G971-R985 WeakPolarHBondContact CA-O 3.36Å
972	T	81.8	Confident	80	Confident	76 Å²	76	88.5 Å²	88.5	47%	0.466	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-121	154.3	-176.7	43.9	0	0	0	0	111.4	F974 R985 K986 I987	T972-F974 VanDerWaalsContact O-CD2 3.3Å; T972-F974 WeakPolarHBondContact O-CD2 3.41Å; T972-F974 VanDerWaalsContact OG1-CE2 3.23Å; T972-F974 WeakPolarHBondContact OG1-CE2 3.3Å; T972-R985 PolarHBondContact N-O 3.45Å; T972-R985 PolarHBondContact OG1-O 3.06Å; T972-K986 CarbonylContact O-C 3.57Å; T972-K986 VanDerWaalsContact O-C 3.3Å; T972-K986 VanDerWaalsContact O-CA 3.31Å; T972-K986 WeakPolarHBondContact O-CA 3.32Å; T972-I987 PolarHBondContact O-N 3.03Å
973	Y	82.9	Confident	79	Confident	106 Å²	106	85.4 Å²	85.4	42%	0.416	48%	0.482	S	S	.	.			trans	-80.2	126.2	179.3	168.9	-118.9	0	0	0	111.7	N940 P975	N940-Y973 WeakPolarHBondContact OD1-CD2 3.46Å; Y973-P975 HydrophobicContact CE1-CG 4.48Å
974	F	82	Confident	78.4	Confident	26 Å²	26	90.2 Å²	90.2	11%	0.114	51%	0.505	C	S	.	.			trans	-110.6	127.7	173.1	-69.2	-95.1	0	0	0	110.3	N940 T972 P980 E984 K986	N940-F974 PolarHBondContact ND2-O 3.29Å; N940-F974 PolarHBondContact OD1-N 3.37Å; N940-F974 PolarHBondContact OD1-O 3.18Å; T972-F974 VanDerWaalsContact O-CD2 3.3Å; T972-F974 WeakPolarHBondContact O-CD2 3.41Å; T972-F974 VanDerWaalsContact OG1-CE2 3.23Å; T972-F974 WeakPolarHBondContact OG1-CE2 3.3Å; F974-P980 HydrophobicContact CD1-CB 4.36Å; F974-P980 HydrophobicContact CD2-CB 4.4Å; F974-P980 HydrophobicContact CE1-CB 3.92Å; F974-P980 HydrophobicContact CE2-CB 3.95Å; F974-P980 HydrophobicContact CZ-CB 3.7Å; F974-E984 HydrophobicContact CZ-CB 3.97Å; F974-E984 WeakPolarHBondContact CZ-OE2 3.48Å; F974-K986 HydrophobicContact CD2-CG 4.13Å
975	P	76.3	Confident	78	Confident	63 Å²	63	88.2 Å²	88.2	41%	0.409	49%	0.49	S	S	.	.			trans	-57.6	147.8	173.5	-25	34.8	0	0	0	112.6	Y973 G977 K978	Y973-P975 HydrophobicContact CE1-CG 4.48Å; P975-G977 PolarHBondContact O-N 2.94Å; P975-K978 PolarHBondContact O-N 3.26Å
976	P	71.8	Confident	77.8	Confident	107 Å²	107	90.3 Å²	90.3	70%	0.695	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	136.4	177.3	-28.4	35.4	0	0	0	112.9
977	G	67.2	Low	77.8	Confident	88 Å²	88	89.3 Å²	89.3	91%	0.907	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	9.3	-179.5	0	0	0	0	0	115.8	P975	P975-G977 PolarHBondContact O-N 2.94Å
978	K	72.3	Confident	77.7	Confident	146 Å²	146	89.7 Å²	89.7	64%	0.635	49%	0.487	S	S	*	.			trans	-116.1	121.9	167.9	-69.6	-171.4	176.7	-175.5	0	111.3	P975	P975-K978 PolarHBondContact O-N 3.26Å
979	E	68.3	Low	77.8	Confident	182 Å²	182	87.1 Å²	87.1	85%	0.85	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-76.7	146.4	172.3	-61.8	-171	149.5	0	0	111
980	P	74.1	Confident	77.8	Confident	52 Å²	52	83.6 Å²	83.6	34%	0.338	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-70.5	151.6	176.6	30.7	-35.4	0	0	0	111.4	F974 E984	F974-P980 HydrophobicContact CD1-CB 4.36Å; F974-P980 HydrophobicContact CD2-CB 4.4Å; F974-P980 HydrophobicContact CE1-CB 3.92Å; F974-P980 HydrophobicContact CE2-CB 3.95Å; F974-P980 HydrophobicContact CZ-CB 3.7Å; P980-E984 HydrophobicContact CB-CB 4.36Å
981	K	71.4	Confident	78	Confident	166 Å²	166	79.3 Å²	79.3	72%	0.722	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-74.7	158.4	174.3	-70	-177.9	177.9	-179.7	0	111.2	G983 E984	K981-G983 PolarHBondContact O-N 3.09Å; K981-G983 VanDerWaalsContact O-N 3.07Å; K981-E984 PolarHBondContact O-N 2.87Å
982	E	57.7	Low	78.2	Confident	209 Å²	209	78.4 Å²	78.4	98%	0.977	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	113	179.7	-170.2	168.8	-154.1	0	0	111.6
983	G	66.6	Low	78.5	Confident	83 Å²	83	75.7 Å²	75.7	86%	0.856	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-22.4	-175.8	0	0	0	0	0	115.2	K981	K981-G983 PolarHBondContact O-N 3.09Å; K981-G983 VanDerWaalsContact O-N 3.07Å
984	E	76	Confident	78.5	Confident	103 Å²	103	74.3 Å²	74.3	48%	0.481	42%	0.417	S	S	.	.			trans	-88.8	154.2	177	-63.4	-177.3	153.2	0	0	111.9	F974 P980 K981	F974-E984 HydrophobicContact CZ-CB 3.97Å; F974-E984 WeakPolarHBondContact CZ-OE2 3.48Å; P980-E984 HydrophobicContact CB-CB 4.36Å; K981-E984 PolarHBondContact O-N 2.87Å
985	R	78.6	Confident	78.6	Confident	112 Å²	112	77 Å²	77	42%	0.423	43%	0.433	S	S	.	.			trans	-130	137.7	177	-83	-176.3	161.7	-149.6	-5.5	110.9	E936 G971 T972 Y988	E936-R985 IonicContact OE1-CZ 3.08Å; E936-R985 IonicContact OE1-NH1 3.43Å; E936-R985 PolarHBondContact OE1-NH1 2.89Å; E936-R985 IonicContact OE1-NH2 3.8Å; E936-R985 IonicContact OE2-CZ 2.79Å; E936-R985 IonicContact OE2-NH1 3.56Å; E936-R985 PolarHBondContact OE2-NH1 3.34Å; E936-R985 VanDerWaalsContact OE2-NH1 3.08Å; E936-R985 IonicContact OE2-NH2 3.97Å; G971-R985 CarbonylContact C-O 3.58Å; G971-R985 VanDerWaalsContact CA-O 3.3Å; G971-R985 WeakPolarHBondContact CA-O 3.36Å; T972-R985 PolarHBondContact N-O 3.45Å; T972-R985 PolarHBondContact OG1-O 3.06Å; R985-Y988 HydrophobicContact CB-CE1 4.48Å
986	K	84.2	Confident	78.9	Confident	47 Å²	47	76.8 Å²	76.8	20%	0.204	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-47.9	153.9	163	-81.7	-177.1	169.9	-166.8	0	112.1	E938 N940 D941 T972 F974 Y988	E938-K986 HydrophobicContact CG-CB 4.38Å; E938-K986 HydrophobicContact CG-CD 4.28Å; E938-K986 WeakPolarHBondContact OE1-CD 3.46Å; E938-K986 WeakPolarHBondContact OE1-CE 3.42Å; E938-K986 IonicContact OE1-NZ 3.67Å; E938-K986 PolarHBondContact OE1-NZ 3.06Å; N940-K986 HydrophobicContact CB-CB 3.93Å; N940-K986 HydrophobicContact CB-CD 3.82Å; N940-K986 HydrophobicContact CB-CG 4.02Å; D941-K986 WeakPolarHBondContact OD1-CE 3.36Å; D941-K986 IonicContact OD1-NZ 3.21Å; D941-K986 PolarHBondContact OD1-NZ 3.01Å; D941-K986 IonicContact OD2-NZ 3.85Å; D941-K986 PolarHBondContact OD2-NZ 3.08Å; T972-K986 CarbonylContact O-C 3.57Å; T972-K986 VanDerWaalsContact O-C 3.3Å; T972-K986 VanDerWaalsContact O-CA 3.31Å; T972-K986 WeakPolarHBondContact O-CA 3.32Å; F974-K986 HydrophobicContact CD2-CG 4.13Å; K986-Y988 WeakPolarHBondContact O-CD1 3.44Å
987	I	87.6	Confident	79.5	Confident	26 Å²	26	76.2 Å²	76.2	13%	0.133	42%	0.417	C	S	.	.			trans	-68.4	128.8	179.8	-175	171.7	0	0	0	112.4	I939 N940 T951 I969 R970 T972	I939-I987 HydrophobicContact CD1-CD1 4.39Å; I939-I987 HydrophobicContact CD1-CG1 4.29Å; I939-I987 HydrophobicContact CG1-CG1 4.19Å; I939-I987 HydrophobicContact CG1-CG2 4.27Å; I939-I987 PolarHBondContact N-O 3.22Å; N940-I987 HydrophobicContact CB-CG2 3.87Å; N940-I987 PolarHBondContact N-O 3.38Å; T951-I987 HydrophobicContact CG2-CD1 4.48Å; I969-I987 HydrophobicContact CG2-CD1 3.85Å; I969-I987 HydrophobicContact CG2-CG1 3.96Å; R970-I987 WeakPolarHBondContact O-CA 3.44Å; T972-I987 PolarHBondContact O-N 3.03Å
988	Y	88	Confident	80.4	Confident	29 Å²	29	72.2 Å²	72.2	11%	0.114	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.3	-180	67.6	-75.7	0	0	0	111.7	E936 L937 R970 R985 K986 A990	E936-Y988 HydrophobicContact CB-CD2 3.86Å; E936-Y988 HydrophobicContact CB-CE2 4.22Å; E936-Y988 HydrophobicContact CG-CD2 3.98Å; E936-Y988 HydrophobicContact CG-CE2 3.79Å; L937-Y988 CarbonylContact O-C 3.55Å; L937-Y988 WeakPolarHBondContact O-CA 3.45Å; L937-Y988 VanDerWaalsContact O-CB 3.3Å; L937-Y988 WeakPolarHBondContact O-CB 3.47Å; R970-Y988 HydrophobicContact CB-CD1 3.98Å; R970-Y988 HydrophobicContact CB-CD2 4.36Å; R970-Y988 HydrophobicContact CB-CE1 3.41Å; R970-Y988 VanDerWaalsContact CB-CE1 3.41Å; R970-Y988 HydrophobicContact CB-CE2 3.86Å; R970-Y988 HydrophobicContact CB-CG 4.43Å; R970-Y988 WeakPolarHBondContact CD-OH 3.24Å; R970-Y988 HydrophobicContact CG-CE2 4.48Å; R970-Y988 PolarHBondContact N-O 3.49Å; R970-Y988 VanDerWaalsContact O-CD1 3.28Å; R970-Y988 WeakPolarHBondContact O-CD1 3.1Å; R970-Y988 PolarHBondContact O-N 3.06Å; R985-Y988 HydrophobicContact CB-CE1 4.48Å; K986-Y988 WeakPolarHBondContact O-CD1 3.44Å; Y988-A990 HydrophobicContact CD2-CB 4.34Å; Y988-A990 HydrophobicContact CE2-CB 4.06Å
989	L	88.6	Confident	81	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123	166	-60.3	177	0	0	0	108.1	L937 I939 V950 T951 L956 I967 I969 I1006	L937-L989 PolarHBondContact N-O 2.95Å; L937-L989 PolarHBondContact O-N 2.93Å; I939-L989 HydrophobicContact CD1-CD2 4.3Å; I939-L989 HydrophobicContact CD1-CG 4.12Å; I939-L989 HydrophobicContact CG2-CD1 4.2Å; I939-L989 HydrophobicContact CG2-CG 4.19Å; V950-L989 HydrophobicContact CB-CD1 4.43Å; V950-L989 HydrophobicContact CG2-CD1 4.26Å; T951-L989 HydrophobicContact CG2-CD2 4.45Å; L956-L989 HydrophobicContact CD2-CD2 4.31Å; I967-L989 HydrophobicContact CG2-CB 4.31Å; I967-L989 HydrophobicContact CG2-CD2 4.47Å; I969-L989 HydrophobicContact CB-CD2 4.46Å; I969-L989 HydrophobicContact CG1-CD2 3.87Å; L989-I1006 HydrophobicContact CD1-CD1 3.99Å; L989-I1006 HydrophobicContact CD1-CG1 4.41Å; L989-I1006 HydrophobicContact CD1-CG2 4.12Å
990	A	87.9	Confident	81.8	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.033	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.5	169.8	0	0	0	0	0	108.8	I967 T968 Y988	I967-A990 WeakPolarHBondContact CA-O 3.41Å; T968-A990 PolarHBondContact N-O 3.19Å; T968-A990 PolarHBondContact O-N 3.49Å; Y988-A990 HydrophobicContact CD2-CB 4.34Å; Y988-A990 HydrophobicContact CE2-CB 4.06Å
991	I	90.3	Very high	82.4	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124	177.7	-52.1	174.9	0	0	0	107.9	E934 E935 L937 A965 A966 I967 V999 A1002 I1006	E934-I991 CarbonylContact C-O 3.59Å; E934-I991 WeakPolarHBondContact CA-O 3.41Å; E935-I991 PolarHBondContact N-O 3.36Å; E935-I991 PolarHBondContact O-N 2.87Å; L937-I991 HydrophobicContact CD1-CD1 3.65Å; L937-I991 HydrophobicContact CG-CD1 4.13Å; A965-I991 HydrophobicContact CB-CG2 3.74Å; A966-I991 WeakPolarHBondContact O-CA 3.47Å; I967-I991 HydrophobicContact CG1-CG1 4.44Å; I967-I991 HydrophobicContact CG1-CG2 4.44Å; I967-I991 HydrophobicContact CG2-CG1 4.46Å; I991-V999 HydrophobicContact CB-CG1 4.29Å; I991-V999 HydrophobicContact CG2-CB 4.33Å; I991-V999 HydrophobicContact CG2-CG1 3.92Å; I991-V999 HydrophobicContact CG2-CG2 4.31Å; I991-A1002 HydrophobicContact CD1-CB 4.09Å; I991-A1002 HydrophobicContact CG2-CB 3.74Å; I991-I1006 HydrophobicContact CD1-CD1 3.7Å; I991-I1006 HydrophobicContact CG1-CD1 4.32Å
992	E	88.3	Confident	83.1	Confident	22 Å²	22	55.4 Å²	55.4	10%	0.103	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.5	-173.1	-52	-178.5	169.1	0	0	110.4	R932 Y933 E934 A966 R970	R932-E992 IonicContact CZ-OE2 3.83Å; R932-E992 IonicContact NH1-OE1 4Å; R932-E992 IonicContact NH1-OE2 3.99Å; R932-E992 PolarHBondContact NH1-OE2 2.65Å; R932-E992 IonicContact NH2-OE2 3.81Å; R932-E992 PolarHBondContact NH2-OE2 3.29Å; Y933-E992 WeakPolarHBondContact O-CA 3.49Å; E934-E992 HydrophobicContact CG-CB 4.43Å; E934-E992 HydrophobicContact CG-CG 4.15Å; A966-E992 PolarHBondContact N-O 2.84Å; A966-E992 PolarHBondContact O-N 3.39Å; R970-E992 IonicContact CZ-OE1 3.71Å; R970-E992 IonicContact NH1-OE1 3.17Å; R970-E992 PolarHBondContact NH1-OE1 3.49Å; R970-E992 IonicContact NH2-OE1 2.76Å; R970-E992 PolarHBondContact NH2-OE1 3Å; R970-E992 IonicContact NH2-OE2 2.73Å
993	S	89.3	Confident	84.6	Confident	18 Å²	18	47.9 Å²	47.9	13%	0.126	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.6	175.6	-168	0	0	0	0	112.5	Y933 E964 N995 A998	Y933-S993 PolarHBondContact N-O 2.88Å; Y933-S993 PolarHBondContact O-N 2.99Å; E964-S993 PolarHBondContact O-OG 3.08Å; E964-S993 VanDerWaalsContact O-OG 3.11Å; S993-N995 VanDerWaalsContact C-N 3.34Å; S993-N995 PolarHBondContact OG-N 3.38Å; S993-A998 WeakPolarHBondContact OG-CB 3.34Å
994	A	82.4	Confident	85.4	Confident	77 Å²	77	46.9 Å²	46.9	64%	0.636	24%	0.243	S	C	*	.	S	Bend	trans	-83.6	-10.3	172.2	0	0	0	0	0	113
995	N	84.5	Confident	86	Confident	84 Å²	84	44.1 Å²	44.1	45%	0.449	23%	0.23	S	C	.	.			trans	-121.3	127.8	-179.7	-175.2	-9.8	0	0	0	110.3	S993 L997 A998 V999	S993-N995 VanDerWaalsContact C-N 3.34Å; S993-N995 PolarHBondContact OG-N 3.38Å; N995-L997 VanDerWaalsContact C-N 3.27Å; N995-L997 PolarHBondContact O-N 3.01Å; N995-L997 WeakPolarHBondContact OD1-CB 3.28Å; N995-L997 PolarHBondContact OD1-N 3.47Å; N995-A998 HydrophobicContact CB-CB 4.15Å; N995-A998 WeakPolarHBondContact O-CB 3.49Å; N995-A998 PolarHBondContact O-N 3.22Å; N995-V999 PolarHBondContact O-N 3.3Å
996	E	82.6	Confident	86.4	Confident	57 Å²	57	38.8 Å²	38.8	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-37.4	176.2	-179.1	165.1	160.6	0	0	112.4	K825 Y933 A998 V999 Q1000	K825-E996 IonicContact NZ-OE1 3.94Å; K825-E996 PolarHBondContact NZ-OE1 3.19Å; K825-E996 IonicContact NZ-OE2 2.68Å; K825-E996 PolarHBondContact NZ-OE2 3.05Å; Y933-E996 HydrophobicContact CD1-CB 3.81Å; Y933-E996 HydrophobicContact CD1-CG 4.28Å; Y933-E996 HydrophobicContact CD2-CB 4.43Å; Y933-E996 HydrophobicContact CE1-CB 3.79Å; Y933-E996 HydrophobicContact CE1-CG 4.43Å; Y933-E996 WeakPolarHBondContact CE1-OE2 3.36Å; Y933-E996 HydrophobicContact CE2-CB 4.43Å; Y933-E996 HydrophobicContact CG-CB 4.14Å; E996-A998 PolarHBondContact O-N 3.31Å; E996-V999 PolarHBondContact O-N 3.32Å; E996-V999 VanDerWaalsContact O-N 3.17Å; E996-Q1000 HydrophobicContact CG-CG 4.34Å; E996-Q1000 WeakPolarHBondContact O-CG 3.4Å; E996-Q1000 PolarHBondContact O-N 3.28Å; E996-Q1000 PolarHBondContact OE1-NE2 2.82Å
997	L	83.1	Confident	86.5	Confident	95 Å²	95	38 Å²	38	50%	0.497	21%	0.21	S	C	.	.	H	α-helix	trans	-63.8	-31.1	-179.9	-161.2	94	0	0	0	111.9	N995 K1001	N995-L997 VanDerWaalsContact C-N 3.27Å; N995-L997 PolarHBondContact O-N 3.01Å; N995-L997 WeakPolarHBondContact OD1-CB 3.28Å; N995-L997 PolarHBondContact OD1-N 3.47Å; L997-K1001 WeakPolarHBondContact O-CG 3.3Å; L997-K1001 PolarHBondContact O-N 3.05Å
998	A	87.4	Confident	86.4	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-45	174.7	0	0	0	0	0	111.3	S963 A965 S993 N995 E996 Q1000 K1001 A1002	S963-A998 VanDerWaalsContact O-CA 3.29Å; S963-A998 WeakPolarHBondContact O-CA 3.43Å; S963-A998 WeakPolarHBondContact O-CB 3.28Å; A965-A998 HydrophobicContact CB-CB 4.44Å; S993-A998 WeakPolarHBondContact OG-CB 3.34Å; N995-A998 HydrophobicContact CB-CB 4.15Å; N995-A998 WeakPolarHBondContact O-CB 3.49Å; N995-A998 PolarHBondContact O-N 3.22Å; E996-A998 PolarHBondContact O-N 3.31Å; A998-Q1000 PolarHBondContact O-N 2.88Å; A998-K1001 PolarHBondContact O-N 2.7Å; A998-A1002 PolarHBondContact O-N 3.21Å
999	V	84.9	Confident	86.4	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-43	176.4	-177.3	0	0	0	0	111.1	E935 I991 N995 E996 A1002 K1003	E935-V999 HydrophobicContact CB-CG1 3.67Å; I991-V999 HydrophobicContact CB-CG1 4.29Å; I991-V999 HydrophobicContact CG2-CB 4.33Å; I991-V999 HydrophobicContact CG2-CG1 3.92Å; I991-V999 HydrophobicContact CG2-CG2 4.31Å; N995-V999 PolarHBondContact O-N 3.3Å; E996-V999 PolarHBondContact O-N 3.32Å; E996-V999 VanDerWaalsContact O-N 3.17Å; V999-A1002 PolarHBondContact O-N 2.99Å; V999-K1003 PolarHBondContact O-N 3.15Å
1000	Q	84.3	Confident	86.2	Confident	102 Å²	102	41.3 Å²	41.3	48%	0.477	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-42.4	176.4	-67.9	-176.7	10.3	0	0	112.5	E996 A998 K1003 A1004	E996-Q1000 HydrophobicContact CG-CG 4.34Å; E996-Q1000 WeakPolarHBondContact O-CG 3.4Å; E996-Q1000 PolarHBondContact O-N 3.28Å; E996-Q1000 PolarHBondContact OE1-NE2 2.82Å; A998-Q1000 PolarHBondContact O-N 2.88Å; Q1000-K1003 PolarHBondContact O-N 3.38Å; Q1000-A1004 PolarHBondContact O-N 2.96Å
1001	K	87	Confident	86	Confident	87 Å²	87	43 Å²	43	38%	0.378	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-45.3	173.2	-77.8	175.2	176.5	-176.2	0	112.3	L997 A998 A1004 E1005	L997-K1001 WeakPolarHBondContact O-CG 3.3Å; L997-K1001 PolarHBondContact O-N 3.05Å; A998-K1001 PolarHBondContact O-N 2.7Å; K1001-A1004 PolarHBondContact O-N 3.35Å; K1001-E1005 PolarHBondContact O-N 3.03Å; K1001-E1005 VanDerWaalsContact O-N 3.15Å
1002	A	87.1	Confident	85.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-45.5	178.1	0	0	0	0	0	111.5	I959 A965 I967 I991 A998 V999 E1005 I1006	I959-A1002 HydrophobicContact CG2-CB 4.28Å; A965-A1002 HydrophobicContact CB-CB 4.06Å; I967-A1002 HydrophobicContact CD1-CB 4.3Å; I991-A1002 HydrophobicContact CD1-CB 4.09Å; I991-A1002 HydrophobicContact CG2-CB 3.74Å; A998-A1002 PolarHBondContact O-N 3.21Å; V999-A1002 PolarHBondContact O-N 2.99Å; A1002-E1005 PolarHBondContact O-N 2.73Å; A1002-I1006 WeakPolarHBondContact O-CD1 3.2Å; A1002-I1006 VanDerWaalsContact O-CG1 3.25Å; A1002-I1006 WeakPolarHBondContact O-CG1 3.2Å; A1002-I1006 PolarHBondContact O-N 3.39Å
1003	K	88.1	Confident	85.4	Confident	52 Å²	52	46.1 Å²	46.1	23%	0.226	24%	0.243	C	C	.	.	H	α-helix	trans	-58.4	-48.5	175.5	-177.1	174.5	-170.1	169.7	0	111.7	S823 E935 L937 V999 Q1000 E1005 I1006 T1007	S823-K1003 PolarHBondContact OG-NZ 3.16Å; E935-K1003 WeakPolarHBondContact OE1-CD 3.35Å; E935-K1003 WeakPolarHBondContact OE1-CE 3.38Å; E935-K1003 IonicContact OE1-NZ 2.68Å; E935-K1003 PolarHBondContact OE1-NZ 3.43Å; L937-K1003 HydrophobicContact CD1-CB 4.38Å; L937-K1003 HydrophobicContact CD1-CG 4.04Å; L937-K1003 HydrophobicContact CD2-CD 4.16Å; L937-K1003 HydrophobicContact CD2-CG 4.28Å; V999-K1003 PolarHBondContact O-N 3.15Å; Q1000-K1003 PolarHBondContact O-N 3.38Å; K1003-E1005 PolarHBondContact O-N 2.82Å; K1003-I1006 PolarHBondContact O-N 2.67Å; K1003-T1007 PolarHBondContact O-N 2.96Å; K1003-T1007 PolarHBondContact O-OG1 3.4Å; K1003-T1007 VanDerWaalsContact O-OG1 3.06Å
1004	A	84.5	Confident	84.9	Confident	61 Å²	61	46.3 Å²	46.3	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-59.3	-43.7	-179	0	0	0	0	0	112.9	Q1000 K1001 T1007 R1008	Q1000-A1004 PolarHBondContact O-N 2.96Å; K1001-A1004 PolarHBondContact O-N 3.35Å; A1004-T1007 WeakPolarHBondContact O-CB 3.23Å; A1004-T1007 PolarHBondContact O-N 3.13Å; A1004-R1008 PolarHBondContact O-N 3.35Å
1005	E	87.1	Confident	84.6	Confident	45 Å²	45	45.2 Å²	45.2	21%	0.21	23%	0.225	C	C	.	.	H	α-helix	trans	-73.5	-32.5	179.4	-175.7	59.5	-165.9	0	0	112.6	I959 Y962 K1001 A1002 K1003 R1008 L1009	I959-E1005 HydrophobicContact CG1-CG 4.06Å; I959-E1005 HydrophobicContact CG2-CB 4.36Å; Y962-E1005 HydrophobicContact CD1-CB 4.5Å; K1001-E1005 PolarHBondContact O-N 3.03Å; K1001-E1005 VanDerWaalsContact O-N 3.15Å; A1002-E1005 PolarHBondContact O-N 2.73Å; K1003-E1005 PolarHBondContact O-N 2.82Å; E1005-R1008 VanDerWaalsContact CD-NE 3.34Å; E1005-R1008 PolarHBondContact O-N 3.29Å; E1005-R1008 IonicContact OE1-CZ 2.74Å; E1005-R1008 IonicContact OE1-NE 2.66Å; E1005-R1008 PolarHBondContact OE1-NE 3.04Å; E1005-R1008 VanDerWaalsContact OE1-NE 3.15Å; E1005-R1008 IonicContact OE1-NH2 2.65Å; E1005-R1008 PolarHBondContact OE1-NH2 3.3Å; E1005-R1008 WeakPolarHBondContact OE2-CD 3.35Å; E1005-R1008 IonicContact OE2-CZ 2.89Å; E1005-R1008 IonicContact OE2-NE 2.7Å; E1005-R1008 PolarHBondContact OE2-NE 3.5Å; E1005-R1008 IonicContact OE2-NH2 3.54Å; E1005-L1009 HydrophobicContact CG-CD1 4.39Å; E1005-L1009 WeakPolarHBondContact O-CG 3.38Å; E1005-L1009 PolarHBondContact O-N 2.99Å
1006	I	87.6	Confident	84.2	Confident	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-47.6	169.6	-69.9	162.3	0	0	0	110.4	F821 L937 V950 I959 I967 L989 I991 A1002 K1003 R1008 L1009 I1010	F821-I1006 HydrophobicContact CZ-CG2 4.25Å; L937-I1006 HydrophobicContact CD1-CD1 4.17Å; L937-I1006 HydrophobicContact CD1-CG2 4.3Å; V950-I1006 HydrophobicContact CG1-CG2 4.29Å; I959-I1006 HydrophobicContact CD1-CG1 3.93Å; I959-I1006 HydrophobicContact CG2-CG1 4.3Å; I967-I1006 HydrophobicContact CD1-CD1 4.39Å; L989-I1006 HydrophobicContact CD1-CD1 3.99Å; L989-I1006 HydrophobicContact CD1-CG1 4.41Å; L989-I1006 HydrophobicContact CD1-CG2 4.12Å; I991-I1006 HydrophobicContact CD1-CD1 3.7Å; I991-I1006 HydrophobicContact CG1-CD1 4.32Å; A1002-I1006 WeakPolarHBondContact O-CD1 3.2Å; A1002-I1006 VanDerWaalsContact O-CG1 3.25Å; A1002-I1006 WeakPolarHBondContact O-CG1 3.2Å; A1002-I1006 PolarHBondContact O-N 3.39Å; K1003-I1006 PolarHBondContact O-N 2.67Å; I1006-R1008 VanDerWaalsContact C-N 3.34Å; I1006-R1008 PolarHBondContact O-N 3.47Å; I1006-L1009 PolarHBondContact O-N 3.39Å; I1006-I1010 HydrophobicContact CG2-CD1 4.49Å; I1006-I1010 PolarHBondContact O-N 2.89Å; I1006-I1010 VanDerWaalsContact O-N 3.07Å
1007	T	85.5	Confident	83.8	Confident	32 Å²	32	48.9 Å²	48.9	20%	0.196	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-47.1	174.8	-61.9	0	0	0	0	111.1	I817 F821 K1003 A1004 L1009 I1010 K1011	I817-T1007 HydrophobicContact CG2-CG2 3.91Å; F821-T1007 HydrophobicContact CE2-CG2 4.36Å; F821-T1007 WeakPolarHBondContact CE2-OG1 3.25Å; K1003-T1007 PolarHBondContact O-N 2.96Å; K1003-T1007 PolarHBondContact O-OG1 3.4Å; K1003-T1007 VanDerWaalsContact O-OG1 3.06Å; A1004-T1007 WeakPolarHBondContact O-CB 3.23Å; A1004-T1007 PolarHBondContact O-N 3.13Å; T1007-L1009 PolarHBondContact O-N 3.07Å; T1007-I1010 PolarHBondContact O-N 3.46Å; T1007-K1011 PolarHBondContact O-N 3.47Å
1008	R	87.1	Confident	83	Confident	107 Å²	107	49.6 Å²	49.6	40%	0.404	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-44.2	178.9	-162.4	-164.2	66	66.3	4.1	112.2	A1004 E1005 I1006 K1011 E1012	A1004-R1008 PolarHBondContact O-N 3.35Å; E1005-R1008 VanDerWaalsContact CD-NE 3.34Å; E1005-R1008 PolarHBondContact O-N 3.29Å; E1005-R1008 IonicContact OE1-CZ 2.74Å; E1005-R1008 IonicContact OE1-NE 2.66Å; E1005-R1008 PolarHBondContact OE1-NE 3.04Å; E1005-R1008 VanDerWaalsContact OE1-NE 3.15Å; E1005-R1008 IonicContact OE1-NH2 2.65Å; E1005-R1008 PolarHBondContact OE1-NH2 3.3Å; E1005-R1008 WeakPolarHBondContact OE2-CD 3.35Å; E1005-R1008 IonicContact OE2-CZ 2.89Å; E1005-R1008 IonicContact OE2-NE 2.7Å; E1005-R1008 PolarHBondContact OE2-NE 3.5Å; E1005-R1008 IonicContact OE2-NH2 3.54Å; I1006-R1008 VanDerWaalsContact C-N 3.34Å; I1006-R1008 PolarHBondContact O-N 3.47Å; R1008-K1011 PolarHBondContact O-N 3.38Å; R1008-E1012 IonicContact CZ-OE2 2.7Å; R1008-E1012 IonicContact NH1-OE2 2.66Å; R1008-E1012 PolarHBondContact NH1-OE2 3.06Å; R1008-E1012 IonicContact NH2-OE2 3.93Å; R1008-E1012 WeakPolarHBondContact O-CB 3.5Å; R1008-E1012 PolarHBondContact O-N 2.97Å
1009	L	86.5	Confident	82	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-31.2	179.1	-73.4	167.7	0	0	0	113.3	V950 A955 I959 E1005 I1006 T1007 E1013	V950-L1009 HydrophobicContact CG1-CB 3.99Å; A955-L1009 HydrophobicContact CB-CD1 4.47Å; I959-L1009 HydrophobicContact CD1-CD1 3.76Å; I959-L1009 HydrophobicContact CG1-CD1 4Å; E1005-L1009 HydrophobicContact CG-CD1 4.39Å; E1005-L1009 WeakPolarHBondContact O-CG 3.38Å; E1005-L1009 PolarHBondContact O-N 2.99Å; I1006-L1009 PolarHBondContact O-N 3.39Å; T1007-L1009 PolarHBondContact O-N 3.07Å; L1009-E1013 PolarHBondContact O-N 3.27Å
1010	I	85.7	Confident	80.7	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.1	-46	170.9	-68.5	-174.6	0	0	0	110.4	I817 F821 F942 A946 V950 I1006 T1007 E1012 E1013 L1014	I817-I1010 HydrophobicContact CD1-CG2 4.37Å; I817-I1010 HydrophobicContact CG1-CG2 4.37Å; F821-I1010 HydrophobicContact CE1-CD1 4.37Å; F821-I1010 HydrophobicContact CZ-CD1 3.81Å; F942-I1010 HydrophobicContact CD1-CD1 4.34Å; F942-I1010 HydrophobicContact CD1-CG2 3.6Å; F942-I1010 HydrophobicContact CD2-CD1 4.1Å; F942-I1010 HydrophobicContact CE1-CD1 4.3Å; F942-I1010 HydrophobicContact CE1-CG2 3.63Å; F942-I1010 HydrophobicContact CE2-CD1 4.07Å; F942-I1010 HydrophobicContact CG-CD1 4.24Å; F942-I1010 HydrophobicContact CG-CG2 4.37Å; F942-I1010 HydrophobicContact CZ-CD1 4.17Å; F942-I1010 HydrophobicContact CZ-CG2 4.41Å; A946-I1010 HydrophobicContact CB-CG2 4.46Å; V950-I1010 HydrophobicContact CG1-CD1 4.34Å; V950-I1010 HydrophobicContact CG1-CG1 3.66Å; V950-I1010 HydrophobicContact CG2-CD1 4.49Å; I1006-I1010 HydrophobicContact CG2-CD1 4.49Å; I1006-I1010 PolarHBondContact O-N 2.89Å; I1006-I1010 VanDerWaalsContact O-N 3.07Å; T1007-I1010 PolarHBondContact O-N 3.46Å; I1010-E1012 VanDerWaalsContact C-N 3.35Å; I1010-E1012 PolarHBondContact O-N 3.32Å; I1010-E1013 PolarHBondContact O-N 3.47Å; I1010-L1014 HydrophobicContact CG2-CD1 3.71Å; I1010-L1014 HydrophobicContact CG2-CG 4.13Å; I1010-L1014 WeakPolarHBondContact O-CB 3.35Å; I1010-L1014 WeakPolarHBondContact O-CG 3.29Å; I1010-L1014 PolarHBondContact O-N 2.82Å
1011	K	82.1	Confident	78.7	Confident	38 Å²	38	62.8 Å²	62.8	17%	0.165	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-47.4	177.1	-168.9	-179.5	-165.1	170.3	0	112	A810 I813 D814 I817 T1007 R1008 E1013 L1014 I1015	A810-K1011 VanDerWaalsContact O-CE 3.28Å; A810-K1011 WeakPolarHBondContact O-CE 3.44Å; A810-K1011 PolarHBondContact O-NZ 2.98Å; I813-K1011 HydrophobicContact CG2-CG 3.97Å; D814-K1011 VanDerWaalsContact OD1-CD 3.22Å; D814-K1011 WeakPolarHBondContact OD1-CD 3.34Å; D814-K1011 WeakPolarHBondContact OD1-CE 3.17Å; D814-K1011 IonicContact OD1-NZ 2.7Å; D814-K1011 PolarHBondContact OD1-NZ 2.85Å; D814-K1011 IonicContact OD2-NZ 2.77Å; D814-K1011 PolarHBondContact OD2-NZ 3.23Å; I817-K1011 HydrophobicContact CD1-CB 3.67Å; I817-K1011 HydrophobicContact CD1-CG 4.03Å; T1007-K1011 PolarHBondContact O-N 3.47Å; R1008-K1011 PolarHBondContact O-N 3.38Å; K1011-E1013 VanDerWaalsContact C-N 3.32Å; K1011-E1013 PolarHBondContact O-N 3.06Å; K1011-L1014 PolarHBondContact O-N 3.45Å; K1011-I1015 HydrophobicContact CD-CD1 4.34Å; K1011-I1015 HydrophobicContact CG-CD1 3.83Å; K1011-I1015 HydrophobicContact CG-CG1 4.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; K1011-I1015 PolarHBondContact O-N 3.25Å
1012	E	83.3	Confident	76.4	Confident	80 Å²	80	66.7 Å²	66.7	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-55.4	-44.5	177.9	-170.7	-167.8	107.9	0	0	112	K949 R1008 I1010 R1016	K949-E1012 IonicContact NZ-OE1 2.7Å; K949-E1012 PolarHBondContact NZ-OE1 2.98Å; R1008-E1012 IonicContact CZ-OE2 2.7Å; R1008-E1012 IonicContact NH1-OE2 2.66Å; R1008-E1012 PolarHBondContact NH1-OE2 3.06Å; R1008-E1012 IonicContact NH2-OE2 3.93Å; R1008-E1012 WeakPolarHBondContact O-CB 3.5Å; R1008-E1012 PolarHBondContact O-N 2.97Å; I1010-E1012 VanDerWaalsContact C-N 3.35Å; I1010-E1012 PolarHBondContact O-N 3.32Å; E1012-R1016 WeakPolarHBondContact O-CB 3.28Å; E1012-R1016 PolarHBondContact O-N 2.89Å; E1012-R1016 VanDerWaalsContact O-N 3.13Å
1013	E	82.5	Confident	74.2	Confident	8 Å²	8	72.7 Å²	72.7	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-79.2	-29.1	-179.3	-159.1	66.6	-136.3	0	0	112.9	A946 K949 L1009 I1010 K1011 R1016 L1017	A946-E1013 HydrophobicContact CB-CB 4.29Å; A946-E1013 HydrophobicContact CB-CG 4.43Å; K949-E1013 HydrophobicContact CB-CG 4.48Å; K949-E1013 IonicContact NZ-OE2 2.7Å; K949-E1013 PolarHBondContact NZ-OE2 3.2Å; L1009-E1013 PolarHBondContact O-N 3.27Å; I1010-E1013 PolarHBondContact O-N 3.47Å; K1011-E1013 VanDerWaalsContact C-N 3.32Å; K1011-E1013 PolarHBondContact O-N 3.06Å; E1013-R1016 PolarHBondContact O-N 2.69Å; E1013-R1016 IonicContact OE1-CZ 3.93Å; E1013-R1016 IonicContact OE1-NE 2.77Å; E1013-R1016 PolarHBondContact OE1-NE 3.35Å; E1013-R1016 IonicContact OE1-NH2 3.52Å; E1013-R1016 PolarHBondContact OE1-NH2 2.79Å; E1013-R1016 IonicContact OE2-NE 2.68Å; E1013-R1016 IonicContact OE2-NH2 3.78Å; E1013-L1017 WeakPolarHBondContact O-CG 3.45Å; E1013-L1017 PolarHBondContact O-N 3.05Å
1014	L	79.9	Confident	71.5	Confident	22 Å²	22	75.7 Å²	75.7	12%	0.115	38%	0.382	C	S	.	.	H	α-helix	trans	-68.3	-47.5	173	-75.5	176.4	0	0	0	112	I817 F942 P943 I1010 K1011 R1016 L1017 Q1018	I817-L1014 HydrophobicContact CD1-CD1 3.91Å; I817-L1014 HydrophobicContact CG1-CD1 3.73Å; F942-L1014 HydrophobicContact CD1-CD1 4.45Å; P943-L1014 HydrophobicContact CG-CD2 3.74Å; I1010-L1014 HydrophobicContact CG2-CD1 3.71Å; I1010-L1014 HydrophobicContact CG2-CG 4.13Å; I1010-L1014 WeakPolarHBondContact O-CB 3.35Å; I1010-L1014 WeakPolarHBondContact O-CG 3.29Å; I1010-L1014 PolarHBondContact O-N 2.82Å; K1011-L1014 PolarHBondContact O-N 3.45Å; L1014-R1016 VanDerWaalsContact C-N 3.25Å; L1014-R1016 PolarHBondContact O-N 3.32Å; L1014-L1017 HydrophobicContact CD2-CD1 4.43Å; L1014-L1017 WeakPolarHBondContact O-CB 3.3Å; L1014-L1017 PolarHBondContact O-N 3.04Å; L1014-L1017 VanDerWaalsContact O-N 3.17Å; L1014-Q1018 PolarHBondContact O-N 3.12Å
1015	I	75.8	Confident	69.1	Low	54 Å²	54	80.6 Å²	80.6	28%	0.277	40%	0.399	S	S	.	.	H	α-helix	trans	-58.6	-41.8	173	-67.6	170.5	0	0	0	109.8	I813 K1011 L1017 Q1018 N1019	I813-I1015 HydrophobicContact CD1-CG1 3.71Å; K1011-I1015 HydrophobicContact CD-CD1 4.34Å; K1011-I1015 HydrophobicContact CG-CD1 3.83Å; K1011-I1015 HydrophobicContact CG-CG1 4.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.43Å; K1011-I1015 PolarHBondContact O-N 3.25Å; I1015-L1017 PolarHBondContact O-N 2.88Å; I1015-Q1018 PolarHBondContact O-N 3.16Å; I1015-N1019 WeakPolarHBondContact O-CB 2.98Å; I1015-N1019 PolarHBondContact O-N 3.35Å
1016	R	77	Confident	66.7	Low	163 Å²	163	87.5 Å²	87.5	62%	0.615	43%	0.429	S	S	*	.	H	α-helix	trans	-63.5	-38.1	177.3	-161	174.3	82	122.5	1.8	112.9	E1012 E1013 L1014 S1020	E1012-R1016 WeakPolarHBondContact O-CB 3.28Å; E1012-R1016 PolarHBondContact O-N 2.89Å; E1012-R1016 VanDerWaalsContact O-N 3.13Å; E1013-R1016 PolarHBondContact O-N 2.69Å; E1013-R1016 IonicContact OE1-CZ 3.93Å; E1013-R1016 IonicContact OE1-NE 2.77Å; E1013-R1016 PolarHBondContact OE1-NE 3.35Å; E1013-R1016 IonicContact OE1-NH2 3.52Å; E1013-R1016 PolarHBondContact OE1-NH2 2.79Å; E1013-R1016 IonicContact OE2-NE 2.68Å; E1013-R1016 IonicContact OE2-NH2 3.78Å; L1014-R1016 VanDerWaalsContact C-N 3.25Å; L1014-R1016 PolarHBondContact O-N 3.32Å; R1016-S1020 VanDerWaalsContact O-CB 3.26Å; R1016-S1020 WeakPolarHBondContact O-CB 3.34Å; R1016-S1020 PolarHBondContact O-N 2.84Å; R1016-S1020 VanDerWaalsContact O-N 3.12Å; R1016-S1020 PolarHBondContact O-OG 2.98Å
1017	L	73.5	Confident	64	Low	56 Å²	56	90.8 Å²	90.8	29%	0.293	46%	0.462	S	S	.	.	H	α-helix	trans	-63.2	-48.7	172.2	-76.1	173.5	0	0	0	111.4	P943 T945 E1013 L1014 I1015 N1019 S1020	P943-L1017 HydrophobicContact CB-CD1 3.74Å; P943-L1017 HydrophobicContact CG-CD1 4.04Å; T945-L1017 WeakPolarHBondContact OG1-CD1 3.06Å; E1013-L1017 WeakPolarHBondContact O-CG 3.45Å; E1013-L1017 PolarHBondContact O-N 3.05Å; L1014-L1017 HydrophobicContact CD2-CD1 4.43Å; L1014-L1017 WeakPolarHBondContact O-CB 3.3Å; L1014-L1017 PolarHBondContact O-N 3.04Å; L1014-L1017 VanDerWaalsContact O-N 3.17Å; I1015-L1017 PolarHBondContact O-N 2.88Å; L1017-N1019 VanDerWaalsContact C-N 3.33Å; L1017-N1019 PolarHBondContact O-N 2.88Å; L1017-S1020 PolarHBondContact O-N 2.96Å; L1017-S1020 VanDerWaalsContact O-N 3.09Å; L1017-S1020 PolarHBondContact O-OG 2.59Å
1018	Q	66.5	Low	61.8	Low	109 Å²	109	100.6 Å²	100.6	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-42.6	-178.5	-174.1	163.3	-32	0	0	111.8	L1014 I1015 S1020	L1014-Q1018 PolarHBondContact O-N 3.12Å; I1015-Q1018 PolarHBondContact O-N 3.16Å; Q1018-S1020 VanDerWaalsContact C-N 3.3Å; Q1018-S1020 PolarHBondContact O-N 2.94Å
1019	N	66.5	Low	59.2	Low	111 Å²	111	106.1 Å²	106.1	59%	0.594	52%	0.518	S	S	*	.	H	α-helix	trans	-78.5	-11.4	178.3	-66.8	2.5	0	0	0	113.4	I1015 L1017 Y1021	I1015-N1019 WeakPolarHBondContact O-CB 2.98Å; I1015-N1019 PolarHBondContact O-N 3.35Å; L1017-N1019 VanDerWaalsContact C-N 3.33Å; L1017-N1019 PolarHBondContact O-N 2.88Å; N1019-Y1021 VanDerWaalsContact C-N 3.33Å
1020	S	57.5	Low	56.8	Low	74 Å²	74	115.2 Å²	115.2	52%	0.517	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	1.9	177.1	73.6	0	0	0	0	114.7	R1016 L1017 Q1018 Q1022	R1016-S1020 VanDerWaalsContact O-CB 3.26Å; R1016-S1020 WeakPolarHBondContact O-CB 3.34Å; R1016-S1020 PolarHBondContact O-N 2.84Å; R1016-S1020 VanDerWaalsContact O-N 3.12Å; R1016-S1020 PolarHBondContact O-OG 2.98Å; L1017-S1020 PolarHBondContact O-N 2.96Å; L1017-S1020 VanDerWaalsContact O-N 3.09Å; L1017-S1020 PolarHBondContact O-OG 2.59Å; Q1018-S1020 VanDerWaalsContact C-N 3.3Å; Q1018-S1020 PolarHBondContact O-N 2.94Å; S1020-Q1022 PolarHBondContact O-N 3.16Å
1021	Y	42.6	Very low	54.3	Low	203 Å²	203	121.1 Å²	121.1	80%	0.796	59%	0.593	S	S	*	*			trans	-78.2	53.9	-169.7	-129.4	-86.8	0	0	0	114.7	N1019	N1019-Y1021 VanDerWaalsContact C-N 3.33Å
1022	Q	38.7	Very low	52	Low	168 Å²	168	131 Å²	131	79%	0.785	65%	0.646	S	S	*	*			trans	-64.2	131.7	163.2	-73.4	-171	-11.7	0	0	109.8	S1020 T1024	S1020-Q1022 PolarHBondContact O-N 3.16Å; Q1022-T1024 PolarHBondContact O-N 2.91Å
1023	P	39.4	Very low	50.4	Low	126 Å²	126	133.5 Å²	133.5	82%	0.818	66%	0.659	S	S	*	*			trans	-72.3	93.3	-177.4	28.6	-34.4	0	0	0	111.3	N1025	P1023-N1025 PolarHBondContact O-N 3.35Å
1024	T	32.8	Very low	48.7	Very low	116 Å²	116	140.1 Å²	140.1	71%	0.712	69%	0.692	S	S	*	*			trans	-61.5	119.6	172.9	50.3	0	0	0	0	110.7	Q1022 K1026	Q1022-T1024 PolarHBondContact O-N 2.91Å; T1024-K1026 PolarHBondContact O-N 3.27Å
1025	N	34.3	Very low	47	Very low	164 Å²	164	146.7 Å²	146.7	88%	0.877	72%	0.724	S	S	*	*			trans	-75.1	90.9	-166.9	-151.8	-5.7	0	0	0	111.2	P1023 G1027	P1023-N1025 PolarHBondContact O-N 3.35Å; N1025-G1027 VanDerWaalsContact C-N 3.32Å; N1025-G1027 PolarHBondContact O-N 2.73Å
1026	K	35.7	Very low	45.3	Very low	190 Å²	190	152.1 Å²	152.1	83%	0.826	75%	0.751	S	S	*	*			trans	-75.2	79.4	-179.9	-75.9	-174.1	177.2	176.2	0	111.8	T1024 R1028	T1024-K1026 PolarHBondContact O-N 3.27Å; K1026-R1028 PolarHBondContact O-N 3.19Å
1027	G	31.8	Very low	43.3	Very low	69 Å²	69	151.4 Å²	151.4	71%	0.711	76%	0.759	S	S	*	*			trans	-56	131.5	172.4	0	0	0	0	0	112.4	N1025 Y1029	N1025-G1027 VanDerWaalsContact C-N 3.32Å; N1025-G1027 PolarHBondContact O-N 2.73Å; G1027-Y1029 PolarHBondContact O-N 2.72Å
1028	R	37.8	Very low	41.3	Very low	237 Å²	237	157.8 Å²	157.8	89%	0.894	79%	0.79	S	S	*	*			trans	-80.3	100.7	172.8	-74.5	-179	176	172.7	-1.3	110.4	K1026	K1026-R1028 PolarHBondContact O-N 3.19Å
1029	Y	32.8	Very low	39.5	Very low	224 Å²	224	161.3 Å²	161.3	88%	0.878	81%	0.81	S	S	*	*			trans	-134.2	132.7	149.1	-88.4	-79.7	0	0	0	110.2	G1027	G1027-Y1029 PolarHBondContact O-N 2.72Å
1030	K	37.3	Very low	37.4	Very low	208 Å²	208	165.2 Å²	165.2	90%	0.904	83%	0.827	S	S	*	*			trans	-138.8	99.9	166.6	-166.6	-178.5	-175.6	-173.4	0	107
1031	V	32.3	Very low	35.8	Very low	124 Å²	124	172.8 Å²	172.8	75%	0.752	85%	0.853	S	S	*	*			trans	-106.5	154.1	164.5	-174.4	0	0	0	0	106.1
1032	L	33.4	Very low	35.1	Very low	244 Å²	244	170 Å²	170	100%	1.277	86%	0.858	S	S	*	*			trans	-47.7	0	-166.1	-70.8	161.5	0	0	0	114.4

Retrieved 1,032 of 1,032 residues in 247.3 ms (Link to these results)

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