A0A096MGF2_POEFO Loading...

Isoleucine--tRNA ligase, mitochondrial

Aminoacyl-tRNA synthetase that catalyzes the specific attachment of isoleucine to its cognate tRNA (tRNA(Ile)).

AlphaFold DB , UniProt , Accession A0A096MGF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,074 aa.

						>A0A096MGF2_POEFO|A0A096MGF2
MDEICPNRDTVVVLCAISSGRNIVNQKDETKHDNTLTKLSSKPTQTRSVFSFYFILSSELPRLSMLLTRVSPVYQTLARWGRRSQRGGGLLLSRAVGCSSSRCHGVSPGEGSAQPAEAGSAHAMYRDTVLLPRTEFPMKLTGQKLLDRELQIQQECGFAELYSWQRERKATKKFCLHDGPPYANGDPHVGHALNKILKDIRNRFEMLRGCQVHYIPGWDCHGLPIELKALGELGTSGLSPLEIRQKAREFAEGAIARQKAAFQRWGVMADWEQCYYTFDGAYEAAQLKVFQEMHGKGLVYQDYKPIFWSPSSRTALAEAELEYNPEHVSRAIYATFPLATLPPKISSEDGLENVSVLVWTTQPWTIPANQAVCYMPNAQYSVVKRADSSQLLLLATERTASLAALLGTELQTVATFTGSQLEGGICKHPTIPDKQVPLLPASHVTMGKGTGLVHTAPAHGMDDYSVASQFKLPVECMVDEDGRFTEVAGPKLQNLLVMTEGTDAVISMLNESGALVLEEQCVHSYLYDWRTKQPVVIRPSKQWFINTASLKDKAKEALQKVRVLPESARGSLLTMLDRRTYWCISRQRSWGVPIPVFYHKESGEPLINKYTIAHIAKLFKENGSDCWWELPIEALLPPEVLKKSKAGPVSDYVRGEDVLDIWFDSGASWAAVLEESDPRADAYVEGKDQLGGWFQSSLLTSVAVRNKAPYKALVVHGFAVSEKGEKMSKSLGNVVDPDEIINGKEDGSVPAYGADVLRWWVAESNVFSEVQIGPSALNSALDSISKLRNSLRFLLSNLQGFDQRTQAVEPQQMYYIDQYMLHLLREYSMKVTDAYSEFDAGRVIRILQAFISRDLSSFYFSVIKDRLYCSPEDSLGRRSCQTALEEILDGVTRSVAPILPHLAEEVYLHAPGHDKAETLFKSGWIKSSSVWRRPGLEEAVEGACAIRDSFLSLIPGKHASKYDLTIAIEPGLLFELMESLQEEPTSSDSQLAELMMAARVNLTSKLPRDLHPDALLSHGTFLINLEGGVIREDSPYSIAVMPTSAARCPRCRRYTSESADCLCPRCQTVVSHAG
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	27	Very low	221 Å²	221	151 Å²	151	100%	1.089	79%	0.794	S	S	*	*				0	103.2	0	-73.3	179.1	173.7	0	0	110.4
2	D	25.8	Very low	27	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	80%	0.798	S	S	*	*			cis	177.3	119.8	-43.8	-82.2	-28.2	0	0	0	106.6
3	E	25.6	Very low	26.7	Very low	188 Å²	188	147.6 Å²	147.6	88%	0.879	79%	0.792	S	S	*	*			trans	61.7	162.8	163.9	-52.7	-168.5	137	0	0	115.4
4	I	26.7	Very low	26.6	Very low	161 Å²	161	148.6 Å²	148.6	83%	0.826	80%	0.795	S	S	*	*			cis	-132.7	149	21.2	-69.8	167.2	0	0	0	110.6
5	C	25.4	Very low	26.4	Very low	97 Å²	97	147.2 Å²	147.2	66%	0.655	80%	0.8	S	S	*	*			trans	-104.9	161.6	172.3	-165	0	0	0	0	110.8
6	P	36.8	Very low	26.5	Very low	121 Å²	121	143.4 Å²	143.4	79%	0.786	80%	0.795	S	S	*	*				-145.9	147.5	110.4	35.6	-19.8	0	0	0	117.3
7	N	25.7	Very low	26.3	Very low	127 Å²	127	144.8 Å²	144.8	68%	0.679	80%	0.798	S	S	*	*			trans	-29.4	148.4	171.8	-53.9	-2.1	0	0	0	119.8
8	R	25.9	Very low	26.3	Very low	234 Å²	234	142.1 Å²	142.1	88%	0.883	79%	0.791	S	S	*	*				-170.2	110.9	106.9	-100	167.7	178.5	-174.9	3	109.4
9	D	25	Very low	26.4	Very low	117 Å²	117	140.9 Å²	140.9	63%	0.626	79%	0.794	S	S	*	*				106.2	82.7	69	-82.6	0.6	0	0	0	109.6
10	T	26.6	Very low	26.3	Very low	149 Å²	149	137.8 Å²	137.8	91%	0.914	80%	0.795	S	S	*	*			trans	-89.4	107.1	171.1	-53	0	0	0	0	109.2
11	V	24	Very low	26.3	Very low	110 Å²	110	142.7 Å²	142.7	67%	0.667	80%	0.8	S	S	*	*			trans	-125.4	121.7	179.6	-170.8	0	0	0	0	110.7	V13	V11-V13 HydrophobicContact CG1-CG2 3.81Å
12	V	27.1	Very low	26.1	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	79%	0.786	S	S	*	*			trans	-78.4	121.9	169.9	175.6	0	0	0	0	108.7
13	V	22.9	Very low	26.2	Very low	118 Å²	118	139.9 Å²	139.9	72%	0.715	79%	0.788	S	S	*	*			trans	-130.7	122.4	175.4	-175.5	0	0	0	0	110.8	V11	V11-V13 HydrophobicContact CG1-CG2 3.81Å
14	L	25	Very low	26.3	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	78%	0.781	S	S	*	*			trans	-95.6	131.1	164.4	-87.9	159.4	0	0	0	109
15	C	24.2	Very low	26.2	Very low	128 Å²	128	134.8 Å²	134.8	87%	0.865	77%	0.773	S	S	*	*			trans	-170.6	159.2	157.9	-107.3	0	0	0	0	111.8
16	A	26.7	Very low	26.2	Very low	86 Å²	86	137.3 Å²	137.3	71%	0.711	78%	0.775	S	S	*	*			cis	178.4	121.4	-45.1	0	0	0	0	0	110.8
17	I	24.3	Very low	25.7	Very low	167 Å²	167	139.4 Å²	139.4	86%	0.856	77%	0.771	S	S	*	*			trans	-151.9	132.6	162.6	-58.2	-176.1	0	0	0	107.3
18	S	26.2	Very low	25.7	Very low	96 Å²	96	138.9 Å²	138.9	67%	0.671	77%	0.769	S	S	*	*			cis	-161	143.9	-21.9	56.5	0	0	0	0	112.1
19	S	27.2	Very low	25.8	Very low	120 Å²	120	135.7 Å²	135.7	84%	0.839	76%	0.764	S	S	*	*			trans	48	117.3	150.6	61.9	0	0	0	0	121.6
20	G	24.2	Very low	25.8	Very low	79 Å²	79	134.5 Å²	134.5	81%	0.814	76%	0.761	S	S	*	*			trans	-147.6	-2.1	177.3	0	0	0	0	0	120.6
21	R	26.6	Very low	25.8	Very low	240 Å²	240	135.2 Å²	135.2	91%	0.906	75%	0.751	S	S	*	*			trans	60.1	123.6	176.1	-63	-176.4	178.6	-177.2	0.5	119.4
22	N	26.8	Very low	25.9	Very low	150 Å²	150	136.9 Å²	136.9	80%	0.802	75%	0.751	S	S	*	*			trans	8.4	141.6	136.4	-43.6	-9.3	0	0	0	117.8
23	I	26.8	Very low	25.9	Very low	149 Å²	149	135.7 Å²	135.7	76%	0.764	74%	0.74	S	S	*	*				-161.8	124.7	58.4	-78.6	179.9	0	0	0	106.5
24	V	27.2	Very low	26.1	Very low	122 Å²	122	135.9 Å²	135.9	74%	0.739	74%	0.738	S	S	*	*				55.6	129.7	97.4	176.7	0	0	0	0	113
25	N	25.5	Very low	26.2	Very low	120 Å²	120	133.5 Å²	133.5	64%	0.642	73%	0.73	S	S	*	*			cis	-156.5	169.9	25	-143.7	-2.1	0	0	0	114.3
26	Q	25.8	Very low	26.2	Very low	149 Å²	149	134.7 Å²	134.7	70%	0.696	73%	0.727	S	S	*	*			trans	61.9	139.9	149.6	-75.2	160.3	-47.9	0	0	119.1
27	K	25.1	Very low	26.2	Very low	165 Å²	165	136.2 Å²	136.2	72%	0.717	73%	0.727	S	S	*	*			cis	66	141.3	46.7	-71.7	-173.9	127.8	-72.8	0	112.2
28	D	27	Very low	26.3	Very low	116 Å²	116	137.4 Å²	137.4	62%	0.62	73%	0.726	S	S	*	*			cis	-141.3	-171.6	-10.3	-77.9	-48.3	0	0	0	105.9
29	E	27.3	Very low	26.2	Very low	167 Å²	167	141.3 Å²	141.3	78%	0.78	74%	0.739	S	S	*	*			cis	-156.2	-150.1	7.7	-149.8	-164	-139.9	0	0	111.6
30	T	25.6	Very low	26	Very low	92 Å²	92	140.6 Å²	140.6	56%	0.564	73%	0.734	S	S	*	*			trans	-76.4	176.2	173.6	53.3	0	0	0	0	114.6
31	K	26.4	Very low	26	Very low	164 Å²	164	142.7 Å²	142.7	71%	0.713	74%	0.736	S	S	*	*			cis	-168	178.5	0.7	-120.2	162.2	177.5	176.2	0	109.7
32	H	27.1	Very low	25.9	Very low	145 Å²	145	140.9 Å²	140.9	67%	0.671	74%	0.735	S	S	*	*			trans	22.8	146.5	140.9	-62.9	-49.6	0	0	0	121.5
33	D	26.5	Very low	26.6	Very low	115 Å²	115	139.1 Å²	139.1	62%	0.615	73%	0.731	S	S	*	*			cis	-168.5	169.5	-0.6	-123.2	19.3	0	0	0	112.3
34	N	26.1	Very low	26.5	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	73%	0.727	S	S	*	*			trans	69.5	131.4	143.2	-74.3	-38.8	0	0	0	124.4
35	T	26.9	Very low	26.4	Very low	110 Å²	110	139.9 Å²	139.9	68%	0.675	73%	0.731	S	S	*	*			trans	80.2	118.2	137.8	50.1	0	0	0	0	122.6
36	L	25.6	Very low	26.3	Very low	153 Å²	153	140.8 Å²	140.8	80%	0.801	74%	0.741	S	S	*	*				47.5	136.1	120.3	-54.3	170.6	0	0	0	118.7
37	T	26.1	Very low	26.2	Very low	119 Å²	119	144.7 Å²	144.7	73%	0.73	75%	0.75	S	S	*	*			cis	-158.4	167.7	25	-26.8	0	0	0	0	113.2
38	K	26.4	Very low	26	Very low	191 Å²	191	141.9 Å²	141.9	83%	0.83	75%	0.751	S	S	*	*			trans	-30.9	143.1	166.9	-54.7	165.6	179.6	174.5	0	116.5
39	L	23.6	Very low	25.9	Very low	179 Å²	179	141.1 Å²	141.1	94%	0.937	75%	0.75	S	S	*	*				-164.7	171	118.7	-108.5	164.1	0	0	0	111.6
40	S	23.7	Very low	25.7	Very low	105 Å²	105	141.7 Å²	141.7	73%	0.734	75%	0.751	S	S	*	*			trans	-130.2	137	-166.4	62.6	0	0	0	0	114.6
41	S	24.1	Very low	25.6	Very low	123 Å²	123	142.8 Å²	142.8	86%	0.86	76%	0.762	S	S	*	*			trans	-167	144.1	146.7	49.2	0	0	0	0	112.7
42	K	24	Very low	25.6	Very low	201 Å²	201	142.2 Å²	142.2	87%	0.874	76%	0.76	S	S	*	*			trans	-105.9	172.1	161.7	-79.8	-177.5	178.3	179.5	0	107.8
43	P	42.4	Very low	25.5	Very low	113 Å²	113	142.9 Å²	142.9	73%	0.734	76%	0.757	S	S	*	*			cis	-115.2	-146.8	8.1	25.3	0.6	0	0	0	110.5
44	T	24.4	Very low	25.4	Very low	111 Å²	111	144.7 Å²	144.7	68%	0.681	76%	0.76	S	S	*	*			cis	-159.3	157.2	13.3	-28	0	0	0	0	112.2
45	Q	24.5	Very low	25.3	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	76%	0.762	S	S	*	*			trans	30.7	111.8	156.3	-77	176.8	8.9	0	0	120
46	T	24	Very low	25.1	Very low	139 Å²	139	146 Å²	146	85%	0.853	76%	0.761	S	S	*	*				-160.1	171.9	103.3	10	0	0	0	0	112.5
47	R	23.3	Very low	24.9	Very low	231 Å²	231	144.3 Å²	144.3	87%	0.872	76%	0.762	S	S	*	*			trans	-34.4	140	-178.2	-59.7	170.6	172.4	162.9	-3.5	114.9
48	S	21.6	Very low	24.9	Very low	107 Å²	107	144 Å²	144	75%	0.748	77%	0.765	S	S	*	*				63.5	131.4	51.5	-174.1	0	0	0	0	113.4
49	V	23.4	Very low	24.7	Very low	99 Å²	99	143.9 Å²	143.9	60%	0.6	77%	0.767	S	S	*	*			cis	-163.8	147.5	-17.1	135.6	0	0	0	0	103.7
50	F	23.7	Very low	24.7	Very low	180 Å²	180	143.2 Å²	143.2	79%	0.789	76%	0.764	S	S	*	*			trans	-176.2	102.2	137.9	-101.7	-61.7	0	0	0	112.6	F52	F50-F52 HydrophobicContact CD1-CB 4.3Å; F50-F52 HydrophobicContact CE1-CB 4.48Å
51	S	24.2	Very low	25.6	Very low	115 Å²	115	143.3 Å²	143.3	80%	0.804	76%	0.761	S	S	*	*			trans	-127.4	102.3	152.9	-64.8	0	0	0	0	107
52	F	25.6	Very low	25.4	Very low	151 Å²	151	148.9 Å²	148.9	66%	0.662	76%	0.764	S	S	*	*			trans	-169.9	160.2	-179.5	-92.9	-65.7	0	0	0	107.1	F50	F50-F52 HydrophobicContact CD1-CB 4.3Å; F50-F52 HydrophobicContact CE1-CB 4.48Å
53	Y	25.6	Very low	25.3	Very low	159 Å²	159	147.7 Å²	147.7	62%	0.624	77%	0.766	S	S	*	*			cis	-133.9	-172.9	3.7	-101.9	-62.9	0	0	0	107.9
54	F	23.5	Very low	24.2	Very low	154 Å²	154	147.4 Å²	147.4	68%	0.675	77%	0.766	S	S	*	*			cis	-145.5	178.2	7.6	-100.9	-47.8	0	0	0	106.8	L56	F54-L56 HydrophobicContact CE1-CD1 4.44Å
55	I	23.7	Very low	24	Very low	134 Å²	134	150.4 Å²	150.4	69%	0.687	78%	0.775	S	S	*	*			cis	-141.9	132.8	1.1	-127.5	160.6	0	0	0	105.2
56	L	23.9	Very low	23.9	Very low	127 Å²	127	149.6 Å²	149.6	67%	0.665	78%	0.775	S	S	*	*				53.8	142.2	97.2	-52.4	178.7	0	0	0	116	F54	F54-L56 HydrophobicContact CE1-CD1 4.44Å
57	S	21.9	Very low	23.8	Very low	116 Å²	116	150.3 Å²	150.3	81%	0.811	77%	0.773	S	S	*	*			cis	-143.5	150.7	20.9	-55.1	0	0	0	0	114.2
58	S	25.1	Very low	23.7	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	77%	0.768	S	S	*	*			trans	-158.1	116	157.7	62.2	0	0	0	0	111.4
59	E	22.5	Very low	23.7	Very low	187 Å²	187	151.3 Å²	151.3	87%	0.874	77%	0.774	S	S	*	*			trans	-139	118.2	170.1	-74.7	-156.4	150.6	0	0	112.7
60	L	22.7	Very low	23.7	Very low	166 Å²	166	153.1 Å²	153.1	87%	0.869	79%	0.785	S	S	*	*				38.3	158.9	124.5	-67.2	172	0	0	0	122.7
61	P	42.9	Very low	23.6	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	78%	0.783	S	S	*	*			trans	-120.8	158.1	-148.8	41.6	-30.8	0	0	0	116
62	R	20.8	Very low	24.2	Very low	241 Å²	241	149 Å²	149	91%	0.909	78%	0.776	S	S	*	*			trans	172	114.1	136.9	-98.7	167.6	-177.4	-167	2.8	110.9
63	L	20.7	Very low	24	Very low	176 Å²	176	148.5 Å²	148.5	92%	0.921	79%	0.786	S	S	*	*			trans	-162.1	141.4	132.8	-134.9	76.2	0	0	0	110.1
64	S	20.7	Very low	23.8	Very low	106 Å²	106	151 Å²	151	74%	0.741	80%	0.795	S	S	*	*			trans	-136.8	165.4	166	65.2	0	0	0	0	109
65	M	20.6	Very low	23.9	Very low	174 Å²	174	151.7 Å²	151.7	86%	0.857	80%	0.801	S	S	*	*			trans	84.3	151.4	-172	-54.5	-164.8	168.8	0	0	116.5
66	L	21.4	Very low	23.9	Very low	159 Å²	159	150.8 Å²	150.8	83%	0.832	80%	0.801	S	S	*	*			trans	68.1	111.2	178.1	-58.5	165.9	0	0	0	114.2
67	L	21.7	Very low	23.8	Very low	154 Å²	154	151.8 Å²	151.8	81%	0.806	81%	0.807	S	S	*	*			cis	-143	140.2	3.3	-92.2	163.6	0	0	0	112.2
68	T	21.6	Very low	23.8	Very low	123 Å²	123	150.2 Å²	150.2	76%	0.755	80%	0.8	S	S	*	*			trans	-86.4	150.9	161.3	46	0	0	0	0	110.8
69	R	21.9	Very low	23.6	Very low	237 Å²	237	155.3 Å²	155.3	89%	0.894	80%	0.802	S	S	*	*			trans	139.5	136.4	163.6	-83.6	163.1	-171.8	-144.5	1.7	110.1
70	V	22.5	Very low	23.6	Very low	136 Å²	136	158.4 Å²	158.4	82%	0.824	81%	0.806	S	S	*	*			cis	-140	152	0.1	-173.8	0	0	0	0	110.2
71	S	22	Very low	23.6	Very low	106 Å²	106	154 Å²	154	74%	0.741	80%	0.801	S	S	*	*			trans	-146.6	161	154.3	-170.5	0	0	0	0	106.6
72	P	37.6	Very low	22.7	Very low	102 Å²	102	160.6 Å²	160.6	66%	0.662	81%	0.812	S	S	*	*			cis	-127.4	-170.9	-3	42.8	-28	0	0	0	113.4
73	V	21.6	Very low	22.8	Very low	142 Å²	142	160.8 Å²	160.8	86%	0.861	81%	0.813	S	S	*	*			trans	-138.5	145.9	142.8	-179.2	0	0	0	0	108.8
74	Y	21.6	Very low	22.8	Very low	210 Å²	210	157.4 Å²	157.4	82%	0.824	80%	0.804	S	S	*	*			trans	-149.3	158.1	-178.4	-141.8	-79.5	0	0	0	110.1
75	Q	23.9	Very low	23	Very low	170 Å²	170	159.5 Å²	159.5	79%	0.794	80%	0.802	S	S	*	*			trans	69.5	158	178.3	-43.8	-175.7	-0.1	0	0	114.3
76	T	23.4	Very low	23.1	Very low	114 Å²	114	162.1 Å²	162.1	70%	0.699	80%	0.802	S	S	*	*			cis	-144.2	175.7	17.4	55	0	0	0	0	109.1
77	L	22.2	Very low	23.1	Very low	149 Å²	149	158.3 Å²	158.3	78%	0.78	80%	0.802	S	S	*	*			cis	-134.5	154.6	-11.8	-90.5	115.7	0	0	0	104.9
78	A	22.8	Very low	23.1	Very low	82 Å²	82	155 Å²	155	68%	0.678	81%	0.805	S	S	*	*			cis	86	130.2	43.7	0	0	0	0	0	116.9
79	R	21.6	Very low	23.2	Very low	222 Å²	222	152.8 Å²	152.8	84%	0.838	81%	0.806	S	S	*	*			trans	99.2	136.4	159.1	-66	-176.6	168.2	179.6	-2.5	121.7
80	W	22.3	Very low	23.2	Very low	251 Å²	251	149.4 Å²	149.4	95%	0.951	81%	0.805	S	S	*	*			trans	71.3	146.9	160.5	-63.2	6.8	0	0	0	117.3
81	G	22.7	Very low	23.3	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	81%	0.809	S	S	*	*			cis	-167.8	169.7	-1.9	0	0	0	0	0	113.2
82	R	23.1	Very low	23.5	Very low	243 Å²	243	154 Å²	154	92%	0.917	82%	0.815	S	S	*	*			trans	-81.6	137.2	-177.9	-59.3	175	178	176.2	-2.5	112.5
83	R	22	Very low	22.9	Very low	246 Å²	246	154.6 Å²	154.6	93%	0.928	82%	0.822	S	S	*	*				164.4	144.6	121.7	-97	178.2	167.8	176.4	-3.3	116.8
84	S	22.7	Very low	23	Very low	104 Å²	104	159.5 Å²	159.5	73%	0.727	83%	0.825	S	S	*	*			trans	72.3	106.2	132.8	-167.7	0	0	0	0	123.6
85	Q	23.3	Very low	23.1	Very low	150 Å²	150	154 Å²	154	70%	0.701	82%	0.823	S	S	*	*			trans	53.3	140	132.4	-80	-153.8	17.9	0	0	124.6
86	R	22.9	Very low	23.1	Very low	229 Å²	229	152.5 Å²	152.5	86%	0.864	83%	0.825	S	S	*	*			trans	69.6	136.5	152.5	-68.6	169.9	-170.8	-133.8	-1	118.2
87	G	22.1	Very low	23.1	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	83%	0.825	S	S	*	*			trans	168.1	-7.2	151.3	0	0	0	0	0	123.2
88	G	22.1	Very low	23.1	Very low	85 Å²	85	149.8 Å²	149.8	88%	0.876	83%	0.832	S	S	*	*			trans	64	-179.5	171.6	0	0	0	0	0	117.4
89	G	22.1	Very low	23.2	Very low	76 Å²	76	151.1 Å²	151.1	78%	0.784	84%	0.836	S	S	*	*			trans	111.3	117.6	168.3	0	0	0	0	0	116.2
90	L	23.5	Very low	23.4	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	83%	0.833	S	S	*	*			trans	-45.6	148.7	175.1	-71.5	59.2	0	0	0	115.2
91	L	23.8	Very low	23.6	Very low	173 Å²	173	139.6 Å²	139.6	91%	0.906	83%	0.828	S	S	*	*				-162.7	121.4	114.1	-104.3	164.7	0	0	0	110.8
92	L	26	Very low	23.7	Very low	167 Å²	167	146.2 Å²	146.2	87%	0.874	83%	0.83	S	S	*	*			trans	-90.7	134.7	-179.5	-89	161.5	0	0	0	111.5
93	S	25.4	Very low	23.8	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	83%	0.826	S	S	*	*			trans	-73.6	134.5	170.4	45.3	0	0	0	0	111.3	A95	S93-A95 PolarHBondContact O-N 3.31Å
94	R	22.8	Very low	24.1	Very low	244 Å²	244	136.8 Å²	136.8	92%	0.921	82%	0.819	S	S	*	*			trans	-81.4	104	174.2	-85.8	-179.5	163.2	-179.9	-4.6	110.7
95	A	25.1	Very low	24.2	Very low	95 Å²	95	135.7 Å²	135.7	79%	0.785	82%	0.824	S	S	*	*			trans	-98.2	121.6	157.6	0	0	0	0	0	109.1	S93 G97	S93-A95 PolarHBondContact O-N 3.31Å; A95-G97 PolarHBondContact O-N 2.95Å
96	V	23.5	Very low	24.4	Very low	139 Å²	139	135.3 Å²	135.3	84%	0.842	83%	0.832	S	S	*	*			trans	-92.6	89.5	-176.2	-177.9	0	0	0	0	110.1
97	G	22.9	Very low	24.5	Very low	67 Å²	67	129.9 Å²	129.9	69%	0.691	83%	0.828	S	S	*	*			trans	-78.2	125.7	165.9	0	0	0	0	0	110.7	A95 S99	A95-G97 PolarHBondContact O-N 2.95Å; G97-S99 PolarHBondContact O-N 3.09Å
98	C	22.5	Very low	25.3	Very low	138 Å²	138	132.4 Å²	132.4	93%	0.932	83%	0.831	S	S	*	*			trans	-83.4	108.2	177	-158.2	0	0	0	0	109.7
99	S	24.1	Very low	25.5	Very low	110 Å²	110	132 Å²	132	77%	0.769	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.1	138.8	-179.3	51.4	0	0	0	0	112.2	G97	G97-S99 PolarHBondContact O-N 3.09Å
100	S	25.4	Very low	25.8	Very low	111 Å²	111	138 Å²	138	78%	0.776	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.1	139.8	170.7	45.5	0	0	0	0	111	R102	S100-R102 PolarHBondContact O-N 3.13Å
101	S	26.8	Very low	26.3	Very low	121 Å²	121	133.9 Å²	133.9	85%	0.846	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-66.5	123.6	180	34.3	0	0	0	0	111.5
102	R	25.9	Very low	26.5	Very low	213 Å²	213	131.7 Å²	131.7	80%	0.804	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-80.6	136.8	172.8	-65.6	-178.2	179.5	-178.6	0.5	110.4	S100	S100-R102 PolarHBondContact O-N 3.13Å
103	C	25.3	Very low	27.2	Very low	124 Å²	124	128.6 Å²	128.6	84%	0.838	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-88.4	133.4	162.2	-58	0	0	0	0	109.3
104	H	27.7	Very low	27.4	Very low	168 Å²	168	132 Å²	132	78%	0.778	83%	0.833	S	S	*	*			trans	-132.6	164	173.2	-86.1	-0.8	0	0	0	111.1
105	G	24.2	Very low	27.7	Very low	81 Å²	81	126.4 Å²	126.4	84%	0.835	83%	0.828	S	S	*	*			trans	-73.3	171.6	-162.1	0	0	0	0	0	116.6
106	V	28.1	Very low	28.3	Very low	142 Å²	142	126.9 Å²	126.9	86%	0.861	83%	0.832	S	S	*	*			trans	-93.2	141.1	-174.1	177.7	0	0	0	0	111.4
107	S	25.4	Very low	29.2	Very low	114 Å²	114	129 Å²	129	80%	0.797	83%	0.832	S	S	*	*			trans	-155.6	153.2	148.4	-80.7	0	0	0	0	109.4
108	P	39.6	Very low	29.8	Very low	133 Å²	133	129.7 Å²	129.7	86%	0.864	83%	0.832	S	S	*	*			trans	-93	151.6	-158.7	35.4	-36.1	0	0	0	115.1
109	G	25	Very low	30.4	Very low	77 Å²	77	126.1 Å²	126.1	79%	0.794	82%	0.818	S	S	*	*			trans	-164.2	125.1	174.5	0	0	0	0	0	112.4
110	E	28.5	Very low	31.7	Very low	201 Å²	201	125.5 Å²	125.5	94%	0.939	81%	0.814	S	S	*	*			trans	-40.1	133	-172.4	-61.9	169.9	139.5	0	0	119.2
111	G	33.6	Very low	32.9	Very low	79 Å²	79	121.1 Å²	121.1	81%	0.814	79%	0.785	S	S	*	*				84.4	72.2	110.4	0	0	0	0	0	120.3
112	S	28.9	Very low	34.1	Very low	128 Å²	128	120.3 Å²	120.3	90%	0.895	77%	0.767	S	S	*	*			trans	-148.9	143.7	144.7	60	0	0	0	0	111
113	A	40.7	Very low	35.7	Very low	102 Å²	102	113.3 Å²	113.3	84%	0.843	76%	0.755	S	S	*	*			trans	-117.8	112.9	-173.5	0	0	0	0	0	111.5
114	Q	29.1	Very low	38.1	Very low	186 Å²	186	113.4 Å²	113.4	87%	0.869	75%	0.745	S	S	*	*			trans	-142.5	161	166.9	-87.3	-157.4	-11.7	0	0	108.9
115	P	30.1	Very low	40.7	Very low	126 Å²	126	107.1 Å²	107.1	82%	0.818	71%	0.714	S	S	*	*			trans	-72.2	144.7	-143	25.6	-34.7	0	0	0	114.9
116	A	36.6	Very low	43.6	Very low	104 Å²	104	111.2 Å²	111.2	86%	0.86	71%	0.705	S	S	*	*			trans	-94.3	103.4	178.2	0	0	0	0	0	111
117	E	41.9	Very low	46.3	Very low	183 Å²	183	110.9 Å²	110.9	86%	0.855	70%	0.698	S	S	*	*			trans	-150.3	167.9	167.4	-115.7	157.1	-151.4	0	0	110.2	G119	E117-G119 PolarHBondContact O-N 3.11Å
118	A	36.3	Very low	49.3	Very low	82 Å²	82	107.8 Å²	107.8	68%	0.678	67%	0.674	S	S	*	*	S	Bend	trans	60.1	-6.4	-172.5	0	0	0	0	0	118
119	G	35.9	Very low	51.7	Low	63 Å²	63	102.4 Å²	102.4	65%	0.649	64%	0.639	S	S	*	*	S	Bend	trans	-76.4	-27.3	-176.7	0	0	0	0	0	116.7	E117	E117-G119 PolarHBondContact O-N 3.11Å
120	S	50.3	Low	54.9	Low	97 Å²	97	101 Å²	101	68%	0.678	61%	0.613	S	S	*	*	S	Bend	trans	-86.4	-45.5	-166.1	53.2	0	0	0	0	114.8	H122 A123 M124	S120-H122 PolarHBondContact O-N 3.25Å; S120-H122 VanDerWaalsContact O-N 3.16Å; S120-A123 PolarHBondContact O-N 3.13Å; S120-M124 PolarHBondContact O-N 3.22Å
121	A	50.4	Low	57.9	Low	20 Å²	20	95 Å²	95	17%	0.165	59%	0.587	C	S	.	*	H	α-helix	trans	-59.6	-31.2	-173.1	0	0	0	0	0	113.5	A123 M124 Y125	A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 2.72Å; A121-M124 PolarHBondContact O-N 3.13Å; A121-Y125 VanDerWaalsContact O-CD2 3.27Å; A121-Y125 WeakPolarHBondContact O-CD2 3.25Å
122	H	52.3	Low	60.7	Low	104 Å²	104	93.3 Å²	93.3	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-72.5	-22.1	177.1	-74.4	-27.8	0	0	0	114.7	S120	S120-H122 PolarHBondContact O-N 3.25Å; S120-H122 VanDerWaalsContact O-N 3.16Å
123	A	60.2	Low	63.6	Low	66 Å²	66	94.4 Å²	94.4	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-77.9	-43.1	171.1	0	0	0	0	0	110.7	S120 A121 Y125 R126	S120-A123 PolarHBondContact O-N 3.13Å; A121-A123 VanDerWaalsContact C-N 3.35Å; A121-A123 PolarHBondContact O-N 2.72Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.42Å; A123-R126 WeakPolarHBondContact O-CB 3.46Å; A123-R126 PolarHBondContact O-N 3.13Å; A123-R126 VanDerWaalsContact O-N 3.14Å
124	M	74.8	Confident	66.1	Low	126 Å²	126	91.1 Å²	91.1	62%	0.621	52%	0.516	S	S	*	.	H	α-helix	trans	-57.2	-38.2	-170	-166.4	170.2	76.6	0	0	114.7	S120 A121	S120-M124 PolarHBondContact O-N 3.22Å; A121-M124 PolarHBondContact O-N 3.13Å
125	Y	83.7	Confident	69.1	Low	36 Å²	36	90.8 Å²	90.8	14%	0.141	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.5	-177.7	-57.6	-64	0	0	0	114.6	A121 A123 D127 T128 P1049 R1050 L1062	A121-Y125 VanDerWaalsContact O-CD2 3.27Å; A121-Y125 WeakPolarHBondContact O-CD2 3.25Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.42Å; Y125-D127 VanDerWaalsContact C-N 3.32Å; Y125-D127 PolarHBondContact O-N 3.18Å; Y125-T128 PolarHBondContact O-N 3.13Å; Y125-T128 VanDerWaalsContact O-N 3.16Å; Y125-T128 PolarHBondContact O-OG1 3.06Å; Y125-P1049 HydrophobicContact CD2-CB 4.02Å; Y125-P1049 HydrophobicContact CD2-CG 3.96Å; Y125-P1049 HydrophobicContact CE2-CB 4.12Å; Y125-P1049 HydrophobicContact CE2-CG 3.64Å; Y125-R1050 HydrophobicContact CG-CB 4.32Å; Y125-L1062 HydrophobicContact CD1-CD1 4.33Å; Y125-L1062 HydrophobicContact CD1-CD2 4.12Å; Y125-L1062 HydrophobicContact CD2-CD2 4.16Å; Y125-L1062 HydrophobicContact CE1-CD1 3.75Å; Y125-L1062 HydrophobicContact CE1-CD2 3.89Å; Y125-L1062 HydrophobicContact CE1-CG 4.01Å; Y125-L1062 HydrophobicContact CE2-CD2 3.92Å; Y125-L1062 HydrophobicContact CE2-CG 4.48Å; Y125-L1062 HydrophobicContact CG-CD2 4.24Å
126	R	83.4	Confident	72.2	Confident	167 Å²	167	84.8 Å²	84.8	63%	0.63	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-55.5	-45.6	-170.2	178.3	-176.1	174.9	179.4	-3.4	112.9	A123 T128 V129	A123-R126 WeakPolarHBondContact O-CB 3.46Å; A123-R126 PolarHBondContact O-N 3.13Å; A123-R126 VanDerWaalsContact O-N 3.14Å; R126-T128 VanDerWaalsContact C-N 3.27Å; R126-T128 PolarHBondContact O-N 2.97Å; R126-V129 PolarHBondContact O-N 3.33Å
127	D	85	Confident	74.9	Confident	134 Å²	134	82 Å²	82	72%	0.717	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-84.2	-6.3	-171.6	-54.6	-46.8	0	0	0	112.5	Y125 V129	Y125-D127 VanDerWaalsContact C-N 3.32Å; Y125-D127 PolarHBondContact O-N 3.18Å; D127-V129 PolarHBondContact O-N 2.92Å
128	T	88.2	Confident	77.2	Confident	49 Å²	49	79 Å²	79	30%	0.301	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-82.6	3.9	170	75.9	0	0	0	0	113.3	Y125 R126 R1050 V1070	Y125-T128 PolarHBondContact O-N 3.13Å; Y125-T128 VanDerWaalsContact O-N 3.16Å; Y125-T128 PolarHBondContact O-OG1 3.06Å; R126-T128 VanDerWaalsContact C-N 3.27Å; R126-T128 PolarHBondContact O-N 2.97Å; T128-R1050 PolarHBondContact O-NE 2.89Å; T128-R1050 PolarHBondContact O-NH2 3Å; T128-R1050 VanDerWaalsContact OG1-CD 3.29Å; T128-R1050 WeakPolarHBondContact OG1-CD 3.32Å; T128-R1050 PolarHBondContact OG1-NE 3.43Å; T128-V1070 HydrophobicContact CG2-CG2 4.42Å
129	V	91.6	Very high	79.7	Confident	21 Å²	21	80.9 Å²	80.9	13%	0.127	43%	0.428	C	S	.	.	S	Bend	trans	-109.1	129.1	-177.1	179.8	0	0	0	0	109.2	R126 D127 L131 Y868 R1050	R126-V129 PolarHBondContact O-N 3.33Å; D127-V129 PolarHBondContact O-N 2.92Å; V129-L131 HydrophobicContact CB-CG 4.37Å; V129-L131 HydrophobicContact CG1-CD2 3.83Å; V129-L131 HydrophobicContact CG1-CG 4.06Å; V129-L131 PolarHBondContact O-N 3.1Å; V129-Y868 WeakPolarHBondContact CG1-O 3.43Å; V129-R1050 HydrophobicContact CG2-CG 3.94Å
130	L	92.2	Very high	82.2	Confident	46 Å²	46	79.2 Å²	79.2	24%	0.241	40%	0.404	C	S	.	.			trans	-77.8	69	-176.9	-58.2	175.9	0	0	0	110.3	Y868 E872	L130-Y868 PolarHBondContact N-O 3.12Å; L130-Y868 WeakPolarHBondContact O-CD1 3.41Å; L130-E872 HydrophobicContact CD1-CB 3.98Å; L130-E872 HydrophobicContact CD1-CG 4.16Å
131	L	91.1	Very high	84	Confident	77 Å²	77	78.4 Å²	78.4	40%	0.403	40%	0.395	S	S	.	.			trans	-70	140.4	-177.8	-67.3	175.7	0	0	0	111.6	V129	V129-L131 HydrophobicContact CB-CG 4.37Å; V129-L131 HydrophobicContact CG1-CD2 3.83Å; V129-L131 HydrophobicContact CG1-CG 4.06Å; V129-L131 PolarHBondContact O-N 3.1Å
132	P	91.4	Very high	85.9	Confident	42 Å²	42	78.9 Å²	78.9	27%	0.273	40%	0.402	S	S	.	.			trans	-65.6	137.6	-174.8	-19.1	29.7	0	0	0	114.1	S796 Y868	P132-S796 CarbonylContact C-O 3.6Å; P132-S796 WeakPolarHBondContact CA-O 3.45Å; P132-S796 WeakPolarHBondContact CB-O 3.46Å; P132-S796 WeakPolarHBondContact CB-OG 3.49Å; P132-Y868 HydrophobicContact CG-CD1 4.3Å; P132-Y868 HydrophobicContact CG-CE1 3.42Å; P132-Y868 VanDerWaalsContact CG-CE1 3.42Å; P132-Y868 WeakPolarHBondContact CG-OH 3.42Å
133	R	91.4	Very high	87.8	Confident	152 Å²	152	79.7 Å²	79.7	57%	0.574	41%	0.406	S	S	*	.			trans	-141.1	129.6	-173.1	-71.1	169.3	-171.5	-165.9	3.8	110.7	S796 Q799	R133-S796 PolarHBondContact N-O 2.96Å; R133-S796 WeakPolarHBondContact O-CA 3.2Å; R133-Q799 VanDerWaalsContact CD-OE1 3.24Å
134	T	92.8	Very high	89.4	Confident	33 Å²	33	84 Å²	84	20%	0.202	41%	0.413	C	S	.	.			trans	-162.3	147	170.2	-179.5	0	0	0	0	109.6	F136 R792 L795	T134-F136 HydrophobicContact CG2-CB 4.03Å; T134-F136 PolarHBondContact OG1-N 2.8Å; T134-R792 HydrophobicContact CG2-CG 3.74Å; T134-R792 PolarHBondContact O-NH2 2.96Å; T134-L795 HydrophobicContact CG2-CB 4.41Å
135	E	92.4	Very high	90.4	Very high	179 Å²	179	79.3 Å²	79.3	84%	0.836	39%	0.39	S	S	*	.	S	Bend	trans	-72.9	-19.8	174	-59.7	-174.6	152.5	0	0	111.9	P137	E135-P137 WeakPolarHBondContact O-CD 3.2Å; E135-P137 VanDerWaalsContact O-N 3.17Å
136	F	94.9	Very high	91	Very high	0 Å²	0	78 Å²	78	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-54.7	118.5	-179.7	-177.9	-104.2	0	0	0	111.2	T134 R788 R792 L795 L902 E905 V906 H909	T134-F136 HydrophobicContact CG2-CB 4.03Å; T134-F136 PolarHBondContact OG1-N 2.8Å; F136-R788 HydrophobicContact CE1-CG 3.63Å; F136-R788 HydrophobicContact CZ-CG 3.83Å; F136-R792 HydrophobicContact CD1-CB 3.76Å; F136-R792 HydrophobicContact CD1-CG 3.92Å; F136-R792 HydrophobicContact CE1-CB 4.06Å; F136-R792 WeakPolarHBondContact O-CD 3.47Å; F136-R792 PolarHBondContact O-NE 3.4Å; F136-L795 HydrophobicContact CB-CD1 3.87Å; F136-L795 HydrophobicContact CD1-CD1 3.84Å; F136-L795 HydrophobicContact CD2-CD1 4.05Å; F136-L795 HydrophobicContact CE1-CD1 4.35Å; F136-L795 HydrophobicContact CG-CD1 3.66Å; F136-L902 HydrophobicContact CZ-CD1 3.99Å; F136-E905 HydrophobicContact CD2-CG 4.29Å; F136-E905 HydrophobicContact CE2-CB 4.25Å; F136-E905 HydrophobicContact CE2-CG 3.88Å; F136-V906 HydrophobicContact CD2-CG2 4.41Å; F136-V906 HydrophobicContact CE1-CG2 4.29Å; F136-V906 HydrophobicContact CE2-CB 4.5Å; F136-V906 HydrophobicContact CE2-CG2 3.51Å; F136-V906 HydrophobicContact CZ-CG2 3.43Å; F136-V906 VanDerWaalsContact CZ-CG2 3.43Å; F136-H909 HydrophobicContact CB-CB 4.21Å; F136-H909 HydrophobicContact CD2-CB 4.41Å; F136-H909 AromaticContact CD2-CE1 3.97Å; F136-H909 AromaticContact CD2-CG 3.97Å; F136-H909 AromaticContact CD2-ND1 3.69Å; F136-H909 PolarHBondContact N-CD2 3.46Å
137	P	92.7	Very high	91.6	Very high	44 Å²	44	73.9 Å²	73.9	29%	0.286	38%	0.376	S	S	.	.			trans	-74.9	135.8	-167.4	21.6	-26.3	0	0	0	112	E135 K139 L140 R788	E135-P137 WeakPolarHBondContact O-CD 3.2Å; E135-P137 VanDerWaalsContact O-N 3.17Å; P137-K139 VanDerWaalsContact C-N 3.35Å; P137-K139 PolarHBondContact O-N 3.29Å; P137-L140 HydrophobicContact CB-CD2 4.11Å; P137-L140 HydrophobicContact CG-CD1 4.26Å; P137-L140 HydrophobicContact CG-CD2 3.91Å; P137-L140 HydrophobicContact CG-CG 4.15Å; P137-R788 PolarHBondContact O-NE 3.33Å; P137-R788 PolarHBondContact O-NH2 3.23Å; P137-R788 VanDerWaalsContact O-NH2 3.09Å
138	M	90	Very high	92.1	Very high	121 Å²	121	69.1 Å²	69.1	60%	0.596	35%	0.348	S	S	*	.	S	Bend	trans	-65.2	-33.3	-175.4	-171.7	-174.1	73.3	0	0	113.6	N789	M138-N789 VanDerWaalsContact CG-OD1 3.3Å; M138-N789 WeakPolarHBondContact CG-OD1 3.34Å
139	K	88.7	Confident	92.5	Very high	121 Å²	121	67.1 Å²	67.1	53%	0.526	34%	0.335	S	S	.	.			trans	-149.9	140.9	174.8	-164.1	179.2	-171.5	-176.5	0	110.3	P137 T141	P137-K139 VanDerWaalsContact C-N 3.35Å; P137-K139 PolarHBondContact O-N 3.29Å; K139-T141 HydrophobicContact CD-CG2 4.05Å; K139-T141 HydrophobicContact CG-CG2 4.2Å
140	L	88.9	Confident	92.8	Very high	28 Å²	28	69.4 Å²	69.4	15%	0.147	35%	0.346	C	S	.	.			trans	-121.1	145.1	167.8	-62.3	174.4	0	0	0	108.2	P137 L145 R148	P137-L140 HydrophobicContact CB-CD2 4.11Å; P137-L140 HydrophobicContact CG-CD1 4.26Å; P137-L140 HydrophobicContact CG-CD2 3.91Å; P137-L140 HydrophobicContact CG-CG 4.15Å; L140-L145 HydrophobicContact CB-CB 4.14Å; L140-L145 HydrophobicContact CB-CD1 4.03Å; L140-R148 HydrophobicContact CD1-CB 4.05Å; L140-R148 HydrophobicContact CD1-CG 3.92Å
141	T	88.6	Confident	93	Very high	80 Å²	80	71 Å²	71	49%	0.491	35%	0.352	S	S	.	.			trans	-159.7	148.5	-177.8	49.4	0	0	0	0	110.7	K139	K139-T141 HydrophobicContact CD-CG2 4.05Å; K139-T141 HydrophobicContact CG-CG2 4.2Å
142	G	90.4	Very high	93.2	Very high	30 Å²	30	67.4 Å²	67.4	31%	0.309	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-148.1	178.3	0	0	0	0	0	111.4	K144 L145 L146	G142-K144 PolarHBondContact O-N 3.32Å; G142-K144 VanDerWaalsContact O-N 3.09Å; G142-L145 WeakPolarHBondContact O-CB 3.12Å; G142-L145 PolarHBondContact O-N 3.28Å; G142-L146 PolarHBondContact O-N 3.41Å
143	Q	91.9	Very high	93.4	Very high	121 Å²	121	67 Å²	67	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-49.8	-42.1	-176.5	-163.8	57.5	43.6	0	0	113.4	L145 L146 D147	Q143-L145 PolarHBondContact O-N 3.27Å; Q143-L145 VanDerWaalsContact O-N 3.11Å; Q143-L146 PolarHBondContact O-N 2.83Å; Q143-D147 PolarHBondContact NE2-OD1 2.82Å; Q143-D147 PolarHBondContact O-N 2.9Å
144	K	93.9	Very high	93.5	Very high	157 Å²	157	67 Å²	67	68%	0.683	34%	0.335	S	S	*	.	H	α-helix	trans	-61.9	-20.8	178.6	-64.2	-169.7	177.7	-170.4	0	115.2	G142 R148	G142-K144 PolarHBondContact O-N 3.32Å; G142-K144 VanDerWaalsContact O-N 3.09Å; K144-R148 WeakPolarHBondContact O-CB 3.48Å
145	L	94.9	Very high	93.5	Very high	27 Å²	27	70.5 Å²	70.5	14%	0.141	35%	0.349	C	S	.	.	H	α-helix	trans	-79.3	-45.2	170.8	176.1	61.2	0	0	0	110.3	L140 G142 Q143 R148 E149 Y752	L140-L145 HydrophobicContact CB-CB 4.14Å; L140-L145 HydrophobicContact CB-CD1 4.03Å; G142-L145 WeakPolarHBondContact O-CB 3.12Å; G142-L145 PolarHBondContact O-N 3.28Å; Q143-L145 PolarHBondContact O-N 3.27Å; Q143-L145 VanDerWaalsContact O-N 3.11Å; L145-R148 PolarHBondContact O-N 3.26Å; L145-E149 HydrophobicContact CD1-CG 4.4Å; L145-E149 PolarHBondContact O-N 3.03Å; L145-Y752 WeakPolarHBondContact CD2-O 3.44Å
146	L	95.7	Very high	93.6	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-46.4	-179.2	-51	-179.2	0	0	0	111.5	G142 Q143 R148 E149 L150 I741 A751	G142-L146 PolarHBondContact O-N 3.41Å; Q143-L146 PolarHBondContact O-N 2.83Å; L146-R148 VanDerWaalsContact C-N 3.26Å; L146-R148 PolarHBondContact O-N 2.88Å; L146-E149 PolarHBondContact O-N 3.28Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.47Å; L146-I741 HydrophobicContact CD2-CG2 4.34Å; L146-I741 VanDerWaalsContact CD2-O 3.26Å; L146-I741 WeakPolarHBondContact CD2-O 3.23Å; L146-A751 HydrophobicContact CD1-CB 4.13Å; L146-A751 HydrophobicContact CD2-CB 4.31Å; L146-A751 HydrophobicContact CG-CB 4.4Å
147	D	96.4	Very high	93.5	Very high	79 Å²	79	62.7 Å²	62.7	42%	0.422	32%	0.316	S	S	.	.	H	α-helix	trans	-55	-44.7	174.7	-57.6	-26.2	0	0	0	110.6	Q143 Q151	Q143-D147 PolarHBondContact NE2-OD1 2.82Å; Q143-D147 PolarHBondContact O-N 2.9Å; D147-Q151 VanDerWaalsContact O-CB 3.25Å; D147-Q151 WeakPolarHBondContact O-CB 3.47Å; D147-Q151 PolarHBondContact O-N 3.36Å
148	R	95.9	Very high	93.6	Very high	35 Å²	35	61.5 Å²	61.5	13%	0.132	31%	0.306	C	S	.	.	H	α-helix	trans	-74.7	-38.6	-177.8	-172.4	56.8	-176.8	150	11.5	112.4	L140 K144 L145 L146 Q151 I152 E155 E905	L140-R148 HydrophobicContact CD1-CB 4.05Å; L140-R148 HydrophobicContact CD1-CG 3.92Å; K144-R148 WeakPolarHBondContact O-CB 3.48Å; L145-R148 PolarHBondContact O-N 3.26Å; L146-R148 VanDerWaalsContact C-N 3.26Å; L146-R148 PolarHBondContact O-N 2.88Å; R148-Q151 VanDerWaalsContact CD-OE1 3.29Å; R148-Q151 PolarHBondContact O-N 3.19Å; R148-I152 HydrophobicContact CG-CD1 3.87Å; R148-I152 HydrophobicContact CG-CG1 4.45Å; R148-I152 WeakPolarHBondContact O-CB 3.39Å; R148-I152 VanDerWaalsContact O-CD1 3.24Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 2.83Å; R148-E155 IonicContact CZ-OE2 3.15Å; R148-E155 IonicContact NH1-OE2 2.7Å; R148-E155 PolarHBondContact NH1-OE2 2.92Å; R148-E155 IonicContact NH2-OE2 3.84Å; R148-E905 IonicContact NE-OE1 2.78Å
149	E	96.9	Very high	93.8	Very high	6 Å²	6	59 Å²	59	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-47.7	171.6	-78.6	-170.5	164.1	0	0	111.1	L145 L146 I152 Q153 R264 G753 A754 D755 H901	L145-E149 HydrophobicContact CD1-CG 4.4Å; L145-E149 PolarHBondContact O-N 3.03Å; L146-E149 PolarHBondContact O-N 3.28Å; E149-I152 PolarHBondContact O-N 3.22Å; E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.85Å; E149-R264 IonicContact OE2-CZ 2.74Å; E149-R264 VanDerWaalsContact OE2-CZ 3.25Å; E149-R264 IonicContact OE2-NH1 3.42Å; E149-R264 PolarHBondContact OE2-NH1 3.43Å; E149-R264 IonicContact OE2-NH2 3.4Å; E149-R264 PolarHBondContact OE2-NH2 2.84Å; E149-G753 WeakPolarHBondContact OE1-CA 3.47Å; E149-A754 VanDerWaalsContact CD-N 3.3Å; E149-A754 PolarHBondContact OE1-N 3.44Å; E149-A754 PolarHBondContact OE2-N 2.86Å; E149-D755 PolarHBondContact OE1-N 3.45Å; E149-D755 VanDerWaalsContact OE1-N 3.14Å; E149-H901 HydrophobicContact CG-CB 4.22Å
150	L	96.9	Very high	94	Very high	70 Å²	70	58.4 Å²	58.4	37%	0.366	30%	0.304	S	S	.	.	H	α-helix	trans	-65.4	-40.8	178.4	-68.5	171.5	0	0	0	112	L146 I152 Q153 Q154	L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 3.47Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.17Å; L150-Q153 PolarHBondContact O-N 2.66Å; L150-Q154 WeakPolarHBondContact O-CG 3.2Å; L150-Q154 PolarHBondContact O-N 2.74Å; L150-Q154 VanDerWaalsContact O-N 3.14Å
151	Q	96.2	Very high	94.3	Very high	78 Å²	78	57.1 Å²	57.1	36%	0.364	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-43.4	173.8	-171.1	-171	10.3	0	0	111.3	D147 R148 Q154 E155	D147-Q151 VanDerWaalsContact O-CB 3.25Å; D147-Q151 WeakPolarHBondContact O-CB 3.47Å; D147-Q151 PolarHBondContact O-N 3.36Å; R148-Q151 VanDerWaalsContact CD-OE1 3.29Å; R148-Q151 PolarHBondContact O-N 3.19Å; Q151-Q154 PolarHBondContact O-N 2.6Å; Q151-E155 VanDerWaalsContact CG-CD 3.47Å; Q151-E155 HydrophobicContact CG-CG 4.06Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.16Å; Q151-E155 PolarHBondContact NE2-OE1 3.05Å; Q151-E155 PolarHBondContact NE2-OE2 3.12Å; Q151-E155 WeakPolarHBondContact O-CB 3.39Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.07Å
152	I	95.8	Very high	94.7	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-39.7	176.7	-67.2	155.6	0	0	0	111.4	R148 E149 L150 Q154 C156 F158 E904 E905	R148-I152 HydrophobicContact CG-CD1 3.87Å; R148-I152 HydrophobicContact CG-CG1 4.45Å; R148-I152 WeakPolarHBondContact O-CB 3.39Å; R148-I152 VanDerWaalsContact O-CD1 3.24Å; R148-I152 WeakPolarHBondContact O-CD1 3.43Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 2.83Å; E149-I152 PolarHBondContact O-N 3.22Å; L150-I152 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.17Å; I152-Q154 PolarHBondContact O-N 3.22Å; I152-C156 WeakPolarHBondContact O-CB 3.3Å; I152-C156 PolarHBondContact O-N 2.98Å; I152-F158 HydrophobicContact CG2-CE1 4.08Å; I152-F158 HydrophobicContact CG2-CZ 4.3Å; I152-E904 HydrophobicContact CG2-CB 3.83Å; I152-E905 HydrophobicContact CD1-CB 3.65Å; I152-E905 HydrophobicContact CD1-CG 3.89Å; I152-E905 HydrophobicContact CG1-CB 4.42Å
153	Q	95.9	Very high	94.9	Very high	32 Å²	32	54.6 Å²	54.6	15%	0.15	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-35.8	175.4	-72.8	-178.9	-0.1	0	0	112.1	E149 L150 F158 R264 H901	E149-Q153 WeakPolarHBondContact O-CG 3.25Å; E149-Q153 PolarHBondContact O-N 2.85Å; L150-Q153 PolarHBondContact O-N 2.66Å; Q153-F158 HydrophobicContact CB-CB 4.26Å; Q153-F158 HydrophobicContact CB-CD2 4.44Å; Q153-F158 HydrophobicContact CB-CG 4.22Å; Q153-F158 HydrophobicContact CG-CB 4.46Å; Q153-F158 HydrophobicContact CG-CD2 3.79Å; Q153-F158 HydrophobicContact CG-CE2 4.09Å; Q153-F158 HydrophobicContact CG-CG 4.08Å; Q153-F158 WeakPolarHBondContact O-CB 3.42Å; Q153-F158 PolarHBondContact O-N 3.44Å; Q153-R264 PolarHBondContact NE2-O 2.86Å; Q153-H901 PolarHBondContact NE2-NE2 3.36Å
154	Q	94.8	Very high	95	Very high	153 Å²	153	52.3 Å²	52.3	72%	0.715	26%	0.263	S	S	*	.	H	α-helix	trans	-80.2	-54.1	177.5	-66.7	171.6	1.2	0	0	112.3	L150 Q151 I152 C156 G157	L150-Q154 WeakPolarHBondContact O-CG 3.2Å; L150-Q154 PolarHBondContact O-N 2.74Å; L150-Q154 VanDerWaalsContact O-N 3.14Å; Q151-Q154 PolarHBondContact O-N 2.6Å; I152-Q154 PolarHBondContact O-N 3.22Å; Q154-C156 VanDerWaalsContact C-N 3.34Å; Q154-C156 PolarHBondContact O-N 3.17Å; Q154-G157 PolarHBondContact O-N 3.07Å
155	E	92.6	Very high	95.1	Very high	106 Å²	106	44.9 Å²	44.9	50%	0.495	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-38.1	-176.7	-72	178.3	161.7	0	0	112.5	R148 Q151	R148-E155 IonicContact CZ-OE2 3.15Å; R148-E155 IonicContact NH1-OE2 2.7Å; R148-E155 PolarHBondContact NH1-OE2 2.92Å; R148-E155 IonicContact NH2-OE2 3.84Å; Q151-E155 VanDerWaalsContact CG-CD 3.47Å; Q151-E155 HydrophobicContact CG-CG 4.06Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.16Å; Q151-E155 PolarHBondContact NE2-OE1 3.05Å; Q151-E155 PolarHBondContact NE2-OE2 3.12Å; Q151-E155 WeakPolarHBondContact O-CB 3.39Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 3.07Å
156	C	92.9	Very high	95	Very high	3 Å²	3	47 Å²	47	2%	0.02	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	11.3	179.4	-62.8	0	0	0	0	113.8	I152 Q154 F158 E904 T918	I152-C156 WeakPolarHBondContact O-CB 3.3Å; I152-C156 PolarHBondContact O-N 2.98Å; Q154-C156 VanDerWaalsContact C-N 3.34Å; Q154-C156 PolarHBondContact O-N 3.17Å; C156-F158 HydrophobicContact CB-CD1 4.25Å; C156-F158 HydrophobicContact CB-CE1 4.08Å; C156-E904 HydrophobicContact CB-CB 4.19Å; C156-E904 HydrophobicContact CB-CG 4.1Å; C156-T918 HydrophobicContact CB-CG2 4.26Å
157	G	93.3	Very high	94.8	Very high	12 Å²	12	54.1 Å²	54.1	12%	0.124	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	53.7	170.6	0	0	0	0	0	115	Q154 A159 E160 L161	Q154-G157 PolarHBondContact O-N 3.07Å; G157-A159 PolarHBondContact O-N 3.42Å; G157-E160 WeakPolarHBondContact CA-OE2 3.3Å; G157-E160 PolarHBondContact O-N 3.1Å; G157-L161 WeakPolarHBondContact O-CB 3.42Å; G157-L161 PolarHBondContact O-N 3.19Å
158	F	95.4	Very high	94.5	Very high	19 Å²	19	53.6 Å²	53.6	8%	0.083	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-25.5	-177.3	-87.8	46.1	0	0	0	113.3	I152 Q153 C156 P900 H901 E904	I152-F158 HydrophobicContact CG2-CE1 4.08Å; I152-F158 HydrophobicContact CG2-CZ 4.3Å; Q153-F158 HydrophobicContact CB-CB 4.26Å; Q153-F158 HydrophobicContact CB-CD2 4.44Å; Q153-F158 HydrophobicContact CB-CG 4.22Å; Q153-F158 HydrophobicContact CG-CB 4.46Å; Q153-F158 HydrophobicContact CG-CD2 3.79Å; Q153-F158 HydrophobicContact CG-CE2 4.09Å; Q153-F158 HydrophobicContact CG-CG 4.08Å; Q153-F158 WeakPolarHBondContact O-CB 3.42Å; Q153-F158 PolarHBondContact O-N 3.44Å; C156-F158 HydrophobicContact CB-CD1 4.25Å; C156-F158 HydrophobicContact CB-CE1 4.08Å; F158-P900 HydrophobicContact CE2-CB 3.95Å; F158-P900 HydrophobicContact CE2-CG 4.22Å; F158-P900 HydrophobicContact CZ-CB 3.93Å; F158-H901 AromaticContact CE2-CD2 3.8Å; F158-H901 AromaticContact CE2-NE2 3.67Å; F158-H901 AromaticContact CZ-CD2 3.97Å; F158-E904 HydrophobicContact CE1-CG 4.19Å
159	A	92.9	Very high	94.1	Very high	68 Å²	68	62.4 Å²	62.4	56%	0.562	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-44.2	177.5	0	0	0	0	0	111.2	G157 L161	G157-A159 PolarHBondContact O-N 3.42Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3Å
160	E	94.3	Very high	93.4	Very high	110 Å²	110	64 Å²	64	51%	0.514	32%	0.315	S	S	.	.	H	α-helix	trans	-77.2	-17.4	-177	-55.4	75.2	-167.9	0	0	112.5	G157 Y162 S163 W164	G157-E160 WeakPolarHBondContact CA-OE2 3.3Å; G157-E160 PolarHBondContact O-N 3.1Å; E160-Y162 VanDerWaalsContact C-N 3.25Å; E160-Y162 PolarHBondContact O-N 3.48Å; E160-S163 PolarHBondContact O-N 3.45Å; E160-S163 PolarHBondContact O-OG 2.89Å; E160-S163 VanDerWaalsContact O-OG 3.05Å; E160-W164 VanDerWaalsContact O-CB 3.25Å; E160-W164 WeakPolarHBondContact O-CB 3.43Å; E160-W164 PolarHBondContact O-N 2.86Å
161	L	94.8	Very high	92.8	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-36.7	-177.7	-179.2	61.1	0	0	0	112.9	G157 A159 W164 Q165 M206 M268 F920	G157-L161 WeakPolarHBondContact O-CB 3.42Å; G157-L161 PolarHBondContact O-N 3.19Å; A159-L161 VanDerWaalsContact C-N 3.31Å; A159-L161 PolarHBondContact O-N 3Å; L161-W164 HydrophobicContact CD1-CE3 3.96Å; L161-W164 HydrophobicContact CD1-CZ3 4.29Å; L161-Q165 WeakPolarHBondContact O-CG 3.12Å; L161-Q165 PolarHBondContact O-N 3.32Å; L161-M206 HydrophobicContact CD1-CE 4.2Å; L161-M206 HydrophobicContact CD1-SD 4.18Å; L161-M206 HydrophobicContact CD2-CE 4.22Å; L161-M206 HydrophobicContact CG-CE 4.35Å; L161-M206 HydrophobicContact CG-SD 4.31Å; L161-M268 HydrophobicContact CD2-CG 4.34Å; L161-M268 HydrophobicContact CD2-SD 3.84Å; L161-M268 HydrophobicContact CG-CG 4.36Å; L161-M268 HydrophobicContact CG-SD 3.81Å; L161-F920 HydrophobicContact CD1-CB 3.6Å; L161-F920 HydrophobicContact CD2-CB 3.81Å; L161-F920 HydrophobicContact CD2-CD2 3.87Å; L161-F920 HydrophobicContact CD2-CG 3.84Å; L161-F920 HydrophobicContact CG-CB 4.35Å
162	Y	96.4	Very high	92.6	Very high	9 Å²	9	70.3 Å²	70.3	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-73.8	-45.5	179.5	178.3	-87.3	0	0	0	112.4	E160 Q165 R166 M268 A269 D270	E160-Y162 VanDerWaalsContact C-N 3.25Å; E160-Y162 PolarHBondContact O-N 3.48Å; Y162-Q165 WeakPolarHBondContact O-CG 3.45Å; Y162-Q165 PolarHBondContact O-N 3.49Å; Y162-Q165 PolarHBondContact O-NE2 2.73Å; Y162-R166 HydrophobicContact CD1-CG 4.13Å; Y162-R166 HydrophobicContact CE1-CG 3.56Å; Y162-R166 HydrophobicContact CE2-CG 4.44Å; Y162-R166 WeakPolarHBondContact O-CG 3.21Å; Y162-R166 PolarHBondContact O-N 3.4Å; Y162-R166 VanDerWaalsContact O-N 3.13Å; Y162-R166 PolarHBondContact OH-NH1 2.91Å; Y162-M268 HydrophobicContact CD2-CG 4.37Å; Y162-A269 WeakPolarHBondContact CB-O 3.29Å; Y162-A269 VanDerWaalsContact CG-C 3.41Å; Y162-D270 HydrophobicContact CD1-CB 4.22Å; Y162-D270 HydrophobicContact CE1-CB 3.48Å; Y162-D270 VanDerWaalsContact CE1-CB 3.48Å; Y162-D270 WeakPolarHBondContact CE1-OD2 3.46Å; Y162-D270 HydrophobicContact CE2-CB 4.47Å; Y162-D270 WeakPolarHBondContact OH-CB 3.13Å; Y162-D270 PolarHBondContact OH-OD2 3.22Å
163	S	95.4	Very high	92.4	Very high	48 Å²	48	75.2 Å²	75.2	34%	0.336	37%	0.372	S	S	.	.	H	α-helix	trans	-64.3	-44.6	177.2	47.6	0	0	0	0	110.8	E160 Q165 R166 E167	E160-S163 PolarHBondContact O-N 3.45Å; E160-S163 PolarHBondContact O-OG 2.89Å; E160-S163 VanDerWaalsContact O-OG 3.05Å; S163-Q165 VanDerWaalsContact C-N 3.31Å; S163-Q165 PolarHBondContact O-N 3.47Å; S163-R166 WeakPolarHBondContact O-CB 3.31Å; S163-R166 PolarHBondContact O-N 2.82Å; S163-E167 PolarHBondContact O-N 3.35Å; S163-E167 VanDerWaalsContact O-N 3.1Å
164	W	94.5	Very high	92.4	Very high	73 Å²	73	74.3 Å²	74.3	28%	0.277	37%	0.367	S	S	.	.	H	α-helix	trans	-51	-46.4	172.7	172.5	79	0	0	0	112.6	E160 L161 R166 E167 R168 K921	E160-W164 VanDerWaalsContact O-CB 3.25Å; E160-W164 WeakPolarHBondContact O-CB 3.43Å; E160-W164 PolarHBondContact O-N 2.86Å; L161-W164 HydrophobicContact CD1-CE3 3.96Å; L161-W164 HydrophobicContact CD1-CZ3 4.29Å; W164-R166 PolarHBondContact O-N 3.17Å; W164-E167 PolarHBondContact O-N 3.34Å; W164-R168 VanDerWaalsContact CH2-CD 3.41Å; W164-R168 HydrophobicContact CH2-CG 4.34Å; W164-R168 HydrophobicContact CZ2-CG 4.14Å; W164-R168 PolarHBondContact O-N 3.23Å; W164-K921 HydrophobicContact CD2-CD 4.44Å; W164-K921 HydrophobicContact CD2-CG 4.08Å; W164-K921 HydrophobicContact CE3-CG 4.05Å; W164-K921 VanDerWaalsContact CH2-CA 3.49Å; W164-K921 HydrophobicContact CH2-CB 3.8Å; W164-K921 HydrophobicContact CH2-CG 3.71Å; W164-K921 HydrophobicContact CZ2-CB 3.86Å; W164-K921 HydrophobicContact CZ2-CD 4.43Å; W164-K921 HydrophobicContact CZ2-CG 3.72Å; W164-K921 HydrophobicContact CZ3-CB 4.37Å; W164-K921 HydrophobicContact CZ3-CG 3.86Å
165	Q	94.9	Very high	92.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-74.1	-24.4	-179.6	72.7	75.9	33.4	0	0	113.9	L161 Y162 S163 E167 R168 M206 Q211 V212	L161-Q165 WeakPolarHBondContact O-CG 3.12Å; L161-Q165 PolarHBondContact O-N 3.32Å; Y162-Q165 WeakPolarHBondContact O-CG 3.45Å; Y162-Q165 PolarHBondContact O-N 3.49Å; Y162-Q165 PolarHBondContact O-NE2 2.73Å; S163-Q165 VanDerWaalsContact C-N 3.31Å; S163-Q165 PolarHBondContact O-N 3.47Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-R168 PolarHBondContact O-N 2.98Å; Q165-M206 HydrophobicContact CB-CG 4.02Å; Q165-M206 HydrophobicContact CB-SD 3.81Å; Q165-M206 HydrophobicContact CG-CG 4.17Å; Q165-M206 HydrophobicContact CG-SD 3.73Å; Q165-Q211 PolarHBondContact O-NE2 3.37Å; Q165-V212 PolarHBondContact NE2-O 2.98Å
166	R	92.8	Very high	92.7	Very high	71 Å²	71	62.8 Å²	62.8	27%	0.268	32%	0.315	S	S	.	.	H	α-helix	trans	-70.8	-25.1	170.1	-67.2	-58.4	-61.2	-87.8	-1.8	113.2	Y162 S163 W164 Q211 V212 H213 D270	Y162-R166 HydrophobicContact CD1-CG 4.13Å; Y162-R166 HydrophobicContact CE1-CG 3.56Å; Y162-R166 HydrophobicContact CE2-CG 4.44Å; Y162-R166 WeakPolarHBondContact O-CG 3.21Å; Y162-R166 PolarHBondContact O-N 3.4Å; Y162-R166 VanDerWaalsContact O-N 3.13Å; Y162-R166 PolarHBondContact OH-NH1 2.91Å; S163-R166 WeakPolarHBondContact O-CB 3.31Å; S163-R166 PolarHBondContact O-N 2.82Å; W164-R166 PolarHBondContact O-N 3.17Å; R166-Q211 PolarHBondContact O-NE2 2.95Å; R166-V212 WeakPolarHBondContact CD-O 3.5Å; R166-H213 PolarHBondContact NH1-CD2 3Å; R166-D270 IonicContact NH1-OD2 3.37Å
167	E	92.4	Very high	93	Very high	160 Å²	160	62.7 Å²	62.7	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-83.4	-18.3	175.8	-67.9	178.9	179.1	0	0	113.8	S163 W164 Q165 K169	S163-E167 PolarHBondContact O-N 3.35Å; S163-E167 VanDerWaalsContact O-N 3.1Å; W164-E167 PolarHBondContact O-N 3.34Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; E167-K169 PolarHBondContact O-N 3.13Å
168	R	90.6	Very high	93.2	Very high	69 Å²	69	62.1 Å²	62.1	26%	0.26	31%	0.309	S	S	.	.	S	Bend	trans	-62	135.7	179.4	-69.6	166	80.6	-169.6	1	112.1	W164 Q165 A170 M206 Q211	W164-R168 VanDerWaalsContact CH2-CD 3.41Å; W164-R168 HydrophobicContact CH2-CG 4.34Å; W164-R168 HydrophobicContact CZ2-CG 4.14Å; W164-R168 PolarHBondContact O-N 3.23Å; Q165-R168 PolarHBondContact O-N 2.98Å; R168-A170 PolarHBondContact O-N 3.22Å; R168-M206 PolarHBondContact NH1-O 3.05Å; R168-Q211 PolarHBondContact O-NE2 3.24Å
169	K	85.9	Confident	93.2	Very high	219 Å²	219	61.5 Å²	61.5	95%	0.952	31%	0.308	S	S	*	.			trans	-74.1	71.9	168.5	-63.3	-177.4	-177.5	177.4	0	111.4	E167	E167-K169 PolarHBondContact O-N 3.13Å
170	A	83.7	Confident	93.4	Very high	39 Å²	39	59.1 Å²	59.1	32%	0.322	29%	0.286	S	S	.	.			trans	-86.4	146	174	0	0	0	0	0	111.8	R168 Q211	R168-A170 PolarHBondContact O-N 3.22Å; A170-Q211 HydrophobicContact CB-CB 3.84Å
171	T	83.4	Confident	93.4	Very high	145 Å²	145	54.5 Å²	54.5	89%	0.89	27%	0.266	S	S	*	.	S	Bend	trans	-89.1	-6.3	175.9	54.8	0	0	0	0	113.7
172	K	91.8	Very high	93.3	Very high	136 Å²	136	56.4 Å²	56.4	59%	0.591	27%	0.274	S	S	*	.			trans	-130.2	137.3	178.9	-64.9	179.7	-179.3	177	0	109.5	C210 Q211	K172-C210 HydrophobicContact CB-CB 4.49Å; K172-C210 WeakPolarHBondContact O-CA 3.37Å; K172-Q211 PolarHBondContact O-N 2.81Å
173	K	92.8	Very high	93.1	Very high	106 Å²	106	56 Å²	56	46%	0.461	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	153	163.6	-70.1	-170.9	177.7	-175	0	109.8	Q211 E674	K173-Q211 CarbonylContact C-O 3.53Å; K173-Q211 VanDerWaalsContact CA-O 3.25Å; K173-Q211 WeakPolarHBondContact CA-O 3.35Å; K173-E674 IonicContact NZ-OE1 3.51Å; K173-E674 PolarHBondContact NZ-OE1 2.87Å; K173-E674 IonicContact NZ-OE2 2.7Å; K173-E674 PolarHBondContact NZ-OE2 2.84Å
174	F	95.4	Very high	92.8	Very high	13 Å²	13	55.4 Å²	55.4	6%	0.057	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.3	163.5	174.9	-101	0	0	0	108.1	L176 R201 E205 C210 Q211 V212 H213 D681 A682	F174-L176 HydrophobicContact CE1-CB 3.99Å; F174-L176 HydrophobicContact CE1-CD1 4.39Å; F174-R201 HydrophobicContact CE1-CG 3.81Å; F174-R201 HydrophobicContact CZ-CG 3.7Å; F174-E205 HydrophobicContact CB-CB 4.16Å; F174-E205 HydrophobicContact CB-CG 4.33Å; F174-E205 HydrophobicContact CD1-CB 3.98Å; F174-E205 HydrophobicContact CD1-CG 3.85Å; F174-E205 HydrophobicContact CD2-CG 4.07Å; F174-E205 HydrophobicContact CE1-CG 4.15Å; F174-E205 HydrophobicContact CE2-CG 4.36Å; F174-E205 HydrophobicContact CG-CB 4.06Å; F174-E205 HydrophobicContact CG-CG 3.81Å; F174-E205 HydrophobicContact CZ-CG 4.41Å; F174-C210 HydrophobicContact CB-CB 4.16Å; F174-Q211 PolarHBondContact N-O 2.79Å; F174-V212 CarbonylContact O-C 3.59Å; F174-V212 WeakPolarHBondContact O-CA 3.4Å; F174-H213 PolarHBondContact O-N 3.12Å; F174-D681 WeakPolarHBondContact CA-OD2 3.39Å; F174-D681 HydrophobicContact CD2-CB 3.64Å; F174-D681 HydrophobicContact CE2-CB 3.56Å; F174-D681 HydrophobicContact CZ-CB 4.46Å; F174-A682 HydrophobicContact CZ-CB 4.39Å
175	C	96.1	Very high	92.5	Very high	17 Å²	17	52.2 Å²	52.2	12%	0.115	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.8	179.8	-176.2	0	0	0	0	110.7	H213 A680 D681 A682	C175-H213 WeakPolarHBondContact CA-O 3.37Å; C175-H213 HydrophobicContact CB-CB 4.15Å; C175-A680 CarbonylContact O-C 3.56Å; C175-D681 PolarHBondContact N-OD2 3.1Å; C175-D681 PolarHBondContact O-N 3.26Å; C175-A682 PolarHBondContact O-N 3.43Å
176	L	97.6	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.2	165.1	-164.6	156.1	0	0	0	106.8	F174 K198 R201 H213 Y214 V684	F174-L176 HydrophobicContact CE1-CB 3.99Å; F174-L176 HydrophobicContact CE1-CD1 4.39Å; L176-K198 HydrophobicContact CD1-CB 4.12Å; L176-K198 HydrophobicContact CD1-CG 4.21Å; L176-K198 HydrophobicContact CD2-CB 4.16Å; L176-K198 HydrophobicContact CD2-CD 4.05Å; L176-K198 HydrophobicContact CD2-CG 3.79Å; L176-R201 HydrophobicContact CD1-CB 4.44Å; L176-R201 HydrophobicContact CD1-CG 4.4Å; L176-H213 PolarHBondContact N-O 3.39Å; L176-Y214 HydrophobicContact CB-CD2 4.26Å; L176-Y214 HydrophobicContact CD2-CD2 3.71Å; L176-Y214 HydrophobicContact CD2-CE2 3.7Å; L176-Y214 WeakPolarHBondContact O-CD2 3.28Å; L176-V684 HydrophobicContact CD1-CG2 3.99Å; L176-V684 HydrophobicContact CG-CG2 4.41Å
177	H	97.8	Very high	92.3	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.4	174.4	-169.1	45.5	0	0	0	109.6	S668 L673 A680 A682 Y683 W693	H177-S668 WeakPolarHBondContact NE2-CB 3.47Å; H177-S668 PolarHBondContact NE2-OG 2.76Å; H177-L673 HydrophobicContact CB-CD2 4.2Å; H177-A680 HydrophobicContact CB-CB 3.76Å; H177-A682 PolarHBondContact N-O 2.74Å; H177-Y683 HydrophobicContact CB-CD1 3.8Å; H177-Y683 HydrophobicContact CB-CE1 3.54Å; H177-Y683 AromaticContact CD2-CE1 3.76Å; H177-Y683 AromaticContact CD2-CZ 3.6Å; H177-Y683 PolarHBondContact CD2-OH 2.83Å; H177-W693 AromaticContact CD2-CH2 3.53Å; H177-W693 AromaticContact CD2-CZ2 3.38Å; H177-W693 WeakPolarHBondContact CD2-CZ2 3.35Å; H177-W693 AromaticContact NE2-CZ2 3.63Å
178	D	97.8	Very high	92.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-81.7	121.3	-178	-168.1	43.2	0	0	0	110.2	K195 K198 Y214 I215 P216 G217 Y275	D178-K195 IonicContact OD1-NZ 3.03Å; D178-K195 PolarHBondContact OD1-NZ 3.49Å; D178-K195 IonicContact OD2-NZ 3.49Å; D178-K195 PolarHBondContact OD2-NZ 2.7Å; D178-K198 WeakPolarHBondContact OD1-CD 3.48Å; D178-K198 IonicContact OD1-NZ 2.81Å; D178-K198 PolarHBondContact OD1-NZ 2.89Å; D178-Y214 HydrophobicContact CB-CD2 4.31Å; D178-Y214 HydrophobicContact CB-CE2 3.63Å; D178-Y214 PolarHBondContact OD1-OH 3.48Å; D178-I215 WeakPolarHBondContact CB-O 3.39Å; D178-P216 WeakPolarHBondContact OD2-CA 3.46Å; D178-G217 PolarHBondContact OD2-N 3.43Å; D178-Y275 PolarHBondContact O-OH 3.09Å
179	G	96.4	Very high	92.5	Very high	6 Å²	6	47 Å²	47	6%	0.062	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.5	123.5	161.6	0	0	0	0	0	109.1	P181 E685	G179-P181 WeakPolarHBondContact O-CD 3.33Å; G179-E685 WeakPolarHBondContact CA-OE1 3.3Å; G179-E685 PolarHBondContact N-OE1 2.77Å
180	P	95.9	Very high	92.8	Very high	17 Å²	17	37.5 Å²	37.5	11%	0.11	21%	0.205	C	C	.	.			trans	-73.5	111.8	-171	26.5	-31	0	0	0	110.4	G217 D219 Y275	P180-G217 WeakPolarHBondContact CA-O 3.4Å; P180-D219 HydrophobicContact CB-CB 4.28Å; P180-D219 HydrophobicContact CG-CB 4.3Å; P180-Y275 HydrophobicContact CB-CE2 4.1Å; P180-Y275 WeakPolarHBondContact CD-OH 3.33Å; P180-Y275 HydrophobicContact CG-CE2 4.45Å
181	P	94.6	Very high	93.4	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.091	20%	0.197	C	C	.	.			trans	-53.7	141.8	167.1	21.4	-36.3	0	0	0	111.5	G179 G217 W218 D219 F262	G179-P181 WeakPolarHBondContact O-CD 3.33Å; P181-G217 WeakPolarHBondContact CD-O 3.45Å; P181-W218 WeakPolarHBondContact O-CA 3.48Å; P181-D219 PolarHBondContact O-N 3.32Å; P181-F262 HydrophobicContact CG-CE2 4.1Å; P181-F262 HydrophobicContact CG-CZ 4.32Å
182	Y	92.8	Very high	94.1	Very high	41 Å²	41	30.3 Å²	30.3	16%	0.161	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-82.6	126	-174.3	-169.1	-85.4	0	0	0	110.5	N184 D219 H221 G222 P224 I225 Q258 I661	Y182-N184 HydrophobicContact CD1-CB 3.62Å; Y182-N184 WeakPolarHBondContact CD1-ND2 3.45Å; Y182-N184 HydrophobicContact CE1-CB 3.67Å; Y182-N184 PolarHBondContact O-N 3.2Å; Y182-D219 WeakPolarHBondContact CA-O 3.45Å; Y182-D219 HydrophobicContact CD2-CB 3.85Å; Y182-H221 WeakPolarHBondContact CE2-O 3.44Å; Y182-H221 PolarHBondContact OH-O 3.07Å; Y182-G222 PolarHBondContact OH-O 3.46Å; Y182-P224 HydrophobicContact CE1-CB 3.7Å; Y182-P224 HydrophobicContact CE1-CG 3.92Å; Y182-P224 VanDerWaalsContact OH-CD 3.26Å; Y182-P224 WeakPolarHBondContact OH-CD 3.48Å; Y182-I225 HydrophobicContact CD1-CD1 4.28Å; Y182-I225 HydrophobicContact CD1-CG1 4.44Å; Y182-I225 HydrophobicContact CE1-CD1 3.72Å; Y182-I225 HydrophobicContact CE1-CG1 3.65Å; Y182-I225 HydrophobicContact CE2-CD1 4.49Å; Y182-I225 PolarHBondContact OH-N 3.28Å; Y182-Q258 PolarHBondContact O-NE2 2.84Å; Y182-I661 HydrophobicContact CE2-CD1 4.05Å
183	A	93.4	Very high	94.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-77.9	47.6	-165.8	0	0	0	0	0	114.4	W218 D219 I225 A251 A254 I255	A183-W218 HydrophobicContact CB-CB 4.42Å; A183-D219 PolarHBondContact N-O 2.79Å; A183-I225 HydrophobicContact CB-CD1 3.96Å; A183-I225 WeakPolarHBondContact O-CG1 3.36Å; A183-A251 HydrophobicContact CB-CB 4.11Å; A183-A254 VanDerWaalsContact O-CB 3.29Å; A183-A254 WeakPolarHBondContact O-CB 3.3Å; A183-I255 HydrophobicContact CB-CD1 4.23Å; A183-I255 HydrophobicContact CB-CG1 3.87Å
184	N	88.3	Confident	94.5	Very high	35 Å²	35	19.5 Å²	19.5	19%	0.187	11%	0.108	C	C	.	.	S	Bend	trans	-107.7	1.6	-172.2	81.1	39.4	0	0	0	116.4	Y182 I225 K228 F250	Y182-N184 HydrophobicContact CD1-CB 3.62Å; Y182-N184 WeakPolarHBondContact CD1-ND2 3.45Å; Y182-N184 HydrophobicContact CE1-CB 3.67Å; Y182-N184 PolarHBondContact O-N 3.2Å; N184-I225 HydrophobicContact CB-CG1 3.89Å; N184-K228 HydrophobicContact CB-CD 4.14Å; N184-K228 WeakPolarHBondContact O-CD 3.49Å; N184-K228 WeakPolarHBondContact O-CE 3.47Å; N184-K228 PolarHBondContact O-NZ 3.01Å; N184-K228 PolarHBondContact OD1-NZ 3.46Å; N184-F250 WeakPolarHBondContact O-CE1 3.47Å; N184-F250 WeakPolarHBondContact O-CZ 3.35Å
185	G	87.8	Confident	94.7	Very high	7 Å²	7	18.9 Å²	18.9	7%	0.072	11%	0.106	C	C	.	.	S	Bend	trans	161.3	-160.2	-177	0	0	0	0	0	113.5	Q258	G185-Q258 WeakPolarHBondContact O-CG 3.34Å; G185-Q258 PolarHBondContact O-NE2 3.12Å
186	D	90.9	Very high	94.8	Very high	78 Å²	78	18.1 Å²	18.1	42%	0.417	10%	0.1	S	C	.	.			trans	-79.6	154.2	-165.2	-38	-65.2	0	0	0	112.3	R257	D186-R257 IonicContact OD1-CZ 3.28Å; D186-R257 IonicContact OD1-NE 2.89Å; D186-R257 PolarHBondContact OD1-NE 3.3Å; D186-R257 IonicContact OD1-NH2 2.74Å; D186-R257 PolarHBondContact OD1-NH2 2.93Å
187	P	93.3	Very high	94.8	Very high	17 Å²	17	19.1 Å²	19.1	11%	0.11	11%	0.106	C	C	.	.			trans	-54.4	163.1	173.1	-27.3	35.9	0	0	0	114.1	Q258 A261 W265	P187-Q258 HydrophobicContact CG-CG 4.2Å; P187-A261 HydrophobicContact CB-CB 4.32Å; P187-A261 HydrophobicContact CG-CB 3.59Å; P187-W265 HydrophobicContact CB-CH2 3.92Å; P187-W265 HydrophobicContact CB-CZ2 3.85Å
188	H	92.4	Very high	94.8	Very high	91 Å²	91	19 Å²	19	42%	0.421	11%	0.105	S	C	.	.			trans	-152.4	166.5	172.9	55.8	52.2	0	0	0	109.7	G190 H191 A192	H188-G190 PolarHBondContact ND1-N 2.82Å; H188-G190 PolarHBondContact O-N 3.18Å; H188-H191 AromaticContact CD2-CE1 3.78Å; H188-H191 AromaticContact CD2-ND1 3.65Å; H188-H191 AromaticContact CE1-CE1 3.43Å; H188-H191 PolarHBondContact CE1-CE1 3.05Å; H188-H191 VanDerWaalsContact CE1-CE1 3.43Å; H188-H191 AromaticContact CE1-CG 3.82Å; H188-H191 AromaticContact CE1-ND1 3.22Å; H188-H191 PolarHBondContact CE1-ND1 2.98Å; H188-H191 AromaticContact CG-ND1 3.56Å; H188-H191 PolarHBondContact N-ND1 3.14Å; H188-H191 AromaticContact ND1-CE1 3.94Å; H188-H191 AromaticContact ND1-CG 3.88Å; H188-H191 PolarHBondContact ND1-N 3.15Å; H188-H191 AromaticContact ND1-ND1 3.29Å; H188-H191 PolarHBondContact ND1-ND1 2.94Å; H188-H191 AromaticContact NE2-CE1 3.31Å; H188-H191 PolarHBondContact NE2-CE1 3.03Å; H188-H191 VanDerWaalsContact NE2-CE1 3.31Å; H188-H191 AromaticContact NE2-ND1 3.46Å; H188-H191 PolarHBondContact NE2-ND1 3.48Å; H188-H191 WeakPolarHBondContact O-CA 3.22Å; H188-H191 WeakPolarHBondContact O-CB 3.05Å; H188-H191 PolarHBondContact O-N 3.43Å; H188-A192 PolarHBondContact O-N 2.77Å
189	V	93.8	Very high	94.9	Very high	3 Å²	3	19 Å²	19	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-55.2	-26.5	-176.1	-71.8	0	0	0	0	115	A192 L193 A719 M727 V735 P737 I740 W760 I772	V189-A192 PolarHBondContact O-N 3.17Å; V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.84Å; V189-A719 HydrophobicContact CB-CB 4.28Å; V189-A719 HydrophobicContact CG2-CB 3.77Å; V189-M727 HydrophobicContact CG2-CE 3.42Å; V189-M727 VanDerWaalsContact CG2-CE 3.42Å; V189-M727 HydrophobicContact CG2-SD 4.11Å; V189-V735 HydrophobicContact CG1-CB 4.3Å; V189-V735 HydrophobicContact CG1-CG1 4.46Å; V189-V735 WeakPolarHBondContact CG1-O 3.34Å; V189-P737 HydrophobicContact CG1-CG 4.06Å; V189-I740 HydrophobicContact CG1-CD1 4.02Å; V189-W760 HydrophobicContact CB-CH2 4.13Å; V189-W760 HydrophobicContact CB-CZ3 4.45Å; V189-I772 HydrophobicContact CB-CD1 4.32Å; V189-I772 HydrophobicContact CG1-CD1 3.71Å; V189-I772 HydrophobicContact CG2-CG2 4.22Å
190	G	93.9	Very high	95	Very high	21 Å²	21	19 Å²	19	22%	0.216	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-34.4	168.9	0	0	0	0	0	114.9	H188 N194	H188-G190 PolarHBondContact ND1-N 2.82Å; H188-G190 PolarHBondContact O-N 3.18Å; G190-N194 WeakPolarHBondContact O-CB 3.47Å; G190-N194 PolarHBondContact O-N 3.06Å; G190-N194 VanDerWaalsContact O-N 3.14Å
191	H	96.1	Very high	95.1	Very high	33 Å²	33	19.6 Å²	19.6	15%	0.153	10%	0.104	C	C	.	.	H	α-helix	trans	-71.9	-36.9	171.7	-67.4	117.9	0	0	0	110.8	H188 N194 K195 F262 W265	H188-H191 AromaticContact CD2-CE1 3.78Å; H188-H191 AromaticContact CD2-ND1 3.65Å; H188-H191 AromaticContact CE1-CE1 3.43Å; H188-H191 PolarHBondContact CE1-CE1 3.05Å; H188-H191 VanDerWaalsContact CE1-CE1 3.43Å; H188-H191 AromaticContact CE1-CG 3.82Å; H188-H191 AromaticContact CE1-ND1 3.22Å; H188-H191 PolarHBondContact CE1-ND1 2.98Å; H188-H191 AromaticContact CG-ND1 3.56Å; H188-H191 PolarHBondContact N-ND1 3.14Å; H188-H191 AromaticContact ND1-CE1 3.94Å; H188-H191 AromaticContact ND1-CG 3.88Å; H188-H191 PolarHBondContact ND1-N 3.15Å; H188-H191 AromaticContact ND1-ND1 3.29Å; H188-H191 PolarHBondContact ND1-ND1 2.94Å; H188-H191 AromaticContact NE2-CE1 3.31Å; H188-H191 PolarHBondContact NE2-CE1 3.03Å; H188-H191 VanDerWaalsContact NE2-CE1 3.31Å; H188-H191 AromaticContact NE2-ND1 3.46Å; H188-H191 PolarHBondContact NE2-ND1 3.48Å; H188-H191 WeakPolarHBondContact O-CA 3.22Å; H188-H191 WeakPolarHBondContact O-CB 3.05Å; H188-H191 PolarHBondContact O-N 3.43Å; H191-N194 PolarHBondContact O-N 3.22Å; H191-K195 WeakPolarHBondContact O-CB 3.28Å; H191-K195 WeakPolarHBondContact O-CG 3.19Å; H191-K195 PolarHBondContact O-N 3.36Å; H191-F262 HydrophobicContact CB-CE1 4.12Å; H191-W265 HydrophobicContact CB-CH2 3.97Å; H191-W265 HydrophobicContact CB-CZ3 4.3Å
192	A	96.9	Very high	95.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.2	-51.3	175	0	0	0	0	0	111.3	H188 V189 N194 K195 I196 W265 P737 L757	H188-A192 PolarHBondContact O-N 2.77Å; V189-A192 PolarHBondContact O-N 3.17Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 3.3Å; A192-K195 PolarHBondContact O-N 2.86Å; A192-I196 HydrophobicContact CB-CD1 4.15Å; A192-I196 WeakPolarHBondContact O-CB 3.24Å; A192-I196 WeakPolarHBondContact O-CD1 3.21Å; A192-I196 VanDerWaalsContact O-CG1 3.27Å; A192-I196 WeakPolarHBondContact O-CG1 3.27Å; A192-I196 PolarHBondContact O-N 3.01Å; A192-W265 HydrophobicContact CB-CE3 4.24Å; A192-W265 HydrophobicContact CB-CH2 3.92Å; A192-W265 HydrophobicContact CB-CZ2 4.24Å; A192-W265 HydrophobicContact CB-CZ3 3.93Å; A192-P737 HydrophobicContact CB-CG 4.29Å; A192-L757 HydrophobicContact CB-CD1 4.26Å; A192-L757 HydrophobicContact CB-CD2 4.09Å; A192-L757 HydrophobicContact CB-CG 4.38Å
193	L	96.8	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-48.9	-52	171.9	176.5	60.7	0	0	0	111.5	V189 L197 W760 V761 V766 V770	V189-L193 WeakPolarHBondContact O-CB 3.37Å; V189-L193 PolarHBondContact O-N 2.84Å; L193-L197 HydrophobicContact CD1-CD1 3.79Å; L193-L197 HydrophobicContact CD1-CG 4.43Å; L193-L197 HydrophobicContact CG-CD1 4.34Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 WeakPolarHBondContact O-CD1 3.38Å; L193-L197 WeakPolarHBondContact O-CG 3.41Å; L193-L197 PolarHBondContact O-N 3.12Å; L193-W760 HydrophobicContact CB-CH2 4.29Å; L193-V761 HydrophobicContact CD1-CG1 4.11Å; L193-V766 HydrophobicContact CD1-CG1 4.42Å; L193-V770 HydrophobicContact CD1-CG2 4.23Å; L193-V770 HydrophobicContact CD2-CB 4.25Å; L193-V770 HydrophobicContact CD2-CG2 3.91Å
194	N	97.4	Very high	95.7	Very high	14 Å²	14	17 Å²	17	8%	0.075	9%	0.092	C	C	.	.	H	α-helix	trans	-62.2	-57.3	-179.5	-178.1	-97.9	0	0	0	113.6	G190 H191 A192 L197 K198 V684 E685 H716	G190-N194 WeakPolarHBondContact O-CB 3.47Å; G190-N194 PolarHBondContact O-N 3.06Å; G190-N194 VanDerWaalsContact O-N 3.14Å; H191-N194 PolarHBondContact O-N 3.22Å; A192-N194 VanDerWaalsContact C-N 3.31Å; A192-N194 PolarHBondContact O-N 3.3Å; N194-L197 PolarHBondContact O-N 3.42Å; N194-K198 WeakPolarHBondContact O-CG 3.17Å; N194-K198 PolarHBondContact O-N 2.81Å; N194-K198 VanDerWaalsContact OD1-CE 3.32Å; N194-K198 WeakPolarHBondContact OD1-CE 3.26Å; N194-K198 PolarHBondContact OD1-NZ 3.02Å; N194-V684 PolarHBondContact ND2-O 3.19Å; N194-V684 VanDerWaalsContact ND2-O 3.13Å; N194-E685 PolarHBondContact ND2-OE2 3.34Å; N194-H716 PolarHBondContact ND2-NE2 3.19Å; N194-H716 VanDerWaalsContact ND2-NE2 3.15Å
195	K	98.3	Very high	96.2	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-71.1	-34.1	-172.1	-65	-70.4	179.3	176	0	112.5	D178 H191 A192 K198 D199 F262 W265 V267	D178-K195 IonicContact OD1-NZ 3.03Å; D178-K195 PolarHBondContact OD1-NZ 3.49Å; D178-K195 IonicContact OD2-NZ 3.49Å; D178-K195 PolarHBondContact OD2-NZ 2.7Å; H191-K195 WeakPolarHBondContact O-CB 3.28Å; H191-K195 WeakPolarHBondContact O-CG 3.19Å; H191-K195 PolarHBondContact O-N 3.36Å; A192-K195 PolarHBondContact O-N 2.86Å; K195-K198 HydrophobicContact CD-CD 4.5Å; K195-K198 PolarHBondContact O-N 3.48Å; K195-D199 WeakPolarHBondContact O-CB 3.49Å; K195-D199 PolarHBondContact O-N 2.83Å; K195-F262 HydrophobicContact CD-CD2 4.33Å; K195-F262 HydrophobicContact CD-CE2 4.32Å; K195-F262 HydrophobicContact CG-CD1 4.2Å; K195-F262 HydrophobicContact CG-CD2 4.4Å; K195-F262 HydrophobicContact CG-CE1 4.18Å; K195-F262 HydrophobicContact CG-CE2 4.38Å; K195-F262 HydrophobicContact CG-CG 4.32Å; K195-F262 HydrophobicContact CG-CZ 4.27Å; K195-W265 HydrophobicContact CB-CE3 4.38Å; K195-W265 HydrophobicContact CB-CZ3 4.25Å; K195-W265 HydrophobicContact CG-CZ3 4.45Å; K195-V267 HydrophobicContact CB-CG2 4.25Å
196	I	98.6	Very high	96.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71.8	-37	177.5	-65.5	165	0	0	0	110.8	A192 K198 D199 I200 L757 R758 V761	A192-I196 HydrophobicContact CB-CD1 4.15Å; A192-I196 WeakPolarHBondContact O-CB 3.24Å; A192-I196 WeakPolarHBondContact O-CD1 3.21Å; A192-I196 VanDerWaalsContact O-CG1 3.27Å; A192-I196 WeakPolarHBondContact O-CG1 3.27Å; A192-I196 PolarHBondContact O-N 3.01Å; I196-K198 PolarHBondContact O-N 2.53Å; I196-D199 PolarHBondContact O-N 2.96Å; I196-I200 HydrophobicContact CG2-CD1 3.74Å; I196-I200 HydrophobicContact CG2-CG1 4.19Å; I196-I200 WeakPolarHBondContact O-CB 3.17Å; I196-I200 VanDerWaalsContact O-CG1 3.24Å; I196-I200 WeakPolarHBondContact O-CG1 3.5Å; I196-I200 PolarHBondContact O-N 2.79Å; I196-L757 HydrophobicContact CD1-CD2 4.19Å; I196-L757 HydrophobicContact CD1-CG 4.04Å; I196-R758 HydrophobicContact CD1-CG 3.82Å; I196-R758 HydrophobicContact CG1-CG 4.13Å; I196-R758 HydrophobicContact CG2-CB 4.05Å; I196-R758 HydrophobicContact CG2-CG 3.89Å; I196-V761 HydrophobicContact CB-CB 4.28Å; I196-V761 HydrophobicContact CB-CG1 3.96Å; I196-V761 HydrophobicContact CB-CG2 4.18Å; I196-V761 HydrophobicContact CD1-CG2 3.97Å; I196-V761 HydrophobicContact CG2-CB 3.92Å; I196-V761 HydrophobicContact CG2-CG1 3.75Å; I196-V761 HydrophobicContact CG2-CG2 4.29Å
197	L	97.8	Very high	96.8	Very high	21 Å²	21	12.3 Å²	12.3	11%	0.11	7%	0.065	C	C	.	.	H	α-helix	trans	-64.2	-39.2	173.7	-70.8	172.7	0	0	0	112.6	L193 N194 R201 V684 H716 V761 V766	L193-L197 HydrophobicContact CD1-CD1 3.79Å; L193-L197 HydrophobicContact CD1-CG 4.43Å; L193-L197 HydrophobicContact CG-CD1 4.34Å; L193-L197 WeakPolarHBondContact O-CB 3.48Å; L193-L197 WeakPolarHBondContact O-CD1 3.38Å; L193-L197 WeakPolarHBondContact O-CG 3.41Å; L193-L197 PolarHBondContact O-N 3.12Å; N194-L197 PolarHBondContact O-N 3.42Å; L197-R201 PolarHBondContact O-N 3.09Å; L197-V684 HydrophobicContact CB-CG1 4.47Å; L197-H716 HydrophobicContact CD1-CB 4.39Å; L197-V761 HydrophobicContact CD1-CG1 4.5Å; L197-V761 HydrophobicContact CD2-CG1 3.69Å; L197-V761 HydrophobicContact CG-CG1 3.62Å; L197-V766 HydrophobicContact CD1-CB 4.08Å; L197-V766 HydrophobicContact CD1-CG1 3.73Å; L197-V766 HydrophobicContact CD2-CG1 3.8Å; L197-V766 HydrophobicContact CG-CG1 4.38Å
198	K	98.6	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.8	-48.5	171.6	-67.3	170.9	177	171	0	110.9	L176 D178 N194 K195 I196 R201 N202 Y214 V684 E685	L176-K198 HydrophobicContact CD1-CB 4.12Å; L176-K198 HydrophobicContact CD1-CG 4.21Å; L176-K198 HydrophobicContact CD2-CB 4.16Å; L176-K198 HydrophobicContact CD2-CD 4.05Å; L176-K198 HydrophobicContact CD2-CG 3.79Å; D178-K198 WeakPolarHBondContact OD1-CD 3.48Å; D178-K198 IonicContact OD1-NZ 2.81Å; D178-K198 PolarHBondContact OD1-NZ 2.89Å; N194-K198 WeakPolarHBondContact O-CG 3.17Å; N194-K198 PolarHBondContact O-N 2.81Å; N194-K198 VanDerWaalsContact OD1-CE 3.32Å; N194-K198 WeakPolarHBondContact OD1-CE 3.26Å; N194-K198 PolarHBondContact OD1-NZ 3.02Å; K195-K198 HydrophobicContact CD-CD 4.5Å; K195-K198 PolarHBondContact O-N 3.48Å; I196-K198 PolarHBondContact O-N 2.53Å; K198-R201 PolarHBondContact O-N 2.81Å; K198-N202 WeakPolarHBondContact O-CB 3.37Å; K198-N202 PolarHBondContact O-N 3.14Å; K198-N202 PolarHBondContact O-ND2 3.36Å; K198-Y214 HydrophobicContact CB-CE2 4.33Å; K198-Y214 HydrophobicContact CD-CE2 4.07Å; K198-V684 WeakPolarHBondContact CE-O 3.24Å; K198-V684 HydrophobicContact CG-CB 4.09Å; K198-V684 HydrophobicContact CG-CG1 4.38Å; K198-E685 WeakPolarHBondContact CE-OE1 3.4Å; K198-E685 VanDerWaalsContact NZ-CD 3.26Å; K198-E685 IonicContact NZ-OE1 3.46Å; K198-E685 PolarHBondContact NZ-OE1 2.8Å; K198-E685 IonicContact NZ-OE2 2.59Å; K198-E685 PolarHBondContact NZ-OE2 3.29Å
199	D	98.7	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-43.3	179.9	-172.5	57.4	0	0	0	113.7	K195 I196 R201 N202 R203 V267 M268 R758	K195-D199 WeakPolarHBondContact O-CB 3.49Å; K195-D199 PolarHBondContact O-N 2.83Å; I196-D199 PolarHBondContact O-N 2.96Å; D199-R201 VanDerWaalsContact C-N 3.29Å; D199-R201 PolarHBondContact O-N 2.75Å; D199-N202 PolarHBondContact O-N 2.9Å; D199-R203 WeakPolarHBondContact O-CB 3.48Å; D199-R203 WeakPolarHBondContact O-CG 3.08Å; D199-R203 PolarHBondContact O-N 3.03Å; D199-R203 IonicContact OD1-NE 3.12Å; D199-R203 PolarHBondContact OD1-NE 3.43Å; D199-R203 WeakPolarHBondContact OD2-CD 3.23Å; D199-R203 IonicContact OD2-CZ 3.42Å; D199-R203 IonicContact OD2-NE 2.84Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; D199-V267 HydrophobicContact CB-CB 4.4Å; D199-V267 HydrophobicContact CB-CG1 4.18Å; D199-V267 HydrophobicContact CB-CG2 4.14Å; D199-M268 WeakPolarHBondContact OD1-CB 3.36Å; D199-M268 PolarHBondContact OD1-N 3.08Å; D199-R758 IonicContact OD2-CZ 3.22Å; D199-R758 IonicContact OD2-NH1 3.76Å; D199-R758 PolarHBondContact OD2-NH1 2.94Å; D199-R758 IonicContact OD2-NH2 3.44Å; D199-R758 PolarHBondContact OD2-NH2 2.9Å
200	I	98.6	Very high	96.9	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.036	8%	0.077	C	C	.	.	H	α-helix	trans	-55	-46.9	174.7	-72.7	163.8	0	0	0	110.2	I196 F204 A762 Y835 A840 P897 I898	I196-I200 HydrophobicContact CG2-CD1 3.74Å; I196-I200 HydrophobicContact CG2-CG1 4.19Å; I196-I200 WeakPolarHBondContact O-CB 3.17Å; I196-I200 VanDerWaalsContact O-CG1 3.24Å; I196-I200 WeakPolarHBondContact O-CG1 3.5Å; I196-I200 PolarHBondContact O-N 2.79Å; I200-F204 WeakPolarHBondContact O-CB 3.41Å; I200-F204 PolarHBondContact O-N 2.89Å; I200-F204 VanDerWaalsContact O-N 3.14Å; I200-A762 HydrophobicContact CD1-CB 4.03Å; I200-Y835 HydrophobicContact CG2-CD1 4.13Å; I200-Y835 HydrophobicContact CG2-CE1 3.72Å; I200-A840 HydrophobicContact CG2-CB 4.49Å; I200-P897 WeakPolarHBondContact CG1-O 3.26Å; I200-P897 HydrophobicContact CG2-CB 4.22Å; I200-I898 HydrophobicContact CD1-CG1 4.24Å; I200-I898 HydrophobicContact CG1-CG1 4.3Å; I200-I898 HydrophobicContact CG2-CG1 4.33Å
201	R	97.8	Very high	97	Very high	28 Å²	28	14.8 Å²	14.8	11%	0.106	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-44.3	178	179.2	64.6	-172.6	-162.6	2.7	111.9	F174 L176 L197 K198 D199 F204 E205 Y835 S836 F838	F174-R201 HydrophobicContact CE1-CG 3.81Å; F174-R201 HydrophobicContact CZ-CG 3.7Å; L176-R201 HydrophobicContact CD1-CB 4.44Å; L176-R201 HydrophobicContact CD1-CG 4.4Å; L197-R201 PolarHBondContact O-N 3.09Å; K198-R201 PolarHBondContact O-N 2.81Å; D199-R201 VanDerWaalsContact C-N 3.29Å; D199-R201 PolarHBondContact O-N 2.75Å; R201-F204 PolarHBondContact O-N 2.74Å; R201-E205 IonicContact CZ-OE1 2.7Å; R201-E205 IonicContact NE-OE1 3.65Å; R201-E205 IonicContact NH1-OE1 3.64Å; R201-E205 IonicContact NH2-OE1 2.62Å; R201-E205 PolarHBondContact NH2-OE1 3.17Å; R201-E205 PolarHBondContact O-N 3.08Å; R201-E205 VanDerWaalsContact O-N 3.1Å; R201-Y835 PolarHBondContact NH1-O 3.28Å; R201-S836 PolarHBondContact NH1-O 3.29Å; R201-F838 HydrophobicContact CB-CD1 4.41Å; R201-F838 HydrophobicContact CB-CE1 4.05Å; R201-F838 HydrophobicContact CG-CD1 4.22Å; R201-F838 HydrophobicContact CG-CE1 3.51Å; R201-F838 HydrophobicContact CG-CZ 3.91Å
202	N	98.3	Very high	97	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.2	-47.2	-179.7	-72	-16.2	0	0	0	111.8	K198 D199 F204 E205 M206 V212 Y214 M268	K198-N202 WeakPolarHBondContact O-CB 3.37Å; K198-N202 PolarHBondContact O-N 3.14Å; K198-N202 PolarHBondContact O-ND2 3.36Å; D199-N202 PolarHBondContact O-N 2.9Å; N202-F204 VanDerWaalsContact C-N 3.35Å; N202-F204 PolarHBondContact O-N 3Å; N202-E205 PolarHBondContact O-N 3.3Å; N202-M206 WeakPolarHBondContact O-CB 3.15Å; N202-M206 PolarHBondContact O-N 3.42Å; N202-V212 HydrophobicContact CB-CG1 3.94Å; N202-V212 WeakPolarHBondContact O-CG2 3.45Å; N202-Y214 WeakPolarHBondContact ND2-CB 3.38Å; N202-Y214 WeakPolarHBondContact ND2-CD1 3.4Å; N202-M268 HydrophobicContact CB-CE 4.08Å
203	R	98.1	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.5	-40.9	177.4	-71.9	178.9	179.4	-84.9	-0.1	112.1	D199 L207 G266 M268 P897 F920	D199-R203 WeakPolarHBondContact O-CB 3.48Å; D199-R203 WeakPolarHBondContact O-CG 3.08Å; D199-R203 PolarHBondContact O-N 3.03Å; D199-R203 IonicContact OD1-NE 3.12Å; D199-R203 PolarHBondContact OD1-NE 3.43Å; D199-R203 WeakPolarHBondContact OD2-CD 3.23Å; D199-R203 IonicContact OD2-CZ 3.42Å; D199-R203 IonicContact OD2-NE 2.84Å; D199-R203 PolarHBondContact OD2-NE 3.4Å; R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 VanDerWaalsContact O-CG 3.24Å; R203-L207 WeakPolarHBondContact O-CG 3.45Å; R203-L207 PolarHBondContact O-N 3.06Å; R203-G266 PolarHBondContact NH2-O 3.16Å; R203-M268 HydrophobicContact CG-CE 4.4Å; R203-P897 HydrophobicContact CB-CB 4.09Å; R203-F920 HydrophobicContact CB-CE1 4.24Å; R203-F920 HydrophobicContact CG-CE1 4.23Å
204	F	98	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.8	-50.7	174.3	170.3	-109	0	0	0	112.7	I200 R201 N202 M206 L207 R208 T832 Y835 P897 W924	I200-F204 WeakPolarHBondContact O-CB 3.41Å; I200-F204 PolarHBondContact O-N 2.89Å; I200-F204 VanDerWaalsContact O-N 3.14Å; R201-F204 PolarHBondContact O-N 2.74Å; N202-F204 VanDerWaalsContact C-N 3.35Å; N202-F204 PolarHBondContact O-N 3Å; F204-M206 PolarHBondContact O-N 3.35Å; F204-L207 PolarHBondContact O-N 2.66Å; F204-R208 HydrophobicContact CD2-CG 4.46Å; F204-R208 HydrophobicContact CE2-CG 4.16Å; F204-R208 HydrophobicContact CZ-CG 4.32Å; F204-R208 WeakPolarHBondContact O-CG 3.47Å; F204-R208 PolarHBondContact O-N 2.92Å; F204-T832 HydrophobicContact CE2-CG2 4.21Å; F204-T832 HydrophobicContact CZ-CG2 4.13Å; F204-T832 WeakPolarHBondContact CZ-O 3.33Å; F204-Y835 HydrophobicContact CB-CD1 4.38Å; F204-Y835 HydrophobicContact CB-CG 4.44Å; F204-Y835 VanDerWaalsContact CD2-CB 3.47Å; F204-Y835 HydrophobicContact CD2-CD1 4.41Å; F204-Y835 AromaticContact CD2-CD2 3.79Å; F204-Y835 HydrophobicContact CD2-CD2 3.79Å; F204-Y835 AromaticContact CD2-CG 3.67Å; F204-Y835 HydrophobicContact CD2-CG 3.67Å; F204-Y835 AromaticContact CE2-CD2 3.97Å; F204-Y835 HydrophobicContact CE2-CD2 3.97Å; F204-Y835 AromaticContact CE2-CG 3.96Å; F204-Y835 HydrophobicContact CE2-CG 3.96Å; F204-Y835 HydrophobicContact CG-CD1 4.39Å; F204-Y835 AromaticContact CG-CG 3.99Å; F204-Y835 HydrophobicContact CG-CG 3.99Å; F204-Y835 VanDerWaalsContact CZ-CB 3.48Å; F204-P897 HydrophobicContact CB-CG 4.27Å; F204-W924 HydrophobicContact CD2-CD2 4.4Å; F204-W924 HydrophobicContact CD2-CE3 4.37Å; F204-W924 AromaticContact CD2-CH2 3.81Å; F204-W924 HydrophobicContact CD2-CH2 3.81Å; F204-W924 AromaticContact CD2-CZ2 3.82Å; F204-W924 HydrophobicContact CD2-CZ2 3.82Å; F204-W924 HydrophobicContact CD2-CZ3 4.09Å; F204-W924 HydrophobicContact CE2-CD2 4.44Å; F204-W924 AromaticContact CE2-CE2 3.85Å; F204-W924 HydrophobicContact CE2-CH2 4.21Å; F204-W924 AromaticContact CE2-CZ2 3.72Å; F204-W924 HydrophobicContact CE2-CZ2 3.72Å
205	E	97.4	Very high	96.8	Very high	18 Å²	18	14.2 Å²	14.2	8%	0.084	7%	0.07	C	C	.	.	H	α-helix	trans	-66.2	-37.9	180	-70.1	-66.7	163.8	0	0	112.1	F174 R201 N202 R208 G209 C210 V212	F174-E205 HydrophobicContact CB-CB 4.16Å; F174-E205 HydrophobicContact CB-CG 4.33Å; F174-E205 HydrophobicContact CD1-CB 3.98Å; F174-E205 HydrophobicContact CD1-CG 3.85Å; F174-E205 HydrophobicContact CD2-CG 4.07Å; F174-E205 HydrophobicContact CE1-CG 4.15Å; F174-E205 HydrophobicContact CE2-CG 4.36Å; F174-E205 HydrophobicContact CG-CB 4.06Å; F174-E205 HydrophobicContact CG-CG 3.81Å; F174-E205 HydrophobicContact CZ-CG 4.41Å; R201-E205 IonicContact CZ-OE1 2.7Å; R201-E205 IonicContact NE-OE1 3.65Å; R201-E205 IonicContact NH1-OE1 3.64Å; R201-E205 IonicContact NH2-OE1 2.62Å; R201-E205 PolarHBondContact NH2-OE1 3.17Å; R201-E205 PolarHBondContact O-N 3.08Å; R201-E205 VanDerWaalsContact O-N 3.1Å; N202-E205 PolarHBondContact O-N 3.3Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.8Å; E205-G209 PolarHBondContact O-N 3.05Å; E205-C210 HydrophobicContact CB-CB 4.2Å; E205-C210 VanDerWaalsContact O-CB 3.31Å; E205-C210 WeakPolarHBondContact O-CB 3.46Å; E205-C210 PolarHBondContact O-N 3.1Å; E205-C210 PolarHBondContact OE2-SG 3.18Å; E205-V212 HydrophobicContact CB-CG2 4.31Å
206	M	96.2	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.9	-45.2	174.7	-179.7	-168.4	63	0	0	112.8	L161 Q165 R168 N202 F204 R208 G209 C210 V212 M268 F920	L161-M206 HydrophobicContact CD1-CE 4.2Å; L161-M206 HydrophobicContact CD1-SD 4.18Å; L161-M206 HydrophobicContact CD2-CE 4.22Å; L161-M206 HydrophobicContact CG-CE 4.35Å; L161-M206 HydrophobicContact CG-SD 4.31Å; Q165-M206 HydrophobicContact CB-CG 4.02Å; Q165-M206 HydrophobicContact CB-SD 3.81Å; Q165-M206 HydrophobicContact CG-CG 4.17Å; Q165-M206 HydrophobicContact CG-SD 3.73Å; R168-M206 PolarHBondContact NH1-O 3.05Å; N202-M206 WeakPolarHBondContact O-CB 3.15Å; N202-M206 PolarHBondContact O-N 3.42Å; F204-M206 PolarHBondContact O-N 3.35Å; M206-R208 VanDerWaalsContact C-N 3.29Å; M206-R208 PolarHBondContact O-N 2.89Å; M206-G209 PolarHBondContact O-N 2.89Å; M206-C210 WeakPolarHBondContact CA-O 3.24Å; M206-V212 HydrophobicContact CB-CG2 3.96Å; M206-M268 HydrophobicContact CB-CE 4.36Å; M206-M268 HydrophobicContact CE-CE 4.32Å; M206-M268 HydrophobicContact CE-SD 3.77Å; M206-M268 HydrophobicContact SD-CE 3.9Å; M206-M268 HydrophobicContact SD-SD 3.43Å; M206-F920 HydrophobicContact CE-CB 3.75Å; M206-F920 HydrophobicContact CE-CD1 3.67Å; M206-F920 HydrophobicContact CE-CG 4.01Å
207	L	95.9	Very high	96.8	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-63.5	-37.5	176.2	-72.7	166.8	0	0	0	110.8	R203 F204 G209 A896 P897 L919 F920 G923 W924	R203-L207 WeakPolarHBondContact O-CB 3.31Å; R203-L207 WeakPolarHBondContact O-CD1 3.34Å; R203-L207 VanDerWaalsContact O-CG 3.24Å; R203-L207 WeakPolarHBondContact O-CG 3.45Å; R203-L207 PolarHBondContact O-N 3.06Å; F204-L207 PolarHBondContact O-N 2.66Å; L207-G209 PolarHBondContact O-N 3.48Å; L207-G209 VanDerWaalsContact O-N 3.12Å; L207-A896 HydrophobicContact CD1-CB 4.44Å; L207-P897 HydrophobicContact CD1-CG 4.12Å; L207-L919 HydrophobicContact CD2-CD2 4.33Å; L207-F920 HydrophobicContact CD1-CD1 4.16Å; L207-F920 HydrophobicContact CD1-CE1 4.14Å; L207-F920 HydrophobicContact CD2-CD1 3.97Å; L207-F920 HydrophobicContact CG-CD1 4.15Å; L207-G923 CarbonylContact O-C 3.55Å; L207-G923 WeakPolarHBondContact O-CA 3.31Å; L207-W924 HydrophobicContact CB-CB 4.22Å; L207-W924 HydrophobicContact CB-CE3 3.7Å; L207-W924 HydrophobicContact CD1-CE3 3.74Å; L207-W924 HydrophobicContact CD1-CZ3 3.79Å; L207-W924 HydrophobicContact CG-CE3 4.34Å; L207-W924 PolarHBondContact O-N 2.74Å
208	R	94.2	Very high	96.8	Very high	116 Å²	116	13.1 Å²	13.1	44%	0.438	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-0	172.6	-74.5	-169.3	66.5	173.5	7.2	114.8	F204 E205 M206 S836 W924	F204-R208 HydrophobicContact CD2-CG 4.46Å; F204-R208 HydrophobicContact CE2-CG 4.16Å; F204-R208 HydrophobicContact CZ-CG 4.32Å; F204-R208 WeakPolarHBondContact O-CG 3.47Å; F204-R208 PolarHBondContact O-N 2.92Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.8Å; M206-R208 VanDerWaalsContact C-N 3.29Å; M206-R208 PolarHBondContact O-N 2.89Å; R208-S836 PolarHBondContact NH1-OG 2.85Å; R208-W924 HydrophobicContact CG-CB 4.1Å; R208-W924 HydrophobicContact CG-CD2 4.39Å; R208-W924 HydrophobicContact CG-CG 3.92Å
209	G	93.3	Very high	96.7	Very high	28 Å²	28	13.6 Å²	13.6	29%	0.289	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	11.8	175.3	0	0	0	0	0	114.8	E205 M206 L207	E205-G209 PolarHBondContact O-N 3.05Å; M206-G209 PolarHBondContact O-N 2.89Å; L207-G209 PolarHBondContact O-N 3.48Å; L207-G209 VanDerWaalsContact O-N 3.12Å
210	C	94.3	Very high	96.5	Very high	13 Å²	13	13.6 Å²	13.6	9%	0.088	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-77.3	141.3	166	-59.9	0	0	0	0	109.4	K172 F174 E205 M206	K172-C210 HydrophobicContact CB-CB 4.49Å; K172-C210 WeakPolarHBondContact O-CA 3.37Å; F174-C210 HydrophobicContact CB-CB 4.16Å; E205-C210 HydrophobicContact CB-CB 4.2Å; E205-C210 VanDerWaalsContact O-CB 3.31Å; E205-C210 WeakPolarHBondContact O-CB 3.46Å; E205-C210 PolarHBondContact O-N 3.1Å; E205-C210 PolarHBondContact OE2-SG 3.18Å; M206-C210 WeakPolarHBondContact CA-O 3.24Å
211	Q	94.9	Very high	96.3	Very high	27 Å²	27	13.3 Å²	13.3	13%	0.126	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.3	162.2	172.3	171.2	100.4	0	0	108.8	Q165 R166 R168 A170 K172 K173 F174	Q165-Q211 PolarHBondContact O-NE2 3.37Å; R166-Q211 PolarHBondContact O-NE2 2.95Å; R168-Q211 PolarHBondContact O-NE2 3.24Å; A170-Q211 HydrophobicContact CB-CB 3.84Å; K172-Q211 PolarHBondContact O-N 2.81Å; K173-Q211 CarbonylContact C-O 3.53Å; K173-Q211 VanDerWaalsContact CA-O 3.25Å; K173-Q211 WeakPolarHBondContact CA-O 3.35Å; F174-Q211 PolarHBondContact N-O 2.79Å
212	V	95.8	Very high	95.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.5	-179.5	178.1	0	0	0	0	110.3	Q165 R166 F174 N202 E205 M206	Q165-V212 PolarHBondContact NE2-O 2.98Å; R166-V212 WeakPolarHBondContact CD-O 3.5Å; F174-V212 CarbonylContact O-C 3.59Å; F174-V212 WeakPolarHBondContact O-CA 3.4Å; N202-V212 HydrophobicContact CB-CG1 3.94Å; N202-V212 WeakPolarHBondContact O-CG2 3.45Å; E205-V212 HydrophobicContact CB-CG2 4.31Å; M206-V212 HydrophobicContact CB-CG2 3.96Å
213	H	94.9	Very high	95.1	Very high	15 Å²	15	12.8 Å²	12.8	7%	0.069	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108	166	-170.7	-84.3	0	0	0	108	R166 F174 C175 L176 I215	R166-H213 PolarHBondContact NH1-CD2 3Å; F174-H213 PolarHBondContact O-N 3.12Å; C175-H213 WeakPolarHBondContact CA-O 3.37Å; C175-H213 HydrophobicContact CB-CB 4.15Å; L176-H213 PolarHBondContact N-O 3.39Å; H213-I215 VanDerWaalsContact CE1-CD1 3.5Å; H213-I215 WeakPolarHBondContact CE1-CD1 3.44Å
214	Y	97.2	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.			trans	-145.6	98.2	177.4	177	-121.4	0	0	0	109.5	L176 D178 K198 N202 V267 M268 A269 D270	L176-Y214 HydrophobicContact CB-CD2 4.26Å; L176-Y214 HydrophobicContact CD2-CD2 3.71Å; L176-Y214 HydrophobicContact CD2-CE2 3.7Å; L176-Y214 WeakPolarHBondContact O-CD2 3.28Å; D178-Y214 HydrophobicContact CB-CD2 4.31Å; D178-Y214 HydrophobicContact CB-CE2 3.63Å; D178-Y214 PolarHBondContact OD1-OH 3.48Å; K198-Y214 HydrophobicContact CB-CE2 4.33Å; K198-Y214 HydrophobicContact CD-CE2 4.07Å; N202-Y214 WeakPolarHBondContact ND2-CB 3.38Å; N202-Y214 WeakPolarHBondContact ND2-CD1 3.4Å; Y214-V267 HydrophobicContact CE1-CG1 4.12Å; Y214-M268 WeakPolarHBondContact CD1-O 3.48Å; Y214-A269 HydrophobicContact CD1-CB 3.44Å; Y214-A269 VanDerWaalsContact CD1-CB 3.44Å; Y214-A269 HydrophobicContact CE1-CB 3.51Å; Y214-D270 PolarHBondContact O-N 2.89Å
215	I	96.8	Very high	94	Very high	19 Å²	19	13 Å²	13	10%	0.097	7%	0.068	C	C	.	.			trans	-102.6	116.1	178.8	-56.8	-178.3	0	0	0	107.7	D178 H213 D270 Q273 Y275 V672	D178-I215 WeakPolarHBondContact CB-O 3.39Å; H213-I215 VanDerWaalsContact CE1-CD1 3.5Å; H213-I215 WeakPolarHBondContact CE1-CD1 3.44Å; I215-D270 HydrophobicContact CB-CB 4.23Å; I215-D270 HydrophobicContact CG1-CB 3.92Å; I215-D270 HydrophobicContact CG2-CB 4.27Å; I215-Q273 WeakPolarHBondContact CG2-O 3.47Å; I215-Y275 HydrophobicContact CG2-CD1 4.08Å; I215-V672 HydrophobicContact CB-CG1 4.18Å; I215-V672 HydrophobicContact CD1-CG1 4.24Å
216	P	97.8	Very high	93.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.			trans	-65	150.4	171.2	-18.3	32.5	0	0	0	111.3	D178 W218 A269 D270 W271 C274 Y275	D178-P216 WeakPolarHBondContact OD2-CA 3.46Å; P216-W218 HydrophobicContact CB-CH2 4.33Å; P216-W218 HydrophobicContact CB-CZ3 4.1Å; P216-A269 HydrophobicContact CG-CB 3.43Å; P216-A269 VanDerWaalsContact CG-CB 3.43Å; P216-D270 WeakPolarHBondContact CD-O 3.41Å; P216-W271 HydrophobicContact CB-CE3 4.46Å; P216-W271 HydrophobicContact CB-CZ3 3.93Å; P216-W271 HydrophobicContact CG-CE3 3.86Å; P216-W271 HydrophobicContact CG-CH2 4.07Å; P216-W271 HydrophobicContact CG-CZ3 3.59Å; P216-C274 VanDerWaalsContact O-CA 3.29Å; P216-C274 WeakPolarHBondContact O-CA 3.43Å; P216-Y275 WeakPolarHBondContact O-CD1 3.24Å; P216-Y275 PolarHBondContact O-N 3.39Å
217	G	97.3	Very high	93	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	178.2	167.3	0	0	0	0	0	114	D178 P180 P181 Y275	D178-G217 PolarHBondContact OD2-N 3.43Å; P180-G217 WeakPolarHBondContact CA-O 3.4Å; P181-G217 WeakPolarHBondContact CD-O 3.45Å; G217-Y275 CarbonylContact C-O 3.6Å; G217-Y275 VanDerWaalsContact CA-CE1 3.5Å; G217-Y275 WeakPolarHBondContact CA-O 3.48Å
218	W	98.1	Very high	92.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.1	-177.1	-78.2	-92.9	0	0	0	112.4	P181 A183 P216 C220 I255 Q258 K259 F262 W271 C274 Y275 Y276 T277	P181-W218 WeakPolarHBondContact O-CA 3.48Å; A183-W218 HydrophobicContact CB-CB 4.42Å; P216-W218 HydrophobicContact CB-CH2 4.33Å; P216-W218 HydrophobicContact CB-CZ3 4.1Å; W218-C220 PolarHBondContact O-SG 3.22Å; W218-I255 HydrophobicContact CB-CD1 4.28Å; W218-I255 HydrophobicContact CB-CG1 4Å; W218-I255 HydrophobicContact CD2-CG1 4.09Å; W218-I255 HydrophobicContact CD2-CG2 4.18Å; W218-I255 HydrophobicContact CE3-CG2 4.32Å; W218-I255 HydrophobicContact CG-CD1 4.46Å; W218-I255 HydrophobicContact CG-CG1 3.69Å; W218-Q258 VanDerWaalsContact CD1-OE1 3.3Å; W218-Q258 HydrophobicContact CZ2-CB 4.29Å; W218-K259 HydrophobicContact CH2-CB 3.85Å; W218-K259 HydrophobicContact CH2-CD 4.35Å; W218-K259 HydrophobicContact CH2-CG 4.11Å; W218-K259 HydrophobicContact CZ2-CB 3.97Å; W218-F262 HydrophobicContact CZ2-CD2 4.13Å; W218-F262 AromaticContact CZ2-CE2 3.88Å; W218-F262 HydrophobicContact CZ2-CE2 3.88Å; W218-W271 HydrophobicContact CH2-CZ3 4.14Å; W218-C274 HydrophobicContact CZ3-CB 3.92Å; W218-Y275 PolarHBondContact N-O 3.29Å; W218-Y276 HydrophobicContact CB-CD1 4.11Å; W218-Y276 HydrophobicContact CD2-CE1 4.2Å; W218-Y276 HydrophobicContact CE3-CD1 4.12Å; W218-Y276 AromaticContact CE3-CE1 3.5Å; W218-Y276 HydrophobicContact CE3-CE1 3.5Å; W218-Y276 VanDerWaalsContact CE3-CE1 3.5Å; W218-Y276 HydrophobicContact CZ3-CE1 4.1Å; W218-T277 PolarHBondContact O-N 3.19Å
219	D	96.1	Very high	92.3	Very high	10 Å²	10	15.3 Å²	15.3	5%	0.053	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-90	109.3	171.2	-170.8	8.2	0	0	0	108.3	P180 P181 Y182 A183 T277	P180-D219 HydrophobicContact CB-CB 4.28Å; P180-D219 HydrophobicContact CG-CB 4.3Å; P181-D219 PolarHBondContact O-N 3.32Å; Y182-D219 WeakPolarHBondContact CA-O 3.45Å; Y182-D219 HydrophobicContact CD2-CB 3.85Å; A183-D219 PolarHBondContact N-O 2.79Å; D219-T277 HydrophobicContact CB-CG2 4.5Å; D219-T277 PolarHBondContact OD1-OG1 3.43Å
220	C	95.3	Very high	92.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.			trans	-102.4	-10.3	-165	-57.1	0	0	0	0	113	W218 I225 T277 F278 W590	W218-C220 PolarHBondContact O-SG 3.22Å; C220-I225 VanDerWaalsContact C-CD1 3.44Å; C220-I225 WeakPolarHBondContact O-CD1 3.5Å; C220-T277 PolarHBondContact N-OG1 3.11Å; C220-F278 HydrophobicContact CB-CB 4.21Å; C220-F278 HydrophobicContact CB-CD1 3.44Å; C220-F278 VanDerWaalsContact CB-CD1 3.44Å; C220-F278 HydrophobicContact CB-CE1 4.01Å; C220-F278 HydrophobicContact CB-CG 3.95Å; C220-W590 VanDerWaalsContact O-CZ2 3.24Å; C220-W590 WeakPolarHBondContact O-CZ2 3.45Å; C220-W590 PolarHBondContact O-NE1 2.93Å
221	H	93.8	Very high	91.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.099	C	C	.	.			trans	-104.2	165.4	-168.5	-72.5	151.1	0	0	0	114.4	Y182 T277 F278 E283 W590 V592 I661 D664	Y182-H221 WeakPolarHBondContact CE2-O 3.44Å; Y182-H221 PolarHBondContact OH-O 3.07Å; H221-T277 PolarHBondContact CE1-O 2.94Å; H221-F278 WeakPolarHBondContact NE2-CB 3.35Å; H221-E283 IonicContact CE1-OE1 3.15Å; H221-E283 IonicContact NE2-OE1 2.57Å; H221-W590 AromaticContact CD2-CE2 3.79Å; H221-W590 AromaticContact CD2-CZ2 3.83Å; H221-V592 VanDerWaalsContact CE1-CG2 3.4Å; H221-V592 WeakPolarHBondContact CE1-CG2 3.32Å; H221-I661 HydrophobicContact CB-CG2 4.3Å; H221-I661 WeakPolarHBondContact O-CG2 3.43Å; H221-D664 IonicContact CE1-OD2 3.58Å; H221-D664 IonicContact CG-OD2 2.8Å; H221-D664 IonicContact ND1-OD2 2.72Å; H221-D664 PolarHBondContact ND1-OD2 3.45Å
222	G	87.4	Confident	90.6	Very high	9 Å²	9	25.1 Å²	25.1	9%	0.093	14%	0.139	C	C	.	.	S	Bend	trans	91.7	179	165.6	0	0	0	0	0	117.4	Y182 I225 E226 W590	Y182-G222 PolarHBondContact OH-O 3.46Å; G222-I225 PolarHBondContact O-N 3.02Å; G222-E226 PolarHBondContact O-N 3.01Å; G222-W590 VanDerWaalsContact CA-O 3.3Å; G222-W590 WeakPolarHBondContact CA-O 2.9Å; G222-W590 PolarHBondContact N-O 2.93Å
223	L	83.5	Confident	89.6	Confident	9 Å²	9	29.9 Å²	29.9	5%	0.047	17%	0.165	C	C	.	.	H	α-helix	trans	-52.3	-46.3	-166.1	176.1	71.2	0	0	0	115.2	I225 E226 L227 L316	L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.11Å; L223-E226 PolarHBondContact O-N 3.02Å; L223-L227 HydrophobicContact CD1-CD1 3.76Å; L223-L227 HydrophobicContact CD1-CD2 4.15Å; L223-L227 HydrophobicContact CD1-CG 3.7Å; L223-L227 HydrophobicContact CD2-CD1 4.46Å; L223-L227 HydrophobicContact CG-CD1 3.81Å; L223-L227 HydrophobicContact CG-CG 4.16Å; L223-L227 WeakPolarHBondContact O-CB 3.34Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 3.39Å; L223-L316 HydrophobicContact CD2-CD2 4.44Å
224	P	83.8	Confident	88.7	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-69	-16.9	-178.6	-8	13.8	0	0	0	116.5	Y182 K228 W529	Y182-P224 HydrophobicContact CE1-CB 3.7Å; Y182-P224 HydrophobicContact CE1-CG 3.92Å; Y182-P224 VanDerWaalsContact OH-CD 3.26Å; Y182-P224 WeakPolarHBondContact OH-CD 3.48Å; P224-K228 WeakPolarHBondContact O-CG 3.5Å; P224-W529 HydrophobicContact CG-CH2 4.18Å; P224-W529 HydrophobicContact CG-CZ2 3.8Å
225	I	89.9	Confident	87.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-84	-48.2	167.6	-80.2	159.5	0	0	0	109.5	Y182 A183 N184 C220 G222 L223 L227 K228 A229 A247 F250 A251	Y182-I225 HydrophobicContact CD1-CD1 4.28Å; Y182-I225 HydrophobicContact CD1-CG1 4.44Å; Y182-I225 HydrophobicContact CE1-CD1 3.72Å; Y182-I225 HydrophobicContact CE1-CG1 3.65Å; Y182-I225 HydrophobicContact CE2-CD1 4.49Å; Y182-I225 PolarHBondContact OH-N 3.28Å; A183-I225 HydrophobicContact CB-CD1 3.96Å; A183-I225 WeakPolarHBondContact O-CG1 3.36Å; N184-I225 HydrophobicContact CB-CG1 3.89Å; C220-I225 VanDerWaalsContact C-CD1 3.44Å; C220-I225 WeakPolarHBondContact O-CD1 3.5Å; G222-I225 PolarHBondContact O-N 3.02Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.11Å; I225-L227 VanDerWaalsContact C-N 3.33Å; I225-L227 PolarHBondContact O-N 2.82Å; I225-K228 PolarHBondContact O-N 2.88Å; I225-A229 WeakPolarHBondContact O-CB 3.42Å; I225-A229 PolarHBondContact O-N 3.42Å; I225-A247 HydrophobicContact CG2-CB 3.99Å; I225-A247 WeakPolarHBondContact CG2-O 3.4Å; I225-F250 HydrophobicContact CG2-CD1 4.29Å; I225-A251 HydrophobicContact CD1-CB 4.29Å; I225-A251 HydrophobicContact CG2-CB 4.37Å
226	E	88.2	Confident	86.6	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-54.4	-47	-179.6	-148.5	-168.6	104.3	0	0	111.8	G222 L223 K228 A229 L230 T235 I243 R588 W590	G222-E226 PolarHBondContact O-N 3.01Å; L223-E226 PolarHBondContact O-N 3.02Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.24Å; E226-A229 PolarHBondContact O-N 3Å; E226-L230 HydrophobicContact CG-CD1 4.05Å; E226-L230 WeakPolarHBondContact O-CB 3.42Å; E226-L230 VanDerWaalsContact O-CG 3.24Å; E226-L230 WeakPolarHBondContact O-CG 3.23Å; E226-L230 PolarHBondContact O-N 3.32Å; E226-T235 WeakPolarHBondContact OE1-CG2 3.32Å; E226-I243 HydrophobicContact CG-CG2 3.53Å; E226-R588 IonicContact OE1-CZ 3.85Å; E226-R588 VanDerWaalsContact OE1-CZ 3.28Å; E226-R588 IonicContact OE1-NE 2.7Å; E226-R588 PolarHBondContact OE1-NE 3.37Å; E226-R588 VanDerWaalsContact OE1-NE 3.16Å; E226-R588 IonicContact OE1-NH2 2.77Å; E226-R588 PolarHBondContact OE1-NH2 2.77Å; E226-R588 IonicContact OE2-NE 2.76Å; E226-R588 PolarHBondContact OE2-NE 2.77Å; E226-W590 HydrophobicContact CB-CB 4.37Å; E226-W590 HydrophobicContact CG-CB 4Å; E226-W590 PolarHBondContact OE2-N 2.88Å
227	L	85.2	Confident	85.8	Confident	64 Å²	64	41.8 Å²	41.8	34%	0.335	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-32.8	177.2	-70.8	175.8	0	0	0	114	L223 I225 G231 R530	L223-L227 HydrophobicContact CD1-CD1 3.76Å; L223-L227 HydrophobicContact CD1-CD2 4.15Å; L223-L227 HydrophobicContact CD1-CG 3.7Å; L223-L227 HydrophobicContact CD2-CD1 4.46Å; L223-L227 HydrophobicContact CG-CD1 3.81Å; L223-L227 HydrophobicContact CG-CG 4.16Å; L223-L227 WeakPolarHBondContact O-CB 3.34Å; L223-L227 WeakPolarHBondContact O-CG 3.42Å; L223-L227 PolarHBondContact O-N 3.39Å; I225-L227 VanDerWaalsContact C-N 3.33Å; I225-L227 PolarHBondContact O-N 2.82Å; L227-G231 PolarHBondContact O-N 2.95Å; L227-R530 HydrophobicContact CD1-CB 3.68Å; L227-R530 HydrophobicContact CD1-CG 3.87Å
228	K	87	Confident	85.3	Confident	96 Å²	96	43.7 Å²	43.7	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-83.6	-31.6	-179.7	-70.9	-171.3	-173.4	-169.8	0	112.8	N184 P224 I225 E226 F250	N184-K228 HydrophobicContact CB-CD 4.14Å; N184-K228 WeakPolarHBondContact O-CD 3.49Å; N184-K228 WeakPolarHBondContact O-CE 3.47Å; N184-K228 PolarHBondContact O-NZ 3.01Å; N184-K228 PolarHBondContact OD1-NZ 3.46Å; P224-K228 WeakPolarHBondContact O-CG 3.5Å; I225-K228 PolarHBondContact O-N 2.88Å; E226-K228 VanDerWaalsContact C-N 3.33Å; E226-K228 PolarHBondContact O-N 3.24Å; K228-F250 HydrophobicContact CB-CD1 4.24Å; K228-F250 HydrophobicContact CB-CE1 3.55Å; K228-F250 HydrophobicContact CB-CE2 4.11Å; K228-F250 HydrophobicContact CB-CZ 3.5Å; K228-F250 VanDerWaalsContact CB-CZ 3.5Å; K228-F250 HydrophobicContact CD-CE1 3.89Å; K228-F250 HydrophobicContact CD-CZ 3.77Å; K228-F250 HydrophobicContact CG-CE1 4.4Å; K228-F250 HydrophobicContact CG-CZ 4.31Å
229	A	88.6	Confident	85.1	Confident	26 Å²	26	45.9 Å²	45.9	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-70.2	-34.8	174.5	0	0	0	0	0	112.4	I225 E226 K246 A247 F250	I225-A229 WeakPolarHBondContact O-CB 3.42Å; I225-A229 PolarHBondContact O-N 3.42Å; E226-A229 PolarHBondContact O-N 3Å; A229-K246 HydrophobicContact CB-CB 4.32Å; A229-K246 WeakPolarHBondContact CB-O 3.41Å; A229-A247 HydrophobicContact CB-CB 4.45Å; A229-F250 HydrophobicContact CB-CB 3.73Å; A229-F250 HydrophobicContact CB-CG 4.15Å
230	L	87.4	Confident	84.9	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-89	-37.6	179.8	-61.6	173.4	0	0	0	112.7	E226 E232 L233 T235 L238 I243 K246	E226-L230 HydrophobicContact CG-CD1 4.05Å; E226-L230 WeakPolarHBondContact O-CB 3.42Å; E226-L230 VanDerWaalsContact O-CG 3.24Å; E226-L230 WeakPolarHBondContact O-CG 3.23Å; E226-L230 PolarHBondContact O-N 3.32Å; L230-E232 PolarHBondContact O-N 3.38Å; L230-L233 WeakPolarHBondContact O-CB 3.25Å; L230-L233 PolarHBondContact O-N 3.43Å; L230-L233 VanDerWaalsContact O-N 3.12Å; L230-T235 HydrophobicContact CD1-CG2 3.58Å; L230-L238 HydrophobicContact CD2-CD1 3.52Å; L230-I243 HydrophobicContact CD1-CG2 4.35Å; L230-K246 HydrophobicContact CD2-CB 4.49Å; L230-K246 HydrophobicContact CD2-CD 3.75Å
231	G	82.8	Confident	84.9	Confident	50 Å²	50	50.1 Å²	50.1	52%	0.515	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	57	-131.9	-178	0	0	0	0	0	112.1	L227 L233 G234	L227-G231 PolarHBondContact O-N 2.95Å; G231-L233 PolarHBondContact O-N 3.32Å; G231-G234 PolarHBondContact O-N 2.93Å
232	E	74.9	Confident	85	Confident	210 Å²	210	54.2 Å²	54.2	98%	0.981	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-69.5	-14.6	178.8	-62.7	-175.6	168	0	0	114.1	L230 G234	L230-E232 PolarHBondContact O-N 3.38Å; E232-G234 VanDerWaalsContact C-N 3.28Å; E232-G234 PolarHBondContact O-N 2.87Å
233	L	76.5	Confident	85.3	Confident	101 Å²	101	54.2 Å²	54.2	53%	0.529	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-66.4	-31.9	177.8	-170.8	65.3	0	0	0	112	L230 G231 L238	L230-L233 WeakPolarHBondContact O-CB 3.25Å; L230-L233 PolarHBondContact O-N 3.43Å; L230-L233 VanDerWaalsContact O-N 3.12Å; G231-L233 PolarHBondContact O-N 3.32Å; L233-L238 HydrophobicContact CD2-CD1 4.01Å; L233-L238 HydrophobicContact CD2-CD2 4.48Å; L233-L238 HydrophobicContact CG-CD1 4.48Å
234	G	74.4	Confident	85.9	Confident	29 Å²	29	53.8 Å²	53.8	30%	0.299	33%	0.331	S	S	.	.			trans	59.6	-163.4	-172	0	0	0	0	0	113.2	G231 E232	G231-G234 PolarHBondContact O-N 2.93Å; E232-G234 VanDerWaalsContact C-N 3.28Å; E232-G234 PolarHBondContact O-N 2.87Å
235	T	74.3	Confident	86.5	Confident	60 Å²	60	59.1 Å²	59.1	37%	0.368	36%	0.356	S	S	.	.	S	Bend	trans	-95.1	-9.2	176.6	51.1	0	0	0	0	113.3	E226 L230 G237 L238 I243	E226-T235 WeakPolarHBondContact OE1-CG2 3.32Å; L230-T235 HydrophobicContact CD1-CG2 3.58Å; T235-G237 PolarHBondContact O-N 2.75Å; T235-L238 PolarHBondContact O-N 2.86Å; T235-I243 HydrophobicContact CG2-CD1 3.92Å; T235-I243 HydrophobicContact CG2-CG1 4.5Å
236	S	76.8	Confident	86.7	Confident	111 Å²	111	62.6 Å²	62.6	78%	0.776	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	113.4	-171.9	-65	0	0	0	0	112.5
237	G	79.9	Confident	87.1	Confident	84 Å²	84	62.5 Å²	62.5	87%	0.866	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	4.9	177.7	0	0	0	0	0	115.1	T235	T235-G237 PolarHBondContact O-N 2.75Å
238	L	88.3	Confident	87.6	Confident	39 Å²	39	61.8 Å²	61.8	20%	0.204	36%	0.363	C	S	.	.			trans	-95.6	144.6	172	-59.8	178.6	0	0	0	111	L230 L233 T235 E242 I243	L230-L238 HydrophobicContact CD2-CD1 3.52Å; L233-L238 HydrophobicContact CD2-CD1 4.01Å; L233-L238 HydrophobicContact CD2-CD2 4.48Å; L233-L238 HydrophobicContact CG-CD1 4.48Å; T235-L238 PolarHBondContact O-N 2.86Å; L238-E242 HydrophobicContact CB-CB 4.4Å; L238-E242 HydrophobicContact CD2-CB 4.46Å; L238-I243 HydrophobicContact CB-CD1 4.17Å; L238-I243 HydrophobicContact CB-CG1 3.78Å; L238-I243 HydrophobicContact CD1-CG1 4.1Å
239	S	92.7	Very high	88.1	Confident	46 Å²	46	62.2 Å²	62.2	32%	0.322	37%	0.367	S	S	.	.			trans	-74.5	160	167.9	68.2	0	0	0	0	111.8	L241 E242 I243	S239-L241 PolarHBondContact O-N 3.09Å; S239-E242 WeakPolarHBondContact CB-OE2 3.27Å; S239-E242 PolarHBondContact N-OE2 3.13Å; S239-E242 PolarHBondContact O-N 2.92Å; S239-E242 WeakPolarHBondContact OG-CG 3.23Å; S239-E242 PolarHBondContact OG-N 3.07Å; S239-E242 PolarHBondContact OG-OE2 3.37Å; S239-I243 WeakPolarHBondContact O-CG1 3.5Å; S239-I243 PolarHBondContact O-N 3.18Å; S239-I243 VanDerWaalsContact O-N 3.12Å
240	P	92.9	Very high	88.4	Confident	42 Å²	42	63.9 Å²	63.9	27%	0.273	37%	0.369	S	S	.	.	H	α-helix	trans	-52.8	-36.6	173.7	-30	37.1	0	0	0	113.5	R244 W628	P240-R244 WeakPolarHBondContact O-CB 3.41Å; P240-R244 WeakPolarHBondContact O-CD 3.28Å; P240-R244 WeakPolarHBondContact O-CG 3.29Å; P240-R244 PolarHBondContact O-N 2.87Å; P240-W628 HydrophobicContact CB-CD2 3.7Å; P240-W628 HydrophobicContact CB-CE3 3.56Å; P240-W628 HydrophobicContact CB-CG 4.18Å; P240-W628 HydrophobicContact CB-CH2 4.45Å; P240-W628 HydrophobicContact CB-CZ3 3.96Å; P240-W628 HydrophobicContact CG-CD2 4.39Å; P240-W628 HydrophobicContact CG-CE3 3.73Å; P240-W628 HydrophobicContact CG-CZ3 3.86Å
241	L	95.1	Very high	88.8	Confident	57 Å²	57	63.2 Å²	63.2	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-70.9	-40.8	-179.8	-72.8	167	0	0	0	112.6	S239 I243 R244 Q245 D625 W628 E629	S239-L241 PolarHBondContact O-N 3.09Å; L241-I243 VanDerWaalsContact C-N 3.33Å; L241-I243 PolarHBondContact O-N 2.73Å; L241-R244 PolarHBondContact O-N 2.92Å; L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 PolarHBondContact O-N 3.26Å; L241-D625 HydrophobicContact CD2-CB 4.26Å; L241-W628 HydrophobicContact CD1-CB 4.34Å; L241-W628 HydrophobicContact CD2-CB 3.89Å; L241-W628 HydrophobicContact CG-CB 3.89Å; L241-E629 HydrophobicContact CD1-CG 3.64Å; L241-E629 HydrophobicContact CD2-CG 3.85Å; L241-E629 HydrophobicContact CG-CG 4.4Å
242	E	95.4	Very high	89.5	Confident	87 Å²	87	65.2 Å²	65.2	41%	0.407	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-37	175.7	-69.8	162.3	107	0	0	112.2	L238 S239 K246	L238-E242 HydrophobicContact CB-CB 4.4Å; L238-E242 HydrophobicContact CD2-CB 4.46Å; S239-E242 WeakPolarHBondContact CB-OE2 3.27Å; S239-E242 PolarHBondContact N-OE2 3.13Å; S239-E242 PolarHBondContact O-N 2.92Å; S239-E242 WeakPolarHBondContact OG-CG 3.23Å; S239-E242 PolarHBondContact OG-N 3.07Å; S239-E242 PolarHBondContact OG-OE2 3.37Å; E242-K246 VanDerWaalsContact O-CG 3.28Å; E242-K246 WeakPolarHBondContact O-CG 3.38Å; E242-K246 PolarHBondContact O-N 3.04Å
243	I	94.1	Very high	90.6	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-48.8	173.4	-68	166.5	0	0	0	110.1	E226 L230 T235 L238 S239 L241 A247	E226-I243 HydrophobicContact CG-CG2 3.53Å; L230-I243 HydrophobicContact CD1-CG2 4.35Å; T235-I243 HydrophobicContact CG2-CD1 3.92Å; T235-I243 HydrophobicContact CG2-CG1 4.5Å; L238-I243 HydrophobicContact CB-CD1 4.17Å; L238-I243 HydrophobicContact CB-CG1 3.78Å; L238-I243 HydrophobicContact CD1-CG1 4.1Å; S239-I243 WeakPolarHBondContact O-CG1 3.5Å; S239-I243 PolarHBondContact O-N 3.18Å; S239-I243 VanDerWaalsContact O-N 3.12Å; L241-I243 VanDerWaalsContact C-N 3.33Å; L241-I243 PolarHBondContact O-N 2.73Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.42Å; I243-A247 PolarHBondContact O-N 2.81Å
244	R	95.7	Very high	91.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-40.9	-178.1	-68.3	169.6	62.7	86.2	8.1	112.5	P240 L241 A247 R248 S589 W590 G591 S624 D625	P240-R244 WeakPolarHBondContact O-CB 3.41Å; P240-R244 WeakPolarHBondContact O-CD 3.28Å; P240-R244 WeakPolarHBondContact O-CG 3.29Å; P240-R244 PolarHBondContact O-N 2.87Å; L241-R244 PolarHBondContact O-N 2.92Å; R244-A247 PolarHBondContact O-N 2.67Å; R244-R248 WeakPolarHBondContact O-CB 3.39Å; R244-R248 PolarHBondContact O-N 3.3Å; R244-S589 WeakPolarHBondContact CD-O 3.34Å; R244-S589 WeakPolarHBondContact CG-O 3.35Å; R244-S589 PolarHBondContact NH1-O 3.04Å; R244-W590 HydrophobicContact CB-CE3 3.8Å; R244-W590 HydrophobicContact CB-CZ3 4.19Å; R244-W590 HydrophobicContact CG-CE3 3.93Å; R244-W590 WeakPolarHBondContact O-CZ3 3.42Å; R244-G591 PolarHBondContact NH1-O 3.05Å; R244-S624 PolarHBondContact NH2-OG 3.25Å; R244-D625 IonicContact CZ-OD1 2.79Å; R244-D625 IonicContact NE-OD1 3.29Å; R244-D625 PolarHBondContact NE-OD1 2.95Å; R244-D625 IonicContact NH2-OD1 3.37Å; R244-D625 PolarHBondContact NH2-OD1 3.45Å
245	Q	95.7	Very high	92.7	Very high	115 Å²	115	51 Å²	51	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-53	174.9	-178.9	-177.2	-16.4	0	0	111.2	L241 A247 R248 E249	L241-Q245 WeakPolarHBondContact O-CB 3.46Å; L241-Q245 PolarHBondContact O-N 3.26Å; Q245-A247 VanDerWaalsContact C-N 3.25Å; Q245-A247 PolarHBondContact O-N 3.28Å; Q245-R248 WeakPolarHBondContact O-CB 3.43Å; Q245-R248 PolarHBondContact O-N 2.75Å; Q245-R248 VanDerWaalsContact O-N 3.14Å; Q245-E249 HydrophobicContact CG-CG 4.44Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.36Å; Q245-E249 PolarHBondContact NE2-OE1 2.85Å; Q245-E249 WeakPolarHBondContact O-CG 3.46Å; Q245-E249 PolarHBondContact O-N 2.82Å
246	K	95.4	Very high	93.8	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.317	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-40.4	178.9	-71.5	174.3	-177	-59	0	111.9	A229 L230 E242 F250	A229-K246 HydrophobicContact CB-CB 4.32Å; A229-K246 WeakPolarHBondContact CB-O 3.41Å; L230-K246 HydrophobicContact CD2-CB 4.49Å; L230-K246 HydrophobicContact CD2-CD 3.75Å; E242-K246 VanDerWaalsContact O-CG 3.28Å; E242-K246 WeakPolarHBondContact O-CG 3.38Å; E242-K246 PolarHBondContact O-N 3.04Å; K246-F250 WeakPolarHBondContact O-CB 3.43Å; K246-F250 PolarHBondContact O-N 3.44Å; K246-F250 VanDerWaalsContact O-N 3.08Å
247	A	95.6	Very high	94.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-40.5	177.8	0	0	0	0	0	112.6	I225 A229 I243 R244 Q245 A251 W590	I225-A247 HydrophobicContact CG2-CB 3.99Å; I225-A247 WeakPolarHBondContact CG2-O 3.4Å; A229-A247 HydrophobicContact CB-CB 4.45Å; I243-A247 VanDerWaalsContact O-CB 3.28Å; I243-A247 WeakPolarHBondContact O-CB 3.42Å; I243-A247 PolarHBondContact O-N 2.81Å; R244-A247 PolarHBondContact O-N 2.67Å; Q245-A247 VanDerWaalsContact C-N 3.25Å; Q245-A247 PolarHBondContact O-N 3.28Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; A247-A251 PolarHBondContact O-N 3.19Å; A247-W590 HydrophobicContact CB-CB 4.09Å; A247-W590 HydrophobicContact CB-CD2 3.41Å; A247-W590 VanDerWaalsContact CB-CD2 3.41Å; A247-W590 HydrophobicContact CB-CE3 4.05Å; A247-W590 HydrophobicContact CB-CG 3.43Å; A247-W590 VanDerWaalsContact CB-CG 3.43Å; A247-W590 HydrophobicContact CB-CZ2 4.26Å
248	R	96.3	Very high	95.6	Very high	50 Å²	50	47 Å²	47	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-62.6	-51.8	173.4	-169.8	-175.3	-68.2	-80.5	5.9	111.6	R244 Q245 F250 A251 E252 F278 W590 D625	R244-R248 WeakPolarHBondContact O-CB 3.39Å; R244-R248 PolarHBondContact O-N 3.3Å; Q245-R248 WeakPolarHBondContact O-CB 3.43Å; Q245-R248 PolarHBondContact O-N 2.75Å; Q245-R248 VanDerWaalsContact O-N 3.14Å; R248-F250 VanDerWaalsContact C-N 3.28Å; R248-F250 PolarHBondContact O-N 3Å; R248-A251 PolarHBondContact O-N 3.34Å; R248-A251 VanDerWaalsContact O-N 3.09Å; R248-E252 HydrophobicContact CG-CG 4.43Å; R248-E252 WeakPolarHBondContact CG-OE1 3.44Å; R248-E252 WeakPolarHBondContact O-CG 3.4Å; R248-E252 PolarHBondContact O-N 3.39Å; R248-F278 HydrophobicContact CG-CD1 4.25Å; R248-F278 HydrophobicContact CG-CE1 4.06Å; R248-W590 HydrophobicContact CB-CH2 3.64Å; R248-W590 HydrophobicContact CB-CZ2 4.31Å; R248-W590 HydrophobicContact CB-CZ3 4.17Å; R248-W590 HydrophobicContact CG-CH2 4.16Å; R248-D625 IonicContact CZ-OD2 3.41Å; R248-D625 IonicContact NE-OD2 3.53Å; R248-D625 IonicContact NH2-OD2 2.85Å; R248-D625 PolarHBondContact NH2-OD2 3.34Å
249	E	96.5	Very high	96	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-54.9	-42.7	178.2	-71.1	170.2	-179.6	0	0	111.9	Q245 G253	Q245-E249 HydrophobicContact CG-CG 4.44Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.36Å; Q245-E249 PolarHBondContact NE2-OE1 2.85Å; Q245-E249 WeakPolarHBondContact O-CG 3.46Å; Q245-E249 PolarHBondContact O-N 2.82Å; E249-G253 PolarHBondContact O-N 3.12Å; E249-G253 VanDerWaalsContact O-N 3.17Å
250	F	95.9	Very high	96.3	Very high	60 Å²	60	47.8 Å²	47.8	26%	0.263	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-42.5	176.6	-175.9	-94.9	0	0	0	112.8	N184 I225 K228 A229 K246 R248 G253 A254	N184-F250 WeakPolarHBondContact O-CE1 3.47Å; N184-F250 WeakPolarHBondContact O-CZ 3.35Å; I225-F250 HydrophobicContact CG2-CD1 4.29Å; K228-F250 HydrophobicContact CB-CD1 4.24Å; K228-F250 HydrophobicContact CB-CE1 3.55Å; K228-F250 HydrophobicContact CB-CE2 4.11Å; K228-F250 HydrophobicContact CB-CZ 3.5Å; K228-F250 VanDerWaalsContact CB-CZ 3.5Å; K228-F250 HydrophobicContact CD-CE1 3.89Å; K228-F250 HydrophobicContact CD-CZ 3.77Å; K228-F250 HydrophobicContact CG-CE1 4.4Å; K228-F250 HydrophobicContact CG-CZ 4.31Å; A229-F250 HydrophobicContact CB-CB 3.73Å; A229-F250 HydrophobicContact CB-CG 4.15Å; K246-F250 WeakPolarHBondContact O-CB 3.43Å; K246-F250 PolarHBondContact O-N 3.44Å; K246-F250 VanDerWaalsContact O-N 3.08Å; R248-F250 VanDerWaalsContact C-N 3.28Å; R248-F250 PolarHBondContact O-N 3Å; F250-G253 PolarHBondContact O-N 3.32Å; F250-A254 PolarHBondContact O-N 3.29Å
251	A	96.5	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-46.1	178.3	0	0	0	0	0	111.6	A183 I225 A247 R248 G253 A254 I255 F278	A183-A251 HydrophobicContact CB-CB 4.11Å; I225-A251 HydrophobicContact CD1-CB 4.29Å; I225-A251 HydrophobicContact CG2-CB 4.37Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; A247-A251 PolarHBondContact O-N 3.19Å; R248-A251 PolarHBondContact O-N 3.34Å; R248-A251 VanDerWaalsContact O-N 3.09Å; A251-G253 VanDerWaalsContact C-N 3.35Å; A251-G253 PolarHBondContact O-N 2.71Å; A251-A254 PolarHBondContact O-N 3.3Å; A251-A254 VanDerWaalsContact O-N 3.12Å; A251-I255 WeakPolarHBondContact O-CB 3.26Å; A251-I255 WeakPolarHBondContact O-CD1 3.28Å; A251-I255 VanDerWaalsContact O-CG1 3.24Å; A251-I255 WeakPolarHBondContact O-CG1 3.17Å; A251-I255 PolarHBondContact O-N 3.23Å; A251-F278 HydrophobicContact CB-CE1 4.36Å
252	E	97.4	Very high	96.6	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-44.9	175.9	-72.1	172.2	-179.2	0	0	111.8	R248 A254 I255 A256 F278	R248-E252 HydrophobicContact CG-CG 4.43Å; R248-E252 WeakPolarHBondContact CG-OE1 3.44Å; R248-E252 WeakPolarHBondContact O-CG 3.4Å; R248-E252 PolarHBondContact O-N 3.39Å; E252-A254 VanDerWaalsContact C-N 3.31Å; E252-A254 PolarHBondContact O-N 3.18Å; E252-I255 PolarHBondContact O-N 3.11Å; E252-A256 PolarHBondContact O-N 3.25Å; E252-F278 HydrophobicContact CG-CE1 4.14Å; E252-F278 HydrophobicContact CG-CZ 3.96Å
253	G	97.4	Very high	96.7	Very high	29 Å²	29	43.4 Å²	43.4	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-36.6	174.6	0	0	0	0	0	113.5	E249 F250 A251 R257	E249-G253 PolarHBondContact O-N 3.12Å; E249-G253 VanDerWaalsContact O-N 3.17Å; F250-G253 PolarHBondContact O-N 3.32Å; A251-G253 VanDerWaalsContact C-N 3.35Å; A251-G253 PolarHBondContact O-N 2.71Å; G253-R257 VanDerWaalsContact C-NH1 3.29Å; G253-R257 PolarHBondContact O-NH1 3.46Å
254	A	96.6	Very high	96.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.9	-43.5	175.4	0	0	0	0	0	112.3	A183 F250 A251 E252 A256 R257 Q258	A183-A254 VanDerWaalsContact O-CB 3.29Å; A183-A254 WeakPolarHBondContact O-CB 3.3Å; F250-A254 PolarHBondContact O-N 3.29Å; A251-A254 PolarHBondContact O-N 3.3Å; A251-A254 VanDerWaalsContact O-N 3.12Å; E252-A254 VanDerWaalsContact C-N 3.31Å; E252-A254 PolarHBondContact O-N 3.18Å; A254-A256 VanDerWaalsContact C-N 3.31Å; A254-A256 PolarHBondContact O-N 3.44Å; A254-R257 PolarHBondContact O-N 2.91Å; A254-Q258 WeakPolarHBondContact O-CG 3.43Å; A254-Q258 PolarHBondContact O-N 3.29Å
255	I	97.8	Very high	97	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.056	23%	0.228	C	C	.	.	H	α-helix	trans	-53.1	-49	174.4	-73.8	159.1	0	0	0	110.2	A183 W218 A251 E252 R257 Q258 K259 Y276 F278	A183-I255 HydrophobicContact CB-CD1 4.23Å; A183-I255 HydrophobicContact CB-CG1 3.87Å; W218-I255 HydrophobicContact CB-CD1 4.28Å; W218-I255 HydrophobicContact CB-CG1 4Å; W218-I255 HydrophobicContact CD2-CG1 4.09Å; W218-I255 HydrophobicContact CD2-CG2 4.18Å; W218-I255 HydrophobicContact CE3-CG2 4.32Å; W218-I255 HydrophobicContact CG-CD1 4.46Å; W218-I255 HydrophobicContact CG-CG1 3.69Å; A251-I255 WeakPolarHBondContact O-CB 3.26Å; A251-I255 WeakPolarHBondContact O-CD1 3.28Å; A251-I255 VanDerWaalsContact O-CG1 3.24Å; A251-I255 WeakPolarHBondContact O-CG1 3.17Å; A251-I255 PolarHBondContact O-N 3.23Å; E252-I255 PolarHBondContact O-N 3.11Å; I255-R257 PolarHBondContact O-N 2.77Å; I255-Q258 PolarHBondContact O-N 2.83Å; I255-K259 VanDerWaalsContact O-CB 3.22Å; I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 PolarHBondContact O-N 3.05Å; I255-Y276 HydrophobicContact CD1-CD1 3.69Å; I255-Y276 HydrophobicContact CD1-CE1 3.89Å; I255-Y276 HydrophobicContact CG1-CD1 4.43Å; I255-Y276 HydrophobicContact CG1-CE1 4.3Å; I255-Y276 HydrophobicContact CG2-CE1 3.62Å; I255-F278 HydrophobicContact CD1-CE1 4.32Å; I255-F278 HydrophobicContact CD1-CZ 4.22Å
256	A	97.6	Very high	97.1	Very high	58 Å²	58	39.2 Å²	39.2	48%	0.479	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-46.1	-179.2	0	0	0	0	0	112.5	E252 A254 A260	E252-A256 PolarHBondContact O-N 3.25Å; A254-A256 VanDerWaalsContact C-N 3.31Å; A254-A256 PolarHBondContact O-N 3.44Å; A256-A260 WeakPolarHBondContact O-CB 3.24Å; A256-A260 PolarHBondContact O-N 2.88Å; A256-A260 VanDerWaalsContact O-N 3.07Å
257	R	97.1	Very high	97.2	Very high	112 Å²	112	36 Å²	36	42%	0.423	19%	0.189	S	C	.	.	H	α-helix	trans	-69.5	-40.3	178.9	-61.8	-167	-51.9	-83.6	13.9	112.4	D186 G253 A254 I255 A261	D186-R257 IonicContact OD1-CZ 3.28Å; D186-R257 IonicContact OD1-NE 2.89Å; D186-R257 PolarHBondContact OD1-NE 3.3Å; D186-R257 IonicContact OD1-NH2 2.74Å; D186-R257 PolarHBondContact OD1-NH2 2.93Å; G253-R257 VanDerWaalsContact C-NH1 3.29Å; G253-R257 PolarHBondContact O-NH1 3.46Å; A254-R257 PolarHBondContact O-N 2.91Å; I255-R257 PolarHBondContact O-N 2.77Å; R257-A261 PolarHBondContact O-N 3.47Å; R257-A261 VanDerWaalsContact O-N 3.17Å
258	Q	97.7	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-46.2	176.2	-70.1	-175.3	15.9	0	0	111.8	Y182 G185 P187 W218 A254 I255 A261 F262	Y182-Q258 PolarHBondContact O-NE2 2.84Å; G185-Q258 WeakPolarHBondContact O-CG 3.34Å; G185-Q258 PolarHBondContact O-NE2 3.12Å; P187-Q258 HydrophobicContact CG-CG 4.2Å; W218-Q258 VanDerWaalsContact CD1-OE1 3.3Å; W218-Q258 HydrophobicContact CZ2-CB 4.29Å; A254-Q258 WeakPolarHBondContact O-CG 3.43Å; A254-Q258 PolarHBondContact O-N 3.29Å; I255-Q258 PolarHBondContact O-N 2.83Å; Q258-A261 PolarHBondContact O-N 3.01Å; Q258-F262 HydrophobicContact CB-CE1 4.45Å; Q258-F262 HydrophobicContact CB-CE2 4.1Å; Q258-F262 HydrophobicContact CB-CZ 3.92Å; Q258-F262 VanDerWaalsContact O-CD1 3.22Å; Q258-F262 WeakPolarHBondContact O-CD1 3.46Å; Q258-F262 WeakPolarHBondContact O-CD2 3.13Å; Q258-F262 WeakPolarHBondContact O-CG 3.24Å; Q258-F262 PolarHBondContact O-N 2.86Å
259	K	97.8	Very high	97.4	Very high	46 Å²	46	33.7 Å²	33.7	20%	0.2	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-49.4	177.5	-173.8	172.4	-177.8	171.3	0	111.8	W218 I255 A261 F262 Q263 W271	W218-K259 HydrophobicContact CH2-CB 3.85Å; W218-K259 HydrophobicContact CH2-CD 4.35Å; W218-K259 HydrophobicContact CH2-CG 4.11Å; W218-K259 HydrophobicContact CZ2-CB 3.97Å; I255-K259 VanDerWaalsContact O-CB 3.22Å; I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 PolarHBondContact O-N 3.05Å; K259-A261 PolarHBondContact O-N 3.31Å; K259-F262 PolarHBondContact O-N 3.37Å; K259-Q263 WeakPolarHBondContact O-CG 3.5Å; K259-Q263 PolarHBondContact O-N 3.16Å; K259-W271 HydrophobicContact CD-CE3 4.48Å; K259-W271 VanDerWaalsContact CE-O 3.23Å; K259-W271 WeakPolarHBondContact CE-O 3.38Å; K259-W271 HydrophobicContact CG-CE3 3.89Å; K259-W271 HydrophobicContact CG-CZ3 4.12Å; K259-W271 PolarHBondContact NZ-O 3.43Å
260	A	97.1	Very high	97.4	Very high	56 Å²	56	29.2 Å²	29.2	46%	0.463	16%	0.161	S	C	.	.	H	α-helix	trans	-59.4	-42.8	178.6	0	0	0	0	0	112.6	A256 Q263 R264	A256-A260 WeakPolarHBondContact O-CB 3.24Å; A256-A260 PolarHBondContact O-N 2.88Å; A256-A260 VanDerWaalsContact O-N 3.07Å; A260-Q263 PolarHBondContact O-N 3.33Å; A260-R264 WeakPolarHBondContact O-CB 3.47Å; A260-R264 PolarHBondContact O-N 2.65Å
261	A	97.7	Very high	97.4	Very high	17 Å²	17	27.7 Å²	27.7	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-45.3	176.1	0	0	0	0	0	112.3	P187 R257 Q258 K259 Q263 R264 W265	P187-A261 HydrophobicContact CB-CB 4.32Å; P187-A261 HydrophobicContact CG-CB 3.59Å; R257-A261 PolarHBondContact O-N 3.47Å; R257-A261 VanDerWaalsContact O-N 3.17Å; Q258-A261 PolarHBondContact O-N 3.01Å; K259-A261 PolarHBondContact O-N 3.31Å; A261-Q263 VanDerWaalsContact C-N 3.27Å; A261-Q263 PolarHBondContact O-N 3.33Å; A261-R264 PolarHBondContact O-N 3.23Å; A261-R264 VanDerWaalsContact O-N 3.1Å; A261-W265 HydrophobicContact CB-CZ2 4.11Å; A261-W265 PolarHBondContact O-N 3.12Å; A261-W265 PolarHBondContact O-NE1 3.11Å
262	F	98.1	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-38.6	178.4	-57.3	-15.3	0	0	0	111.4	P181 H191 K195 W218 Q258 K259 W265 V267 W271	P181-F262 HydrophobicContact CG-CE2 4.1Å; P181-F262 HydrophobicContact CG-CZ 4.32Å; H191-F262 HydrophobicContact CB-CE1 4.12Å; K195-F262 HydrophobicContact CD-CD2 4.33Å; K195-F262 HydrophobicContact CD-CE2 4.32Å; K195-F262 HydrophobicContact CG-CD1 4.2Å; K195-F262 HydrophobicContact CG-CD2 4.4Å; K195-F262 HydrophobicContact CG-CE1 4.18Å; K195-F262 HydrophobicContact CG-CE2 4.38Å; K195-F262 HydrophobicContact CG-CG 4.32Å; K195-F262 HydrophobicContact CG-CZ 4.27Å; W218-F262 HydrophobicContact CZ2-CD2 4.13Å; W218-F262 AromaticContact CZ2-CE2 3.88Å; W218-F262 HydrophobicContact CZ2-CE2 3.88Å; Q258-F262 HydrophobicContact CB-CE1 4.45Å; Q258-F262 HydrophobicContact CB-CE2 4.1Å; Q258-F262 HydrophobicContact CB-CZ 3.92Å; Q258-F262 VanDerWaalsContact O-CD1 3.22Å; Q258-F262 WeakPolarHBondContact O-CD1 3.46Å; Q258-F262 WeakPolarHBondContact O-CD2 3.13Å; Q258-F262 WeakPolarHBondContact O-CG 3.24Å; Q258-F262 PolarHBondContact O-N 2.86Å; K259-F262 PolarHBondContact O-N 3.37Å; F262-W265 AromaticContact CD1-CE3 3.79Å; F262-W265 HydrophobicContact CD1-CE3 3.79Å; F262-W265 AromaticContact CD1-CH2 3.66Å; F262-W265 HydrophobicContact CD1-CH2 3.66Å; F262-W265 HydrophobicContact CD1-CZ2 4.4Å; F262-W265 AromaticContact CD1-CZ3 3.29Å; F262-W265 HydrophobicContact CD1-CZ3 3.29Å; F262-W265 AromaticContact CE1-CH2 3.72Å; F262-W265 HydrophobicContact CE1-CH2 3.72Å; F262-W265 AromaticContact CE1-CZ3 3.63Å; F262-W265 HydrophobicContact CE1-CZ3 3.63Å; F262-W265 HydrophobicContact CG-CZ3 4.4Å; F262-W265 PolarHBondContact O-N 3.18Å; F262-V267 VanDerWaalsContact O-CB 3.32Å; F262-V267 WeakPolarHBondContact O-CB 3.31Å; F262-V267 WeakPolarHBondContact O-CG2 3.41Å; F262-V267 PolarHBondContact O-N 2.96Å; F262-W271 HydrophobicContact CB-CH2 3.51Å; F262-W271 HydrophobicContact CB-CZ2 4.08Å; F262-W271 HydrophobicContact CB-CZ3 4.39Å; F262-W271 HydrophobicContact CD2-CH2 4.09Å; F262-W271 HydrophobicContact CD2-CZ3 4.42Å; F262-W271 HydrophobicContact CG-CH2 4.33Å
263	Q	97.8	Very high	97	Very high	78 Å²	78	37.8 Å²	37.8	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-63.9	-46	172	-71.7	174.4	-47.1	0	0	111.8	K259 A260 A261 W265 G266 W271	K259-Q263 WeakPolarHBondContact O-CG 3.5Å; K259-Q263 PolarHBondContact O-N 3.16Å; A260-Q263 PolarHBondContact O-N 3.33Å; A261-Q263 VanDerWaalsContact C-N 3.27Å; A261-Q263 PolarHBondContact O-N 3.33Å; Q263-W265 PolarHBondContact O-N 2.72Å; Q263-G266 WeakPolarHBondContact O-CA 3.38Å; Q263-G266 PolarHBondContact O-N 2.94Å; Q263-W271 HydrophobicContact CG-CD2 3.78Å; Q263-W271 HydrophobicContact CG-CE3 4.36Å; Q263-W271 HydrophobicContact CG-CG 4.07Å; Q263-W271 HydrophobicContact CG-CZ2 3.97Å
264	R	97.4	Very high	97	Very high	30 Å²	30	37 Å²	37	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-30.6	176.9	178.2	58.8	-173.1	98.8	-7.2	113.3	E149 Q153 A260 A261 G266 I741	E149-R264 IonicContact OE2-CZ 2.74Å; E149-R264 VanDerWaalsContact OE2-CZ 3.25Å; E149-R264 IonicContact OE2-NH1 3.42Å; E149-R264 PolarHBondContact OE2-NH1 3.43Å; E149-R264 IonicContact OE2-NH2 3.4Å; E149-R264 PolarHBondContact OE2-NH2 2.84Å; Q153-R264 PolarHBondContact NE2-O 2.86Å; A260-R264 WeakPolarHBondContact O-CB 3.47Å; A260-R264 PolarHBondContact O-N 2.65Å; A261-R264 PolarHBondContact O-N 3.23Å; A261-R264 VanDerWaalsContact O-N 3.1Å; R264-G266 PolarHBondContact O-N 3.45Å; R264-I741 VanDerWaalsContact NH2-CG2 3.31Å
265	W	98	Very high	97.1	Very high	3 Å²	3	37.7 Å²	37.7	1%	0.011	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	0.2	172.5	-53.6	-13.3	0	0	0	113.6	P187 H191 A192 K195 A261 F262 Q263 V267 P737 I741 L757 R758	P187-W265 HydrophobicContact CB-CH2 3.92Å; P187-W265 HydrophobicContact CB-CZ2 3.85Å; H191-W265 HydrophobicContact CB-CH2 3.97Å; H191-W265 HydrophobicContact CB-CZ3 4.3Å; A192-W265 HydrophobicContact CB-CE3 4.24Å; A192-W265 HydrophobicContact CB-CH2 3.92Å; A192-W265 HydrophobicContact CB-CZ2 4.24Å; A192-W265 HydrophobicContact CB-CZ3 3.93Å; K195-W265 HydrophobicContact CB-CE3 4.38Å; K195-W265 HydrophobicContact CB-CZ3 4.25Å; K195-W265 HydrophobicContact CG-CZ3 4.45Å; A261-W265 HydrophobicContact CB-CZ2 4.11Å; A261-W265 PolarHBondContact O-N 3.12Å; A261-W265 PolarHBondContact O-NE1 3.11Å; F262-W265 AromaticContact CD1-CE3 3.79Å; F262-W265 HydrophobicContact CD1-CE3 3.79Å; F262-W265 AromaticContact CD1-CH2 3.66Å; F262-W265 HydrophobicContact CD1-CH2 3.66Å; F262-W265 HydrophobicContact CD1-CZ2 4.4Å; F262-W265 AromaticContact CD1-CZ3 3.29Å; F262-W265 HydrophobicContact CD1-CZ3 3.29Å; F262-W265 AromaticContact CE1-CH2 3.72Å; F262-W265 HydrophobicContact CE1-CH2 3.72Å; F262-W265 AromaticContact CE1-CZ3 3.63Å; F262-W265 HydrophobicContact CE1-CZ3 3.63Å; F262-W265 HydrophobicContact CG-CZ3 4.4Å; F262-W265 PolarHBondContact O-N 3.18Å; Q263-W265 PolarHBondContact O-N 2.72Å; W265-V267 HydrophobicContact CB-CG2 4.38Å; W265-P737 HydrophobicContact CH2-CG 4.41Å; W265-P737 HydrophobicContact CZ2-CB 3.55Å; W265-P737 HydrophobicContact CZ2-CG 3.81Å; W265-I741 HydrophobicContact CG-CD1 4.44Å; W265-L757 HydrophobicContact CG-CD2 4.34Å; W265-R758 WeakPolarHBondContact O-CD 3.3Å; W265-R758 PolarHBondContact O-NH1 2.9Å
266	G	96.8	Very high	97.1	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	28.6	179.6	0	0	0	0	0	113.8	R203 Q263 R264 R758	R203-G266 PolarHBondContact NH2-O 3.16Å; Q263-G266 WeakPolarHBondContact O-CA 3.38Å; Q263-G266 PolarHBondContact O-N 2.94Å; R264-G266 PolarHBondContact O-N 3.45Å; G266-R758 PolarHBondContact O-NH1 3.47Å
267	V	98.4	Very high	97	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.175	C	C	.	.			trans	-76.4	122.6	178.1	174	0	0	0	0	110.6	K195 D199 Y214 F262 W265 A269 W271	K195-V267 HydrophobicContact CB-CG2 4.25Å; D199-V267 HydrophobicContact CB-CB 4.4Å; D199-V267 HydrophobicContact CB-CG1 4.18Å; D199-V267 HydrophobicContact CB-CG2 4.14Å; Y214-V267 HydrophobicContact CE1-CG1 4.12Å; F262-V267 VanDerWaalsContact O-CB 3.32Å; F262-V267 WeakPolarHBondContact O-CB 3.31Å; F262-V267 WeakPolarHBondContact O-CG2 3.41Å; F262-V267 PolarHBondContact O-N 2.96Å; W265-V267 HydrophobicContact CB-CG2 4.38Å; V267-A269 HydrophobicContact CG1-CB 4.42Å; V267-W271 HydrophobicContact CB-CZ2 3.97Å; V267-W271 HydrophobicContact CG1-CH2 4.36Å; V267-W271 HydrophobicContact CG1-CZ2 3.85Å; V267-W271 WeakPolarHBondContact O-CZ2 3.47Å; V267-W271 PolarHBondContact O-NE1 2.81Å
268	M	97.6	Very high	97	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.158	C	C	.	.			trans	-86.8	114.3	176.1	179.3	-168.2	73.8	0	0	110	L161 Y162 D199 N202 R203 M206 Y214	L161-M268 HydrophobicContact CD2-CG 4.34Å; L161-M268 HydrophobicContact CD2-SD 3.84Å; L161-M268 HydrophobicContact CG-CG 4.36Å; L161-M268 HydrophobicContact CG-SD 3.81Å; Y162-M268 HydrophobicContact CD2-CG 4.37Å; D199-M268 WeakPolarHBondContact OD1-CB 3.36Å; D199-M268 PolarHBondContact OD1-N 3.08Å; N202-M268 HydrophobicContact CB-CE 4.08Å; R203-M268 HydrophobicContact CG-CE 4.4Å; M206-M268 HydrophobicContact CB-CE 4.36Å; M206-M268 HydrophobicContact CE-CE 4.32Å; M206-M268 HydrophobicContact CE-SD 3.77Å; M206-M268 HydrophobicContact SD-CE 3.9Å; M206-M268 HydrophobicContact SD-SD 3.43Å; Y214-M268 WeakPolarHBondContact CD1-O 3.48Å
269	A	97.5	Very high	97	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	17%	0.172	C	C	.	.	S	Bend	trans	-158.1	172.9	-176.4	0	0	0	0	0	112.9	Y162 Y214 P216 V267 W271	Y162-A269 WeakPolarHBondContact CB-O 3.29Å; Y162-A269 VanDerWaalsContact CG-C 3.41Å; Y214-A269 HydrophobicContact CD1-CB 3.44Å; Y214-A269 VanDerWaalsContact CD1-CB 3.44Å; Y214-A269 HydrophobicContact CE1-CB 3.51Å; P216-A269 HydrophobicContact CG-CB 3.43Å; P216-A269 VanDerWaalsContact CG-CB 3.43Å; V267-A269 HydrophobicContact CG1-CB 4.42Å; A269-W271 HydrophobicContact CB-CD2 4.23Å; A269-W271 HydrophobicContact CB-CH2 4.29Å; A269-W271 HydrophobicContact CB-CZ2 3.87Å; A269-W271 PolarHBondContact O-N 2.91Å
270	D	96.9	Very high	97	Very high	11 Å²	11	32.8 Å²	32.8	6%	0.059	17%	0.169	C	C	.	.			trans	-70.9	74	172.2	-143	-43.9	0	0	0	112.1	Y162 R166 Y214 I215 P216 E272 Q273 C274	Y162-D270 HydrophobicContact CD1-CB 4.22Å; Y162-D270 HydrophobicContact CE1-CB 3.48Å; Y162-D270 VanDerWaalsContact CE1-CB 3.48Å; Y162-D270 WeakPolarHBondContact CE1-OD2 3.46Å; Y162-D270 HydrophobicContact CE2-CB 4.47Å; Y162-D270 WeakPolarHBondContact OH-CB 3.13Å; Y162-D270 PolarHBondContact OH-OD2 3.22Å; R166-D270 IonicContact NH1-OD2 3.37Å; Y214-D270 PolarHBondContact O-N 2.89Å; I215-D270 HydrophobicContact CB-CB 4.23Å; I215-D270 HydrophobicContact CG1-CB 3.92Å; I215-D270 HydrophobicContact CG2-CB 4.27Å; P216-D270 WeakPolarHBondContact CD-O 3.41Å; D270-E272 PolarHBondContact O-N 2.59Å; D270-Q273 WeakPolarHBondContact OD1-CB 3.5Å; D270-Q273 PolarHBondContact OD1-N 3.46Å; D270-C274 PolarHBondContact O-N 3.03Å; D270-C274 PolarHBondContact O-SG 3.33Å
271	W	96.3	Very high	96.9	Very high	27 Å²	27	33.1 Å²	33.1	10%	0.102	17%	0.172	C	C	.	.	S	Bend	trans	-72.6	-9.5	-179.3	-62.5	122.8	0	0	0	113.7	P216 W218 K259 F262 Q263 V267 A269	P216-W271 HydrophobicContact CB-CE3 4.46Å; P216-W271 HydrophobicContact CB-CZ3 3.93Å; P216-W271 HydrophobicContact CG-CE3 3.86Å; P216-W271 HydrophobicContact CG-CH2 4.07Å; P216-W271 HydrophobicContact CG-CZ3 3.59Å; W218-W271 HydrophobicContact CH2-CZ3 4.14Å; K259-W271 HydrophobicContact CD-CE3 4.48Å; K259-W271 VanDerWaalsContact CE-O 3.23Å; K259-W271 WeakPolarHBondContact CE-O 3.38Å; K259-W271 HydrophobicContact CG-CE3 3.89Å; K259-W271 HydrophobicContact CG-CZ3 4.12Å; K259-W271 PolarHBondContact NZ-O 3.43Å; F262-W271 HydrophobicContact CB-CH2 3.51Å; F262-W271 HydrophobicContact CB-CZ2 4.08Å; F262-W271 HydrophobicContact CB-CZ3 4.39Å; F262-W271 HydrophobicContact CD2-CH2 4.09Å; F262-W271 HydrophobicContact CD2-CZ3 4.42Å; F262-W271 HydrophobicContact CG-CH2 4.33Å; Q263-W271 HydrophobicContact CG-CD2 3.78Å; Q263-W271 HydrophobicContact CG-CE3 4.36Å; Q263-W271 HydrophobicContact CG-CG 4.07Å; Q263-W271 HydrophobicContact CG-CZ2 3.97Å; V267-W271 HydrophobicContact CB-CZ2 3.97Å; V267-W271 HydrophobicContact CG1-CH2 4.36Å; V267-W271 HydrophobicContact CG1-CZ2 3.85Å; V267-W271 WeakPolarHBondContact O-CZ2 3.47Å; V267-W271 PolarHBondContact O-NE1 2.81Å; A269-W271 HydrophobicContact CB-CD2 4.23Å; A269-W271 HydrophobicContact CB-CH2 4.29Å; A269-W271 HydrophobicContact CB-CZ2 3.87Å; A269-W271 PolarHBondContact O-N 2.91Å
272	E	93.6	Very high	96.9	Very high	167 Å²	167	32.6 Å²	32.6	78%	0.78	17%	0.166	S	C	*	.	S	Bend	trans	-93.1	-45.4	175.8	-64	-175.7	169.5	0	0	111.5	D270	D270-E272 PolarHBondContact O-N 2.59Å
273	Q	92.8	Very high	96.9	Very high	138 Å²	138	32.6 Å²	32.6	65%	0.645	17%	0.166	S	C	*	.	S	Bend	trans	-104.5	38.6	-175	-51.2	-174.4	25	0	0	113.1	I215 D270	I215-Q273 WeakPolarHBondContact CG2-O 3.47Å; D270-Q273 WeakPolarHBondContact OD1-CB 3.5Å; D270-Q273 PolarHBondContact OD1-N 3.46Å
274	C	97.1	Very high	96.9	Very high	13 Å²	13	29.5 Å²	29.5	9%	0.088	15%	0.154	C	C	.	.			trans	-55.6	147.4	172.9	-62.2	0	0	0	0	111.8	P216 W218 D270 Y276	P216-C274 VanDerWaalsContact O-CA 3.29Å; P216-C274 WeakPolarHBondContact O-CA 3.43Å; W218-C274 HydrophobicContact CZ3-CB 3.92Å; D270-C274 PolarHBondContact O-N 3.03Å; D270-C274 PolarHBondContact O-SG 3.33Å; C274-Y276 HydrophobicContact CB-CE1 4.44Å; C274-Y276 HydrophobicContact CB-CE2 4.24Å; C274-Y276 WeakPolarHBondContact CB-OH 3.45Å
275	Y	97.3	Very high	96.8	Very high	15 Å²	15	29 Å²	29	6%	0.059	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.4	178.7	76.9	-96	0	0	0	113.2	D178 P180 I215 P216 G217 W218 Y282 V672	D178-Y275 PolarHBondContact O-OH 3.09Å; P180-Y275 HydrophobicContact CB-CE2 4.1Å; P180-Y275 WeakPolarHBondContact CD-OH 3.33Å; P180-Y275 HydrophobicContact CG-CE2 4.45Å; I215-Y275 HydrophobicContact CG2-CD1 4.08Å; P216-Y275 WeakPolarHBondContact O-CD1 3.24Å; P216-Y275 PolarHBondContact O-N 3.39Å; G217-Y275 CarbonylContact C-O 3.6Å; G217-Y275 VanDerWaalsContact CA-CE1 3.5Å; G217-Y275 WeakPolarHBondContact CA-O 3.48Å; W218-Y275 PolarHBondContact N-O 3.29Å; Y275-Y282 AromaticContact CD2-CD2 3.97Å; Y275-Y282 HydrophobicContact CD2-CD2 3.97Å; Y275-Y282 AromaticContact CD2-CE2 3.61Å; Y275-Y282 HydrophobicContact CD2-CE2 3.61Å; Y275-Y282 AromaticContact CE2-CE2 3.85Å; Y275-Y282 HydrophobicContact CE2-CE2 3.85Å; Y275-V672 HydrophobicContact CD1-CB 4.45Å; Y275-V672 HydrophobicContact CD1-CG1 3.99Å; Y275-V672 HydrophobicContact CD1-CG2 3.55Å; Y275-V672 HydrophobicContact CD2-CG2 3.91Å; Y275-V672 HydrophobicContact CE1-CG1 4.21Å; Y275-V672 HydrophobicContact CE1-CG2 3.88Å; Y275-V672 HydrophobicContact CE2-CG2 4.21Å; Y275-V672 HydrophobicContact CG-CG2 3.56Å
276	Y	97.7	Very high	96.8	Very high	42 Å²	42	28.9 Å²	28.9	17%	0.165	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.2	178	-49.9	-74.9	0	0	0	110.3	W218 I255 C274 F278 D279	W218-Y276 HydrophobicContact CB-CD1 4.11Å; W218-Y276 HydrophobicContact CD2-CE1 4.2Å; W218-Y276 HydrophobicContact CE3-CD1 4.12Å; W218-Y276 AromaticContact CE3-CE1 3.5Å; W218-Y276 HydrophobicContact CE3-CE1 3.5Å; W218-Y276 VanDerWaalsContact CE3-CE1 3.5Å; W218-Y276 HydrophobicContact CZ3-CE1 4.1Å; I255-Y276 HydrophobicContact CD1-CD1 3.69Å; I255-Y276 HydrophobicContact CD1-CE1 3.89Å; I255-Y276 HydrophobicContact CG1-CD1 4.43Å; I255-Y276 HydrophobicContact CG1-CE1 4.3Å; I255-Y276 HydrophobicContact CG2-CE1 3.62Å; C274-Y276 HydrophobicContact CB-CE1 4.44Å; C274-Y276 HydrophobicContact CB-CE2 4.24Å; C274-Y276 WeakPolarHBondContact CB-OH 3.45Å; Y276-F278 VanDerWaalsContact CB-CE2 3.43Å; Y276-F278 HydrophobicContact CD2-CE2 4.2Å; Y276-F278 HydrophobicContact CG-CD2 4.41Å; Y276-F278 AromaticContact CG-CE2 3.81Å; Y276-F278 HydrophobicContact CG-CE2 3.81Å; Y276-F278 HydrophobicContact CG-CZ 4.29Å; Y276-F278 PolarHBondContact O-N 3.11Å; Y276-F278 VanDerWaalsContact O-N 3.13Å; Y276-D279 WeakPolarHBondContact CB-OD2 3.46Å; Y276-D279 WeakPolarHBondContact CD2-OD2 3.39Å; Y276-D279 PolarHBondContact N-OD2 3.1Å; Y276-D279 WeakPolarHBondContact O-CB 3.36Å; Y276-D279 PolarHBondContact O-N 3.19Å; Y276-D279 VanDerWaalsContact O-N 3.07Å
277	T	97.4	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.7	-179.3	56.5	0	0	0	0	113.5	W218 D219 C220 H221 Y282 D664	W218-T277 PolarHBondContact O-N 3.19Å; D219-T277 HydrophobicContact CB-CG2 4.5Å; D219-T277 PolarHBondContact OD1-OG1 3.43Å; C220-T277 PolarHBondContact N-OG1 3.11Å; H221-T277 PolarHBondContact CE1-O 2.94Å; T277-Y282 HydrophobicContact CG2-CD1 4.41Å; T277-Y282 HydrophobicContact CG2-CE1 3.76Å; T277-Y282 HydrophobicContact CG2-CE2 4.42Å; T277-D664 HydrophobicContact CG2-CB 4.28Å
278	F	96.2	Very high	96.8	Very high	15 Å²	15	33.6 Å²	33.6	7%	0.066	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.4	174.4	65.3	-151.8	0	0	0	115.3	C220 H221 R248 A251 E252 I255 Y276 W590	C220-F278 HydrophobicContact CB-CB 4.21Å; C220-F278 HydrophobicContact CB-CD1 3.44Å; C220-F278 VanDerWaalsContact CB-CD1 3.44Å; C220-F278 HydrophobicContact CB-CE1 4.01Å; C220-F278 HydrophobicContact CB-CG 3.95Å; H221-F278 WeakPolarHBondContact NE2-CB 3.35Å; R248-F278 HydrophobicContact CG-CD1 4.25Å; R248-F278 HydrophobicContact CG-CE1 4.06Å; A251-F278 HydrophobicContact CB-CE1 4.36Å; E252-F278 HydrophobicContact CG-CE1 4.14Å; E252-F278 HydrophobicContact CG-CZ 3.96Å; I255-F278 HydrophobicContact CD1-CE1 4.32Å; I255-F278 HydrophobicContact CD1-CZ 4.22Å; Y276-F278 VanDerWaalsContact CB-CE2 3.43Å; Y276-F278 HydrophobicContact CD2-CE2 4.2Å; Y276-F278 HydrophobicContact CG-CD2 4.41Å; Y276-F278 AromaticContact CG-CE2 3.81Å; Y276-F278 HydrophobicContact CG-CE2 3.81Å; Y276-F278 HydrophobicContact CG-CZ 4.29Å; Y276-F278 PolarHBondContact O-N 3.11Å; Y276-F278 VanDerWaalsContact O-N 3.13Å; F278-W590 HydrophobicContact CB-CH2 4.2Å; F278-W590 AromaticContact CD1-CH2 3.94Å; F278-W590 HydrophobicContact CD1-CH2 3.94Å; F278-W590 HydrophobicContact CD1-CZ2 4.08Å
279	D	97.3	Very high	96.8	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.176	S	C	.	.			trans	-78.2	125.7	-179.1	-69.7	-31.5	0	0	0	109.5	Y276 A281 Y282 E283	Y276-D279 WeakPolarHBondContact CB-OD2 3.46Å; Y276-D279 WeakPolarHBondContact CD2-OD2 3.39Å; Y276-D279 PolarHBondContact N-OD2 3.1Å; Y276-D279 WeakPolarHBondContact O-CB 3.36Å; Y276-D279 PolarHBondContact O-N 3.19Å; Y276-D279 VanDerWaalsContact O-N 3.07Å; D279-A281 PolarHBondContact O-N 3.03Å; D279-Y282 WeakPolarHBondContact O-CA 3.37Å; D279-Y282 VanDerWaalsContact O-CB 3.28Å; D279-Y282 WeakPolarHBondContact O-CB 3.34Å; D279-Y282 PolarHBondContact O-N 2.84Å; D279-E283 WeakPolarHBondContact O-CG 3.23Å; D279-E283 PolarHBondContact O-N 2.86Å
280	G	97.1	Very high	96.8	Very high	14 Å²	14	33.7 Å²	33.7	14%	0.144	18%	0.176	C	C	.	.	H	α-helix	trans	-52.1	-30.8	-178.6	0	0	0	0	0	114.9	A284 F619 K620	G280-A284 VanDerWaalsContact O-CB 3.23Å; G280-A284 WeakPolarHBondContact O-CB 3.37Å; G280-A284 PolarHBondContact O-N 3.2Å; G280-F619 CarbonylContact C-O 3.57Å; G280-F619 WeakPolarHBondContact CA-O 3.47Å; G280-F619 CarbonylContact O-C 3.6Å; G280-K620 WeakPolarHBondContact O-CA 3.46Å; G280-K620 PolarHBondContact O-N 3.38Å
281	A	96.3	Very high	96.8	Very high	62 Å²	62	35.7 Å²	35.7	51%	0.512	19%	0.185	S	C	.	.	H	α-helix	trans	-70.3	-35.6	173.2	0	0	0	0	0	113.7	D279 A285	D279-A281 PolarHBondContact O-N 3.03Å; A281-A285 PolarHBondContact O-N 2.74Å
282	Y	97.6	Very high	96.9	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.027	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-49.5	173	-171.5	-76	0	0	0	110.5	Y275 T277 D279 A284 A285 Q286 D664 S668 A671 V672	Y275-Y282 AromaticContact CD2-CD2 3.97Å; Y275-Y282 HydrophobicContact CD2-CD2 3.97Å; Y275-Y282 AromaticContact CD2-CE2 3.61Å; Y275-Y282 HydrophobicContact CD2-CE2 3.61Å; Y275-Y282 AromaticContact CE2-CE2 3.85Å; Y275-Y282 HydrophobicContact CE2-CE2 3.85Å; T277-Y282 HydrophobicContact CG2-CD1 4.41Å; T277-Y282 HydrophobicContact CG2-CE1 3.76Å; T277-Y282 HydrophobicContact CG2-CE2 4.42Å; D279-Y282 WeakPolarHBondContact O-CA 3.37Å; D279-Y282 VanDerWaalsContact O-CB 3.28Å; D279-Y282 WeakPolarHBondContact O-CB 3.34Å; D279-Y282 PolarHBondContact O-N 2.84Å; Y282-A284 VanDerWaalsContact C-N 3.28Å; Y282-A284 PolarHBondContact O-N 2.81Å; Y282-A285 WeakPolarHBondContact O-CA 3.5Å; Y282-A285 WeakPolarHBondContact O-CB 3.35Å; Y282-A285 PolarHBondContact O-N 3.04Å; Y282-Q286 PolarHBondContact O-N 2.9Å; Y282-D664 PolarHBondContact OH-O 2.98Å; Y282-S668 WeakPolarHBondContact OH-CA 3.45Å; Y282-S668 VanDerWaalsContact OH-CB 3.23Å; Y282-S668 WeakPolarHBondContact OH-CB 3.26Å; Y282-S668 PolarHBondContact OH-N 3.3Å; Y282-S668 VanDerWaalsContact OH-N 3.16Å; Y282-A671 HydrophobicContact CD2-CB 3.42Å; Y282-A671 VanDerWaalsContact CD2-CB 3.42Å; Y282-A671 HydrophobicContact CE2-CB 3.77Å; Y282-A671 HydrophobicContact CG-CB 3.99Å; Y282-V672 HydrophobicContact CE2-CG2 4.48Å
283	E	97.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-42.3	177.9	-59.2	-179.3	133.5	0	0	111.3	H221 D279 Q286 L287 V592 F619 S624	H221-E283 IonicContact CE1-OE1 3.15Å; H221-E283 IonicContact NE2-OE1 2.57Å; D279-E283 WeakPolarHBondContact O-CG 3.23Å; D279-E283 PolarHBondContact O-N 2.86Å; E283-Q286 PolarHBondContact O-N 3.16Å; E283-L287 WeakPolarHBondContact O-CG 3.34Å; E283-L287 PolarHBondContact O-N 3.3Å; E283-V592 HydrophobicContact CB-CG1 4.29Å; E283-V592 HydrophobicContact CB-CG2 4.29Å; E283-V592 HydrophobicContact CG-CG2 3.76Å; E283-F619 HydrophobicContact CB-CB 4.34Å; E283-F619 HydrophobicContact CB-CD2 4.2Å; E283-S624 VanDerWaalsContact CD-CB 3.5Å; E283-S624 WeakPolarHBondContact OE1-CB 3.24Å; E283-S624 PolarHBondContact OE1-OG 2.84Å; E283-S624 WeakPolarHBondContact OE2-CB 3.45Å; E283-S624 PolarHBondContact OE2-N 2.82Å; E283-S624 PolarHBondContact OE2-OG 3Å
284	A	97.5	Very high	97.3	Very high	13 Å²	13	25.6 Å²	25.6	11%	0.107	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-36.9	174.7	0	0	0	0	0	113.5	G280 Y282 K288 A616 K620	G280-A284 VanDerWaalsContact O-CB 3.23Å; G280-A284 WeakPolarHBondContact O-CB 3.37Å; G280-A284 PolarHBondContact O-N 3.2Å; Y282-A284 VanDerWaalsContact C-N 3.28Å; Y282-A284 PolarHBondContact O-N 2.81Å; A284-K288 PolarHBondContact O-N 3.47Å; A284-A616 WeakPolarHBondContact CB-O 3.4Å; A284-K620 HydrophobicContact CB-CB 3.74Å; A284-K620 HydrophobicContact CB-CG 4.4Å
285	A	96.4	Very high	97.2	Very high	19 Å²	19	28.2 Å²	28.2	16%	0.157	17%	0.168	C	C	.	.	H	α-helix	trans	-69.8	-38.2	175.3	0	0	0	0	0	111.8	A281 Y282 K288 V289 A671	A281-A285 PolarHBondContact O-N 2.74Å; Y282-A285 WeakPolarHBondContact O-CA 3.5Å; Y282-A285 WeakPolarHBondContact O-CB 3.35Å; Y282-A285 PolarHBondContact O-N 3.04Å; A285-K288 WeakPolarHBondContact O-CB 3.32Å; A285-K288 PolarHBondContact O-N 2.99Å; A285-V289 PolarHBondContact O-N 3.19Å; A285-V289 VanDerWaalsContact O-N 3.11Å; A285-A671 HydrophobicContact CB-CB 3.94Å
286	Q	97.6	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-44.6	171.7	-177.9	-167.1	16.7	0	0	111.6	Y282 E283 K288 V289 F290 V592 L659 F663 D664 A667	Y282-Q286 PolarHBondContact O-N 2.9Å; E283-Q286 PolarHBondContact O-N 3.16Å; Q286-K288 VanDerWaalsContact C-N 3.29Å; Q286-K288 PolarHBondContact O-N 2.63Å; Q286-V289 WeakPolarHBondContact O-CA 3.32Å; Q286-V289 WeakPolarHBondContact O-CB 3.37Å; Q286-V289 PolarHBondContact O-N 2.94Å; Q286-V289 VanDerWaalsContact O-N 3.1Å; Q286-F290 PolarHBondContact O-N 2.7Å; Q286-V592 VanDerWaalsContact OE1-CG2 3.22Å; Q286-L659 HydrophobicContact CG-CD1 4.48Å; Q286-F663 HydrophobicContact CG-CD1 3.96Å; Q286-F663 HydrophobicContact CG-CE1 3.89Å; Q286-D664 VanDerWaalsContact NE2-CG 3.35Å; Q286-D664 PolarHBondContact NE2-OD1 3.16Å; Q286-A667 HydrophobicContact CB-CB 4.02Å; Q286-A667 HydrophobicContact CG-CB 3.81Å
287	L	97.9	Very high	97	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-29.2	175.2	-72.2	-169.3	0	0	0	112.7	E283 F290 Q291 V592 P595 I612 I615 A616 F619 L659	E283-L287 WeakPolarHBondContact O-CG 3.34Å; E283-L287 PolarHBondContact O-N 3.3Å; L287-F290 PolarHBondContact O-N 3.01Å; L287-Q291 VanDerWaalsContact O-CB 3.29Å; L287-Q291 WeakPolarHBondContact O-CB 3.31Å; L287-Q291 PolarHBondContact O-N 3.38Å; L287-V592 HydrophobicContact CD2-CG1 4.34Å; L287-V592 HydrophobicContact CG-CG1 4.43Å; L287-P595 HydrophobicContact CD1-CG 4.35Å; L287-P595 HydrophobicContact CD2-CG 4.02Å; L287-I612 HydrophobicContact CB-CG2 4.41Å; L287-I615 HydrophobicContact CD1-CG2 4.08Å; L287-A616 HydrophobicContact CB-CB 3.81Å; L287-A616 HydrophobicContact CD1-CB 4.22Å; L287-F619 HydrophobicContact CD1-CD2 3.53Å; L287-F619 HydrophobicContact CD1-CE2 3.63Å; L287-F619 HydrophobicContact CD1-CG 4.4Å; L287-F619 HydrophobicContact CG-CD2 4.4Å; L287-L659 HydrophobicContact CD2-CD1 4.15Å
288	K	96.9	Very high	97	Very high	105 Å²	105	33.6 Å²	33.6	46%	0.457	21%	0.209	S	C	.	.	H	α-helix	trans	-63.4	-42.6	168.5	-179.1	-174.4	172.8	-170.8	0	111.6	A284 A285 Q286 Q291 E292 E675	A284-K288 PolarHBondContact O-N 3.47Å; A285-K288 WeakPolarHBondContact O-CB 3.32Å; A285-K288 PolarHBondContact O-N 2.99Å; Q286-K288 VanDerWaalsContact C-N 3.29Å; Q286-K288 PolarHBondContact O-N 2.63Å; K288-Q291 PolarHBondContact O-N 3.14Å; K288-E292 PolarHBondContact O-N 3.07Å; K288-E292 VanDerWaalsContact O-N 3.09Å; K288-E675 IonicContact NZ-OE1 2.92Å; K288-E675 PolarHBondContact NZ-OE1 2.72Å
289	V	97.3	Very high	97	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-48.5	173	171.6	0	0	0	0	110.8	A285 Q286 Q291 E292 M293 F663 W669 A670 T700 V704	A285-V289 PolarHBondContact O-N 3.19Å; A285-V289 VanDerWaalsContact O-N 3.11Å; Q286-V289 WeakPolarHBondContact O-CA 3.32Å; Q286-V289 WeakPolarHBondContact O-CB 3.37Å; Q286-V289 PolarHBondContact O-N 2.94Å; Q286-V289 VanDerWaalsContact O-N 3.1Å; V289-Q291 VanDerWaalsContact C-N 3.34Å; V289-Q291 PolarHBondContact O-N 2.74Å; V289-E292 PolarHBondContact O-N 2.89Å; V289-M293 HydrophobicContact CG1-SD 4.04Å; V289-M293 WeakPolarHBondContact O-CG 3.24Å; V289-M293 PolarHBondContact O-N 3.01Å; V289-F663 HydrophobicContact CG1-CZ 3.99Å; V289-W669 HydrophobicContact CG1-CZ2 4.2Å; V289-W669 HydrophobicContact CG2-CH2 3.67Å; V289-W669 HydrophobicContact CG2-CZ2 3.95Å; V289-W669 HydrophobicContact CG2-CZ3 4.4Å; V289-A670 HydrophobicContact CG2-CB 3.43Å; V289-A670 VanDerWaalsContact CG2-CB 3.43Å; V289-T700 HydrophobicContact CG1-CG2 4.45Å; V289-V704 HydrophobicContact CB-CG2 4.42Å; V289-V704 HydrophobicContact CG1-CG2 3.91Å; V289-V704 HydrophobicContact CG2-CG2 4.48Å
290	F	98	Very high	96.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-46.4	175.1	-177.4	-78.9	0	0	0	111.7	Q286 L287 E292 M293 H294 V299 I584 I594 I607 I612 L659 F663	Q286-F290 PolarHBondContact O-N 2.7Å; L287-F290 PolarHBondContact O-N 3.01Å; F290-E292 VanDerWaalsContact C-N 3.34Å; F290-E292 PolarHBondContact O-N 3.47Å; F290-M293 PolarHBondContact O-N 3.33Å; F290-H294 HydrophobicContact CD1-CB 4.48Å; F290-H294 HydrophobicContact CE1-CB 4.27Å; F290-H294 WeakPolarHBondContact O-CB 3.29Å; F290-H294 PolarHBondContact O-N 3.34Å; F290-V299 HydrophobicContact CE2-CG1 3.88Å; F290-V299 HydrophobicContact CZ-CG1 3.75Å; F290-I584 HydrophobicContact CD2-CD1 4.25Å; F290-I584 HydrophobicContact CE2-CD1 3.8Å; F290-I594 HydrophobicContact CE2-CG2 4.45Å; F290-I594 HydrophobicContact CZ-CG2 4.08Å; F290-I607 HydrophobicContact CE1-CD1 3.67Å; F290-I607 HydrophobicContact CZ-CD1 3.98Å; F290-I612 HydrophobicContact CD1-CD1 4.09Å; F290-I612 HydrophobicContact CD1-CG2 4.42Å; F290-I612 HydrophobicContact CE1-CD1 4.06Å; F290-L659 HydrophobicContact CD2-CD2 3.94Å; F290-L659 HydrophobicContact CE2-CD2 4Å; F290-F663 HydrophobicContact CB-CE1 4.01Å; F290-F663 HydrophobicContact CB-CZ 4.06Å; F290-F663 HydrophobicContact CD2-CE1 4.27Å; F290-F663 HydrophobicContact CD2-CZ 4.37Å
291	Q	97.6	Very high	96.7	Very high	53 Å²	53	34.9 Å²	34.9	25%	0.248	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-44.1	178.9	-171.3	-179.4	-37.1	0	0	112.4	L287 K288 V289 G295 K609 I612	L287-Q291 VanDerWaalsContact O-CB 3.29Å; L287-Q291 WeakPolarHBondContact O-CB 3.31Å; L287-Q291 PolarHBondContact O-N 3.38Å; K288-Q291 PolarHBondContact O-N 3.14Å; V289-Q291 VanDerWaalsContact C-N 3.34Å; V289-Q291 PolarHBondContact O-N 2.74Å; Q291-G295 PolarHBondContact O-N 3.45Å; Q291-K609 HydrophobicContact CG-CB 4.38Å; Q291-K609 PolarHBondContact NE2-O 2.74Å; Q291-I612 HydrophobicContact CB-CB 4.27Å; Q291-I612 HydrophobicContact CB-CD1 4.34Å; Q291-I612 HydrophobicContact CB-CG2 3.66Å; Q291-I612 HydrophobicContact CG-CB 4.16Å; Q291-I612 HydrophobicContact CG-CD1 4.22Å; Q291-I612 HydrophobicContact CG-CG2 4.09Å
292	E	96.9	Very high	96.3	Very high	74 Å²	74	34.7 Å²	34.7	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-68.6	-37.9	177.5	-80.2	-159.6	-129.1	0	0	112.7	K288 V289 F290 K296 V704	K288-E292 PolarHBondContact O-N 3.07Å; K288-E292 VanDerWaalsContact O-N 3.09Å; V289-E292 PolarHBondContact O-N 2.89Å; F290-E292 VanDerWaalsContact C-N 3.34Å; F290-E292 PolarHBondContact O-N 3.47Å; E292-K296 VanDerWaalsContact O-CD 3.26Å; E292-K296 WeakPolarHBondContact O-CD 3.44Å; E292-K296 VanDerWaalsContact O-CG 3.23Å; E292-K296 WeakPolarHBondContact O-CG 3.24Å; E292-K296 PolarHBondContact O-N 2.85Å; E292-K296 IonicContact OE2-NZ 2.66Å; E292-K296 PolarHBondContact OE2-NZ 2.82Å; E292-V704 HydrophobicContact CB-CG2 4.12Å
293	M	97.6	Very high	95.9	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-43.5	177.4	-66.5	-174.9	61	0	0	111.7	V289 F290 K296 G297 L298 V299 I545 L550 F663 T700 A703 V704	V289-M293 HydrophobicContact CG1-SD 4.04Å; V289-M293 WeakPolarHBondContact O-CG 3.24Å; V289-M293 PolarHBondContact O-N 3.01Å; F290-M293 PolarHBondContact O-N 3.33Å; M293-K296 PolarHBondContact O-N 3.24Å; M293-G297 PolarHBondContact O-N 2.91Å; M293-L298 HydrophobicContact CB-CB 4.36Å; M293-L298 WeakPolarHBondContact O-CB 2.9Å; M293-L298 PolarHBondContact O-N 3.43Å; M293-V299 HydrophobicContact CB-CG2 3.82Å; M293-I545 HydrophobicContact CE-CD1 3.73Å; M293-I545 HydrophobicContact CE-CG1 4.06Å; M293-I545 HydrophobicContact CE-CG2 3.8Å; M293-L550 HydrophobicContact CE-CD1 4.42Å; M293-F663 HydrophobicContact SD-CE2 3.92Å; M293-F663 HydrophobicContact SD-CZ 4.3Å; M293-T700 HydrophobicContact SD-CG2 4.24Å; M293-A703 HydrophobicContact CE-CB 3.62Å; M293-A703 HydrophobicContact CG-CB 3.74Å; M293-A703 HydrophobicContact SD-CB 3.79Å; M293-V704 HydrophobicContact CG-CG2 4.2Å
294	H	97.1	Very high	95.3	Very high	45 Å²	45	40 Å²	40	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-44.8	172.2	-177.6	-102.7	0	0	0	111.7	F290 K296 G297 V299 I607 I612	F290-H294 HydrophobicContact CD1-CB 4.48Å; F290-H294 HydrophobicContact CE1-CB 4.27Å; F290-H294 WeakPolarHBondContact O-CB 3.29Å; F290-H294 PolarHBondContact O-N 3.34Å; H294-K296 PolarHBondContact O-N 3.01Å; H294-K296 VanDerWaalsContact O-N 3.11Å; H294-G297 PolarHBondContact O-N 2.71Å; H294-V299 HydrophobicContact CB-CB 4.1Å; H294-I607 PolarHBondContact CE1-O 2.63Å; H294-I612 HydrophobicContact CB-CD1 4.37Å
295	G	95.9	Very high	94.9	Very high	68 Å²	68	39.4 Å²	39.4	70%	0.701	21%	0.214	S	C	*	.	H	α-helix	trans	-63.1	-15.5	175.7	0	0	0	0	0	115.1	Q291	Q291-G295 PolarHBondContact O-N 3.45Å
296	K	96.1	Very high	94.5	Very high	98 Å²	98	38.8 Å²	38.8	43%	0.426	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	4.2	174	-70.3	162.3	-176.3	161.1	0	112.9	E292 M293 H294 L298 A703 V704	E292-K296 VanDerWaalsContact O-CD 3.26Å; E292-K296 WeakPolarHBondContact O-CD 3.44Å; E292-K296 VanDerWaalsContact O-CG 3.23Å; E292-K296 WeakPolarHBondContact O-CG 3.24Å; E292-K296 PolarHBondContact O-N 2.85Å; E292-K296 IonicContact OE2-NZ 2.66Å; E292-K296 PolarHBondContact OE2-NZ 2.82Å; M293-K296 PolarHBondContact O-N 3.24Å; H294-K296 PolarHBondContact O-N 3.01Å; H294-K296 VanDerWaalsContact O-N 3.11Å; K296-L298 HydrophobicContact CB-CD1 3.89Å; K296-L298 HydrophobicContact CB-CG 3.89Å; K296-L298 HydrophobicContact CD-CD1 4.36Å; K296-L298 PolarHBondContact O-N 2.78Å; K296-A703 WeakPolarHBondContact CD-O 3.37Å; K296-A703 PolarHBondContact NZ-O 2.95Å; K296-V704 PolarHBondContact NZ-O 2.98Å
297	G	95.3	Very high	94.2	Very high	54 Å²	54	39.9 Å²	39.9	56%	0.557	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	17.9	-176	0	0	0	0	0	114.1	M293 H294	M293-G297 PolarHBondContact O-N 2.91Å; H294-G297 PolarHBondContact O-N 2.71Å
298	L	95.9	Very high	93.9	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.099	21%	0.213	C	C	.	.			trans	-86.9	-28.7	-178.1	-58.3	171.1	0	0	0	112.3	M293 K296 I545 N546 S549 L550 A703	M293-L298 HydrophobicContact CB-CB 4.36Å; M293-L298 WeakPolarHBondContact O-CB 2.9Å; M293-L298 PolarHBondContact O-N 3.43Å; K296-L298 HydrophobicContact CB-CD1 3.89Å; K296-L298 HydrophobicContact CB-CG 3.89Å; K296-L298 HydrophobicContact CD-CD1 4.36Å; K296-L298 PolarHBondContact O-N 2.78Å; L298-I545 CarbonylContact O-C 3.58Å; L298-I545 VanDerWaalsContact O-CA 3.32Å; L298-I545 WeakPolarHBondContact O-CA 3.06Å; L298-N546 PolarHBondContact O-N 3.42Å; L298-S549 WeakPolarHBondContact CD2-OG 2.99Å; L298-L550 HydrophobicContact CD1-CD2 3.96Å; L298-L550 HydrophobicContact CD2-CD2 4.13Å; L298-L550 HydrophobicContact CD2-CG 4.3Å; L298-A703 HydrophobicContact CD1-CB 3.64Å
299	V	96.7	Very high	93.7	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.5	172.2	176.8	0	0	0	0	108.7	F290 M293 H294 W543 F544 I545 I584	F290-V299 HydrophobicContact CE2-CG1 3.88Å; F290-V299 HydrophobicContact CZ-CG1 3.75Å; M293-V299 HydrophobicContact CB-CG2 3.82Å; H294-V299 HydrophobicContact CB-CB 4.1Å; V299-W543 HydrophobicContact CG1-CE3 3.81Å; V299-W543 HydrophobicContact CG1-CZ3 4.29Å; V299-F544 VanDerWaalsContact CA-O 3.32Å; V299-F544 WeakPolarHBondContact CA-O 3.23Å; V299-I545 HydrophobicContact CG2-CG1 4.05Å; V299-I584 HydrophobicContact CG1-CD1 4.12Å; V299-I584 HydrophobicContact CG2-CD1 4.38Å
300	Y	94.3	Very high	93.4	Very high	56 Å²	56	36 Å²	36	22%	0.22	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.1	-177.9	66.3	-73.5	0	0	0	110.8	D302 K304 F544 N546	Y300-D302 HydrophobicContact CD2-CB 3.94Å; Y300-D302 HydrophobicContact CE2-CB 3.7Å; Y300-D302 WeakPolarHBondContact CE2-OD2 3.25Å; Y300-K304 PolarHBondContact OH-NZ 3.24Å; Y300-F544 HydrophobicContact CD1-CB 4.16Å; Y300-F544 VanDerWaalsContact CD1-O 3.31Å; Y300-F544 WeakPolarHBondContact CD1-O 3.47Å; Y300-F544 HydrophobicContact CE1-CB 3.61Å; Y300-F544 HydrophobicContact CE2-CB 4.17Å; Y300-F544 HydrophobicContact CE2-CD2 4.46Å; Y300-F544 PolarHBondContact N-O 3.01Å; Y300-F544 PolarHBondContact O-N 3.23Å; Y300-N546 HydrophobicContact CD1-CB 4.4Å; Y300-N546 HydrophobicContact CE1-CB 3.92Å
301	Q	93.3	Very high	93	Very high	48 Å²	48	39 Å²	39	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.2	168.8	-168.6	173.8	55.6	0	0	109.6	Q542 W543 Y598	Q301-Q542 WeakPolarHBondContact CA-O 3.32Å; Q301-Q542 WeakPolarHBondContact CG-O 3.32Å; Q301-W543 HydrophobicContact CB-CD2 4.06Å; Q301-W543 HydrophobicContact CB-CE3 4.08Å; Q301-W543 HydrophobicContact CB-CH2 3.84Å; Q301-W543 HydrophobicContact CB-CZ2 3.83Å; Q301-W543 HydrophobicContact CB-CZ3 3.99Å; Q301-W543 HydrophobicContact CG-CZ2 4.37Å; Q301-Y598 PolarHBondContact NE2-OH 3.44Å
302	D	89.6	Confident	92.2	Very high	58 Å²	58	36.9 Å²	36.9	31%	0.31	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	166.7	178.8	-151.6	-26.8	0	0	0	110.8	Y300 K304 K541 Q542 F544	Y300-D302 HydrophobicContact CD2-CB 3.94Å; Y300-D302 HydrophobicContact CE2-CB 3.7Å; Y300-D302 WeakPolarHBondContact CE2-OD2 3.25Å; D302-K304 HydrophobicContact CB-CD 4.34Å; D302-K304 HydrophobicContact CB-CG 4.13Å; D302-K304 WeakPolarHBondContact OD2-CE 3.23Å; D302-K304 IonicContact OD2-NZ 3.84Å; D302-K304 PolarHBondContact OD2-NZ 2.84Å; D302-K541 WeakPolarHBondContact O-CA 3.12Å; D302-Q542 PolarHBondContact N-O 2.85Å; D302-Q542 VanDerWaalsContact N-O 3.09Å; D302-Q542 PolarHBondContact O-N 3.22Å; D302-F544 HydrophobicContact CB-CD2 3.88Å; D302-F544 HydrophobicContact CB-CE2 3.99Å
303	Y	87.3	Confident	91.8	Very high	95 Å²	95	40.3 Å²	40.3	37%	0.373	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	95.3	175.8	-170.9	-114.1	0	0	0	109.5	Y464 C476 P539 K541	Y303-Y464 PolarHBondContact O-OH 2.95Å; Y303-C476 WeakPolarHBondContact OH-CB 3.42Å; Y303-P539 HydrophobicContact CD1-CB 3.97Å; Y303-P539 HydrophobicContact CD1-CG 4.48Å; Y303-P539 HydrophobicContact CD2-CB 4.26Å; Y303-P539 HydrophobicContact CE1-CB 3.63Å; Y303-P539 HydrophobicContact CE1-CG 3.67Å; Y303-P539 HydrophobicContact CE2-CB 3.92Å; Y303-P539 HydrophobicContact CE2-CG 4.25Å; Y303-P539 HydrophobicContact CG-CB 4.29Å; Y303-P539 WeakPolarHBondContact OH-CG 3.35Å; Y303-K541 HydrophobicContact CD2-CG 4.06Å
304	K	86.6	Confident	91.2	Very high	24 Å²	24	40.4 Å²	40.4	10%	0.104	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.4	-173.8	-57.8	-166.5	162.8	149.7	0	111.7	Y300 D302 I306 Y464 P539 S540 F544 Y581	Y300-K304 PolarHBondContact OH-NZ 3.24Å; D302-K304 HydrophobicContact CB-CD 4.34Å; D302-K304 HydrophobicContact CB-CG 4.13Å; D302-K304 WeakPolarHBondContact OD2-CE 3.23Å; D302-K304 IonicContact OD2-NZ 3.84Å; D302-K304 PolarHBondContact OD2-NZ 2.84Å; K304-I306 PolarHBondContact O-N 2.94Å; K304-Y464 HydrophobicContact CD-CE1 4.45Å; K304-Y464 HydrophobicContact CG-CE1 4.31Å; K304-P539 VanDerWaalsContact O-CA 3.28Å; K304-P539 WeakPolarHBondContact O-CA 3.4Å; K304-S540 PolarHBondContact N-O 3.12Å; K304-S540 PolarHBondContact O-N 3.46Å; K304-F544 HydrophobicContact CB-CE1 4.48Å; K304-F544 HydrophobicContact CB-CE2 4.16Å; K304-F544 HydrophobicContact CB-CZ 3.73Å; K304-F544 HydrophobicContact CD-CE2 4.2Å; K304-F544 HydrophobicContact CD-CZ 4.2Å; K304-F544 HydrophobicContact CG-CE2 4.05Å; K304-F544 HydrophobicContact CG-CZ 4.07Å; K304-Y581 HydrophobicContact CD-CE1 4.38Å
305	P	88.2	Confident	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	124.9	167.3	-23.4	33.3	0	0	0	110.7	P457 Y464 I537 R538	P305-P457 WeakPolarHBondContact CG-O 3.34Å; P305-Y464 HydrophobicContact CG-CD2 3.67Å; P305-Y464 HydrophobicContact CG-CE2 4.45Å; P305-Y464 HydrophobicContact CG-CG 3.81Å; P305-I537 HydrophobicContact CB-CG2 3.52Å; P305-R538 WeakPolarHBondContact CA-O 3.33Å
306	I	88.8	Confident	90	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	160.3	172.7	46.6	66.2	0	0	0	109	K304 W308 A315 I537 R538 Q542 F544 C583	K304-I306 PolarHBondContact O-N 2.94Å; I306-W308 HydrophobicContact CD1-CB 3.91Å; I306-W308 HydrophobicContact CD1-CE3 3.82Å; I306-W308 PolarHBondContact O-N 2.83Å; I306-A315 HydrophobicContact CD1-CB 4Å; I306-A315 HydrophobicContact CG1-CB 4.19Å; I306-I537 WeakPolarHBondContact O-CA 3.47Å; I306-R538 WeakPolarHBondContact CD1-O 3.27Å; I306-R538 PolarHBondContact N-O 2.98Å; I306-R538 PolarHBondContact O-N 3.4Å; I306-Q542 HydrophobicContact CG1-CG 4.32Å; I306-F544 HydrophobicContact CG2-CE1 4.11Å; I306-F544 HydrophobicContact CG2-CZ 4.04Å; I306-C583 HydrophobicContact CG2-CB 4.45Å
307	F	90.3	Very high	88.9	Confident	25 Å²	25	31.4 Å²	31.4	11%	0.11	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	120.8	168.2	-58.8	-68.5	0	0	0	108	A315 L316 E318 L321 M461 L526 V535 I537	F307-A315 CarbonylContact O-C 3.47Å; F307-A315 VanDerWaalsContact O-CA 3.32Å; F307-A315 WeakPolarHBondContact O-CA 3.15Å; F307-L316 HydrophobicContact CB-CB 4.37Å; F307-L316 PolarHBondContact O-N 3.43Å; F307-E318 HydrophobicContact CE2-CG 3.89Å; F307-L321 HydrophobicContact CB-CD1 4.21Å; F307-L321 HydrophobicContact CB-CD2 4.17Å; F307-L321 HydrophobicContact CD1-CD1 3.9Å; F307-L321 HydrophobicContact CD2-CD1 3.71Å; F307-L321 HydrophobicContact CE1-CD1 4.19Å; F307-L321 HydrophobicContact CE2-CD1 3.99Å; F307-L321 HydrophobicContact CG-CD1 3.66Å; F307-L321 HydrophobicContact CG-CD2 4.48Å; F307-L321 HydrophobicContact CZ-CD1 4.23Å; F307-M461 HydrophobicContact CD2-CE 4.01Å; F307-M461 HydrophobicContact CE1-CE 4.41Å; F307-M461 HydrophobicContact CE2-CE 3.53Å; F307-M461 HydrophobicContact CE2-SD 4.29Å; F307-M461 HydrophobicContact CZ-CE 3.76Å; F307-M461 HydrophobicContact CZ-SD 4.13Å; F307-L526 HydrophobicContact CD1-CD1 3.79Å; F307-L526 HydrophobicContact CE1-CD1 3.43Å; F307-L526 VanDerWaalsContact CE1-CD1 3.43Å; F307-L526 HydrophobicContact CZ-CD1 4.34Å; F307-V535 HydrophobicContact CB-CG1 3.92Å; F307-V535 HydrophobicContact CD1-CG1 4.29Å; F307-I537 HydrophobicContact CD1-CD1 4.31Å; F307-I537 HydrophobicContact CD1-CG1 3.89Å; F307-I537 HydrophobicContact CE1-CD1 3.91Å; F307-I537 HydrophobicContact CE1-CG1 4.03Å
308	W	92	Very high	87.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.3	-178.6	-175.3	-94.7	0	0	0	109.7	I306 P310 R313 A315 E480 V535 V536 R538 Q587	I306-W308 HydrophobicContact CD1-CB 3.91Å; I306-W308 HydrophobicContact CD1-CE3 3.82Å; I306-W308 PolarHBondContact O-N 2.83Å; W308-P310 WeakPolarHBondContact O-CD 3.5Å; W308-R313 HydrophobicContact CZ2-CB 4.48Å; W308-A315 HydrophobicContact CE3-CB 4.3Å; W308-A315 VanDerWaalsContact CE3-N 3.28Å; W308-A315 VanDerWaalsContact CZ3-N 3.34Å; W308-E480 HydrophobicContact CZ2-CB 3.83Å; W308-E480 HydrophobicContact CZ2-CG 4.36Å; W308-E480 PolarHBondContact NE1-O 3.39Å; W308-V535 WeakPolarHBondContact O-CG1 3.34Å; W308-V536 HydrophobicContact CB-CG2 4.2Å; W308-V536 PolarHBondContact N-O 3.29Å; W308-V536 PolarHBondContact O-N 2.97Å; W308-R538 HydrophobicContact CB-CG 3.76Å; W308-R538 HydrophobicContact CG-CG 4.01Å; W308-Q587 HydrophobicContact CH2-CG 4.43Å; W308-Q587 HydrophobicContact CZ3-CG 4.49Å
309	S	92.2	Very high	86.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	108.3	170.4	174	0	0	0	0	108.9	S311 S312 R313 T314 D528	S309-S311 PolarHBondContact O-N 3.38Å; S309-S311 PolarHBondContact OG-OG 2.87Å; S309-S312 CarbonylContact O-C 3.57Å; S309-S312 PolarHBondContact O-N 3.29Å; S309-S312 WeakPolarHBondContact OG-CB 3.16Å; S309-S312 PolarHBondContact OG-N 2.9Å; S309-S312 VanDerWaalsContact OG-N 3.16Å; S309-S312 PolarHBondContact OG-OG 3.39Å; S309-R313 WeakPolarHBondContact O-CA 3.22Å; S309-R313 PolarHBondContact O-N 3.21Å; S309-T314 PolarHBondContact N-O 3.36Å; S309-T314 VanDerWaalsContact N-O 3.11Å; S309-D528 WeakPolarHBondContact CB-OD2 3.47Å; S309-D528 PolarHBondContact OG-OD2 2.88Å
310	P	91.9	Very high	84.9	Confident	28 Å²	28	37.4 Å²	37.4	18%	0.182	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.3	-36.7	173.5	-22.2	34	0	0	0	111.2	W308 S312 R313 V536	W308-P310 WeakPolarHBondContact O-CD 3.5Å; P310-S312 VanDerWaalsContact C-N 3.29Å; P310-S312 PolarHBondContact O-N 2.84Å; P310-R313 WeakPolarHBondContact O-CG 3.48Å; P310-R313 PolarHBondContact O-N 2.78Å; P310-V536 HydrophobicContact CG-CG2 3.95Å
311	S	88.6	Confident	84.2	Confident	61 Å²	61	35.8 Å²	35.8	43%	0.427	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-65.4	-26.1	178.3	65.9	0	0	0	0	114.8	S309 T531	S309-S311 PolarHBondContact O-N 3.38Å; S309-S311 PolarHBondContact OG-OG 2.87Å; S311-T531 WeakPolarHBondContact OG-CB 3.22Å; S311-T531 WeakPolarHBondContact OG-CG2 3.48Å; S311-T531 PolarHBondContact OG-OG1 2.58Å
312	S	82.4	Confident	83.6	Confident	9 Å²	9	37.3 Å²	37.3	6%	0.063	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-109.9	-2	178.9	-63.7	0	0	0	0	113.2	S309 P310 T314 D528 T531 R588	S309-S312 CarbonylContact O-C 3.57Å; S309-S312 PolarHBondContact O-N 3.29Å; S309-S312 WeakPolarHBondContact OG-CB 3.16Å; S309-S312 PolarHBondContact OG-N 2.9Å; S309-S312 VanDerWaalsContact OG-N 3.16Å; S309-S312 PolarHBondContact OG-OG 3.39Å; P310-S312 VanDerWaalsContact C-N 3.29Å; P310-S312 PolarHBondContact O-N 2.84Å; S312-T314 VanDerWaalsContact C-N 3.29Å; S312-T314 PolarHBondContact O-N 2.75Å; S312-D528 WeakPolarHBondContact CB-OD2 3.37Å; S312-D528 PolarHBondContact OG-OD2 2.84Å; S312-T531 VanDerWaalsContact OG-CG2 3.29Å; S312-T531 WeakPolarHBondContact OG-CG2 3.48Å; S312-R588 PolarHBondContact O-NH1 3.24Å
313	R	86.9	Confident	83.4	Confident	147 Å²	147	41.9 Å²	41.9	56%	0.555	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.4	49.7	-174.7	-69.2	-179.2	168.3	178.2	-8.3	113.7	W308 S309 P310 D481	W308-R313 HydrophobicContact CZ2-CB 4.48Å; S309-R313 WeakPolarHBondContact O-CA 3.22Å; S309-R313 PolarHBondContact O-N 3.21Å; P310-R313 WeakPolarHBondContact O-CG 3.48Å; P310-R313 PolarHBondContact O-N 2.78Å; R313-D481 IonicContact CZ-OD1 3.68Å; R313-D481 IonicContact CZ-OD2 2.74Å; R313-D481 IonicContact NE-OD1 2.82Å; R313-D481 PolarHBondContact NE-OD1 2.85Å; R313-D481 IonicContact NH2-OD1 3.81Å; R313-D481 PolarHBondContact NH2-OD1 3.46Å; R313-D481 IonicContact NH2-OD2 3.17Å; R313-D481 PolarHBondContact NH2-OD2 3.06Å
314	T	85.6	Confident	83.4	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	154	179.5	-177.1	0	0	0	0	111.6	S309 S312 L316	S309-T314 PolarHBondContact N-O 3.36Å; S309-T314 VanDerWaalsContact N-O 3.11Å; S312-T314 VanDerWaalsContact C-N 3.29Å; S312-T314 PolarHBondContact O-N 2.75Å; T314-L316 HydrophobicContact CG2-CD2 4.1Å
315	A	86.7	Confident	83.5	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	148.7	159.3	0	0	0	0	0	110.8	I306 F307 W308 R586 Q587	I306-A315 HydrophobicContact CD1-CB 4Å; I306-A315 HydrophobicContact CG1-CB 4.19Å; F307-A315 CarbonylContact O-C 3.47Å; F307-A315 VanDerWaalsContact O-CA 3.32Å; F307-A315 WeakPolarHBondContact O-CA 3.15Å; W308-A315 HydrophobicContact CE3-CB 4.3Å; W308-A315 VanDerWaalsContact CE3-N 3.28Å; W308-A315 VanDerWaalsContact CZ3-N 3.34Å; A315-R586 WeakPolarHBondContact O-CD 3.5Å; A315-Q587 VanDerWaalsContact N-OE1 3.14Å
316	L	81.4	Confident	83.7	Confident	6 Å²	6	50 Å²	50	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.9	176.8	-64.5	-177.7	0	0	0	110.3	L223 F307 T314 E320 L321 D528 V535	L223-L316 HydrophobicContact CD2-CD2 4.44Å; F307-L316 HydrophobicContact CB-CB 4.37Å; F307-L316 PolarHBondContact O-N 3.43Å; T314-L316 HydrophobicContact CG2-CD2 4.1Å; L316-E320 HydrophobicContact CB-CB 4.14Å; L316-E320 HydrophobicContact CD2-CB 4.08Å; L316-L321 HydrophobicContact CB-CD2 4.14Å; L316-L321 HydrophobicContact CD1-CD2 3.8Å; L316-D528 HydrophobicContact CD1-CB 4.29Å; L316-V535 HydrophobicContact CD1-CG2 3.97Å
317	A	73	Confident	83.9	Confident	15 Å²	15	50.6 Å²	50.6	12%	0.124	26%	0.257	C	S	.	.			trans	-77.7	162.4	163.8	0	0	0	0	0	111.7	A319 E320 R586	A317-A319 PolarHBondContact O-N 2.89Å; A317-A319 VanDerWaalsContact O-N 3.12Å; A317-E320 HydrophobicContact CB-CG 4.33Å; A317-E320 PolarHBondContact N-OE2 2.77Å; A317-E320 WeakPolarHBondContact O-CA 3.26Å; A317-E320 WeakPolarHBondContact O-CB 3.13Å; A317-E320 PolarHBondContact O-N 3.26Å; A317-R586 VanDerWaalsContact CB-NH2 3.32Å
318	E	69.6	Low	84.2	Confident	138 Å²	138	53 Å²	53	65%	0.645	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-53	-32.7	173.8	-67.5	174.8	-166.9	0	0	113.3	F307 E320 L321	F307-E318 HydrophobicContact CE2-CG 3.89Å; E318-E320 PolarHBondContact O-N 2.8Å; E318-L321 PolarHBondContact O-N 2.95Å
319	A	61.8	Low	84.3	Confident	56 Å²	56	53.4 Å²	53.4	46%	0.463	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-73.9	-8.9	177.1	0	0	0	0	0	114.2	A317 W662	A317-A319 PolarHBondContact O-N 2.89Å; A317-A319 VanDerWaalsContact O-N 3.12Å; A319-W662 HydrophobicContact CB-CZ2 4.3Å
320	E	71.9	Confident	84.4	Confident	10 Å²	10	57.5 Å²	57.5	5%	0.047	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-104.6	12.3	178.9	-54.8	-179.2	85.8	0	0	111.6	L316 A317 E318 W529 R586	L316-E320 HydrophobicContact CB-CB 4.14Å; L316-E320 HydrophobicContact CD2-CB 4.08Å; A317-E320 HydrophobicContact CB-CG 4.33Å; A317-E320 PolarHBondContact N-OE2 2.77Å; A317-E320 WeakPolarHBondContact O-CA 3.26Å; A317-E320 WeakPolarHBondContact O-CB 3.13Å; A317-E320 PolarHBondContact O-N 3.26Å; E318-E320 PolarHBondContact O-N 2.8Å; E320-W529 HydrophobicContact CG-CZ2 4.34Å; E320-W529 WeakPolarHBondContact O-CB 3.41Å; E320-W529 VanDerWaalsContact O-CG 3.3Å; E320-W529 PolarHBondContact O-N 3.39Å; E320-R586 IonicContact OE2-CZ 3.71Å; E320-R586 IonicContact OE2-NE 3.16Å; E320-R586 PolarHBondContact OE2-NE 2.92Å; E320-R586 VanDerWaalsContact OE2-NE 3.12Å; E320-R586 IonicContact OE2-NH2 3.4Å; E320-R586 PolarHBondContact OE2-NH2 3.28Å
321	L	80.6	Confident	84.6	Confident	22 Å²	22	56.1 Å²	56.1	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.9	178.7	-56.4	174.3	0	0	0	110.9	F307 L316 E318 L526 V535	F307-L321 HydrophobicContact CB-CD1 4.21Å; F307-L321 HydrophobicContact CB-CD2 4.17Å; F307-L321 HydrophobicContact CD1-CD1 3.9Å; F307-L321 HydrophobicContact CD2-CD1 3.71Å; F307-L321 HydrophobicContact CE1-CD1 4.19Å; F307-L321 HydrophobicContact CE2-CD1 3.99Å; F307-L321 HydrophobicContact CG-CD1 3.66Å; F307-L321 HydrophobicContact CG-CD2 4.48Å; F307-L321 HydrophobicContact CZ-CD1 4.23Å; L316-L321 HydrophobicContact CB-CD2 4.14Å; L316-L321 HydrophobicContact CD1-CD2 3.8Å; E318-L321 PolarHBondContact O-N 2.95Å; L321-L526 HydrophobicContact CB-CD2 4.2Å; L321-L526 HydrophobicContact CD1-CD1 4.29Å; L321-L526 HydrophobicContact CD1-CD2 3.95Å; L321-V535 HydrophobicContact CD2-CB 4.42Å; L321-V535 HydrophobicContact CD2-CG1 4.12Å; L321-V535 HydrophobicContact CD2-CG2 3.94Å
322	E	81.1	Confident	85	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.374	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.6	167	-171.5	164.8	-136.3	0	0	109.7	Y527 W529 K532	E322-Y527 PolarHBondContact N-O 2.71Å; E322-Y527 PolarHBondContact O-N 3.25Å; E322-W529 HydrophobicContact CB-CB 4.32Å; E322-K532 IonicContact OE2-NZ 2.74Å; E322-K532 PolarHBondContact OE2-NZ 3.39Å
323	Y	84.7	Confident	85.7	Confident	153 Å²	153	53.5 Å²	53.5	60%	0.6	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.3	176.8	-76.7	-90.1	0	0	0	109.5	P325 Y525 L526	Y323-P325 WeakPolarHBondContact O-CD 3.32Å; Y323-Y525 WeakPolarHBondContact CA-O 3.36Å; Y323-L526 HydrophobicContact CD1-CD2 3.93Å; Y323-L526 HydrophobicContact CD2-CD2 4.45Å; Y323-L526 HydrophobicContact CE1-CD2 3.4Å; Y323-L526 VanDerWaalsContact CE1-CD2 3.4Å; Y323-L526 HydrophobicContact CE1-CG 4.28Å; Y323-L526 HydrophobicContact CE2-CD2 3.99Å; Y323-L526 HydrophobicContact CG-CD2 4.43Å; Y323-L526 VanDerWaalsContact CZ-CD2 3.44Å
324	N	88	Confident	86.2	Confident	45 Å²	45	46.5 Å²	46.5	24%	0.241	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	111	170.9	179.9	2.1	0	0	0	109.4	E326 H327 S524 Y525 Y527	N324-E326 VanDerWaalsContact C-N 3.29Å; N324-E326 PolarHBondContact O-N 2.62Å; N324-E326 PolarHBondContact OD1-N 2.86Å; N324-H327 HydrophobicContact CB-CB 4.46Å; N324-S524 VanDerWaalsContact O-CA 3.32Å; N324-S524 WeakPolarHBondContact O-CA 3.43Å; N324-Y525 PolarHBondContact N-O 2.88Å; N324-Y525 PolarHBondContact O-N 2.96Å; N324-Y527 HydrophobicContact CB-CD1 4.3Å; N324-Y527 HydrophobicContact CB-CD2 3.62Å; N324-Y527 HydrophobicContact CB-CE1 4.39Å; N324-Y527 HydrophobicContact CB-CE2 3.71Å; N324-Y527 HydrophobicContact CB-CG 3.97Å; N324-Y527 PolarHBondContact ND2-OH 3.28Å
325	P	87.7	Confident	86.8	Confident	88 Å²	88	46.5 Å²	46.5	57%	0.571	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	-14	-179.3	32.2	-35.1	0	0	0	114.1	Y323	Y323-P325 WeakPolarHBondContact O-CD 3.32Å
326	E	92.4	Very high	87.3	Confident	157 Å²	157	46.5 Å²	46.5	73%	0.734	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	11.6	-176.8	-59	-174	156.5	0	0	112.5	N324 V328	N324-E326 VanDerWaalsContact C-N 3.29Å; N324-E326 PolarHBondContact O-N 2.62Å; N324-E326 PolarHBondContact OD1-N 2.86Å; E326-V328 PolarHBondContact O-N 3.22Å
327	H	93.7	Very high	88	Confident	18 Å²	18	48.5 Å²	48.5	8%	0.083	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	126.3	179.3	176.4	85.6	0	0	0	111.2	N324 S329 V522 H523 Y525 Y527	N324-H327 HydrophobicContact CB-CB 4.46Å; H327-S329 PolarHBondContact CD2-OG 3.01Å; H327-S329 PolarHBondContact NE2-OG 3.04Å; H327-V522 WeakPolarHBondContact O-CA 3.41Å; H327-H523 AromaticContact CD2-NE2 3.87Å; H327-H523 PolarHBondContact N-O 3.14Å; H327-H523 PolarHBondContact O-N 3.01Å; H327-Y525 VanDerWaalsContact CD2-CB 3.43Å; H327-Y525 WeakPolarHBondContact CD2-CB 3.32Å; H327-Y525 AromaticContact CD2-CD2 3.96Å; H327-Y525 AromaticContact CD2-CG 3.64Å; H327-Y525 VanDerWaalsContact CG-CB 3.44Å; H327-Y525 AromaticContact CG-CG 3.96Å; H327-Y525 AromaticContact NE2-CG 3.91Å; H327-Y527 HydrophobicContact CB-CE2 4.03Å; H327-Y527 AromaticContact CG-CE2 3.95Å; H327-Y527 AromaticContact ND1-CE2 3.5Å; H327-Y527 WeakPolarHBondContact ND1-CE2 3.4Å; H327-Y527 AromaticContact ND1-CZ 3.67Å; H327-Y527 PolarHBondContact ND1-OH 3.44Å
328	V	95	Very high	89.1	Confident	76 Å²	76	49.1 Å²	49.1	46%	0.461	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.8	177.2	-173.2	0	0	0	0	109.4	E326 Q520 V522	E326-V328 PolarHBondContact O-N 3.22Å; V328-Q520 HydrophobicContact CG1-CB 4.07Å; V328-Q520 HydrophobicContact CG1-CG 4.28Å; V328-V522 HydrophobicContact CG2-CG2 4.32Å
329	S	94.4	Very high	90.1	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.2	169.4	-51.7	0	0	0	0	111.2	H327 A331 T361 C521 H523	H327-S329 PolarHBondContact CD2-OG 3.01Å; H327-S329 PolarHBondContact NE2-OG 3.04Å; S329-A331 PolarHBondContact O-N 3.16Å; S329-T361 WeakPolarHBondContact CB-O 3.2Å; S329-C521 PolarHBondContact N-O 3.3Å; S329-C521 PolarHBondContact O-N 3.06Å; S329-H523 PolarHBondContact OG-NE2 3.29Å
330	R	95.1	Very high	91.6	Very high	85 Å²	85	44.6 Å²	44.6	32%	0.321	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	102	166.4	-62.1	178.4	72.6	-178.2	0.5	107.8	P363 D503 I506 E518	R330-P363 VanDerWaalsContact O-CD 3.28Å; R330-P363 WeakPolarHBondContact O-CD 3.37Å; R330-P363 WeakPolarHBondContact O-CG 3.38Å; R330-D503 IonicContact CZ-OD1 3.63Å; R330-D503 IonicContact NH1-OD1 2.75Å; R330-D503 PolarHBondContact NH1-OD1 3.42Å; R330-I506 HydrophobicContact CB-CD1 4.17Å; R330-I506 VanDerWaalsContact CZ-CD1 3.44Å; R330-E518 IonicContact CZ-OE1 2.66Å; R330-E518 IonicContact CZ-OE2 3.28Å; R330-E518 IonicContact NE-OE1 2.73Å; R330-E518 PolarHBondContact NE-OE1 3.13Å; R330-E518 IonicContact NE-OE2 3.82Å; R330-E518 IonicContact NH2-OE1 3.45Å; R330-E518 PolarHBondContact NH2-OE1 2.8Å; R330-E518 IonicContact NH2-OE2 3.42Å; R330-E518 PolarHBondContact NH2-OE2 3.24Å
331	A	95.9	Very high	92.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	144.8	176.8	0	0	0	0	0	110.7	S329 W359 T360 T361 E518 E519 C521	S329-A331 PolarHBondContact O-N 3.16Å; A331-W359 HydrophobicContact CB-CZ2 4.44Å; A331-T360 CarbonylContact C-O 3.48Å; A331-T360 VanDerWaalsContact CA-O 3.27Å; A331-T360 WeakPolarHBondContact CA-O 3.41Å; A331-T361 HydrophobicContact CB-CG2 4.1Å; A331-E518 CarbonylContact O-C 3.54Å; A331-E518 WeakPolarHBondContact O-CA 3.42Å; A331-E519 HydrophobicContact CB-CG 3.86Å; A331-E519 PolarHBondContact N-O 3.02Å; A331-E519 PolarHBondContact O-N 3.3Å; A331-C521 HydrophobicContact CB-CB 3.71Å
332	I	97.6	Very high	92.9	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.8	-178	56.4	167.4	0	0	0	111.8	A334 W359 T360 P363 I366 I506 L509 L515 L517 E518	I332-A334 HydrophobicContact CD1-CB 4.38Å; I332-W359 VanDerWaalsContact O-CA 3.3Å; I332-W359 WeakPolarHBondContact O-CA 3.43Å; I332-T360 HydrophobicContact CD1-CG2 3.9Å; I332-T360 HydrophobicContact CG1-CG2 3.65Å; I332-T360 PolarHBondContact N-O 3.36Å; I332-T360 PolarHBondContact O-N 3.33Å; I332-T360 VanDerWaalsContact O-N 3.17Å; I332-P363 HydrophobicContact CD1-CB 3.87Å; I332-P363 HydrophobicContact CD1-CG 4.15Å; I332-P363 HydrophobicContact CG1-CB 4.38Å; I332-P363 HydrophobicContact CG1-CG 4.11Å; I332-P363 HydrophobicContact CG2-CG 4.06Å; I332-I366 HydrophobicContact CD1-CG1 4.14Å; I332-I506 HydrophobicContact CG2-CD1 4.38Å; I332-I506 HydrophobicContact CG2-CG1 4.14Å; I332-L509 HydrophobicContact CD1-CD1 3.46Å; I332-L509 VanDerWaalsContact CD1-CD1 3.46Å; I332-L515 HydrophobicContact CB-CD1 4.02Å; I332-L515 HydrophobicContact CG2-CD1 3.83Å; I332-L517 WeakPolarHBondContact CA-O 3.38Å; I332-E518 HydrophobicContact CG2-CB 4.45Å; I332-E518 HydrophobicContact CG2-CG 4.13Å
333	Y	97.4	Very high	93.2	Very high	13 Å²	13	46.3 Å²	46.3	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.7	160.5	-68.1	-96.9	0	0	0	107.9	L357 V358 W359 L402 L405 T450 V516 L517 E519	Y333-L357 HydrophobicContact CD1-CD2 4.07Å; Y333-V358 WeakPolarHBondContact CA-O 3.1Å; Y333-W359 HydrophobicContact CD1-CB 4.13Å; Y333-W359 HydrophobicContact CD1-CG 4.47Å; Y333-W359 AromaticContact CD2-CD1 3.82Å; Y333-W359 HydrophobicContact CE1-CB 4.03Å; Y333-W359 AromaticContact CE1-CD1 3.63Å; Y333-W359 HydrophobicContact CE1-CG 4.09Å; Y333-W359 AromaticContact CE2-CD1 3.4Å; Y333-W359 VanDerWaalsContact CE2-CD1 3.4Å; Y333-W359 AromaticContact CE2-NE1 3.81Å; Y333-W359 AromaticContact CZ-CD1 3.3Å; Y333-W359 AromaticContact CZ-NE1 3.81Å; Y333-L402 HydrophobicContact CD1-CD1 4.03Å; Y333-L402 HydrophobicContact CE1-CD1 3.94Å; Y333-L405 HydrophobicContact CD2-CD2 4.5Å; Y333-L405 HydrophobicContact CE2-CD2 3.55Å; Y333-L405 WeakPolarHBondContact OH-CD2 3.3Å; Y333-T450 HydrophobicContact CD1-CG2 3.71Å; Y333-T450 HydrophobicContact CE1-CG2 3.79Å; Y333-V516 PolarHBondContact O-N 3.47Å; Y333-L517 HydrophobicContact CD2-CB 3.96Å; Y333-L517 HydrophobicContact CD2-CD2 3.95Å; Y333-L517 HydrophobicContact CD2-CG 4.24Å; Y333-L517 HydrophobicContact CE2-CD2 4.09Å; Y333-L517 HydrophobicContact CG-CB 4.45Å; Y333-L517 PolarHBondContact N-O 2.73Å; Y333-L517 PolarHBondContact O-N 2.82Å; Y333-E519 WeakPolarHBondContact CE2-OE1 3.44Å
334	A	97.6	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144	-174.1	0	0	0	0	0	111.9	I332 V358 L509 A514	I332-A334 HydrophobicContact CD1-CB 4.38Å; A334-V358 HydrophobicContact CB-CG2 4.17Å; A334-V358 PolarHBondContact N-O 3.42Å; A334-V358 WeakPolarHBondContact O-CG2 3.48Å; A334-V358 PolarHBondContact O-N 3.13Å; A334-L509 HydrophobicContact CB-CD1 4.39Å; A334-L509 HydrophobicContact CB-CD2 4.22Å; A334-A514 CarbonylContact C-O 3.46Å; A334-A514 VanDerWaalsContact CA-O 3.32Å; A334-A514 WeakPolarHBondContact CA-O 3.36Å
335	T	97.6	Very high	93.1	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.2	176.7	43.3	0	0	0	0	113.1	V356 L357 L392 A514 V516	T335-V356 CarbonylContact C-O 3.5Å; T335-V356 WeakPolarHBondContact CA-O 3.39Å; T335-L357 HydrophobicContact CG2-CD1 3.91Å; T335-L392 HydrophobicContact CG2-CD2 3.46Å; T335-L392 VanDerWaalsContact CG2-CD2 3.46Å; T335-A514 PolarHBondContact N-O 2.98Å; T335-A514 VanDerWaalsContact OG1-CA 3.29Å; T335-A514 WeakPolarHBondContact OG1-CA 3.36Å; T335-A514 PolarHBondContact OG1-O 2.89Å; T335-A514 VanDerWaalsContact OG1-O 3.1Å; T335-V516 HydrophobicContact CG2-CG2 3.8Å
336	F	97.8	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	94.1	171.1	-83.7	-111.9	0	0	0	107.2	L338 V356 V358 I366 N369 V372 C426 P429 V436	F336-L338 PolarHBondContact O-N 3.43Å; F336-V356 HydrophobicContact CB-CB 4.17Å; F336-V356 HydrophobicContact CB-CG1 4.34Å; F336-V356 PolarHBondContact N-O 3.45Å; F336-V356 PolarHBondContact O-N 3.14Å; F336-V358 HydrophobicContact CD2-CG1 4.19Å; F336-V358 HydrophobicContact CD2-CG2 3.72Å; F336-V358 HydrophobicContact CE2-CG1 4.48Å; F336-V358 HydrophobicContact CE2-CG2 3.53Å; F336-I366 HydrophobicContact CE2-CD1 4.26Å; F336-I366 HydrophobicContact CZ-CD1 4.34Å; F336-I366 HydrophobicContact CZ-CG2 4.42Å; F336-N369 HydrophobicContact CE1-CB 4.46Å; F336-N369 WeakPolarHBondContact CE1-OD1 3.37Å; F336-N369 HydrophobicContact CZ-CB 4.43Å; F336-V372 HydrophobicContact CD1-CG2 4.07Å; F336-V372 HydrophobicContact CE1-CG2 4.41Å; F336-V372 HydrophobicContact CG-CG2 4.3Å; F336-C426 HydrophobicContact CB-CB 3.9Å; F336-C426 HydrophobicContact CD1-CB 4.3Å; F336-C426 PolarHBondContact O-SG 2.99Å; F336-C426 VanDerWaalsContact O-SG 3.36Å; F336-P429 HydrophobicContact CD2-CG 4.12Å; F336-P429 VanDerWaalsContact CE1-CD 3.43Å; F336-P429 HydrophobicContact CE1-CG 4.26Å; F336-P429 HydrophobicContact CE2-CG 3.75Å; F336-P429 HydrophobicContact CZ-CG 3.84Å; F336-V436 HydrophobicContact CD1-CG2 3.88Å; F336-V436 HydrophobicContact CE1-CG2 4.08Å
337	P	96.2	Very high	91.5	Very high	49 Å²	49	38 Å²	38	32%	0.318	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	133.5	-174.4	-24.6	34.9	0	0	0	112.1	A339 C426 K427	P337-A339 PolarHBondContact O-N 3.43Å; P337-C426 CarbonylContact O-C 3.55Å; P337-C426 VanDerWaalsContact O-CA 3.32Å; P337-C426 WeakPolarHBondContact O-CA 3.42Å; P337-K427 PolarHBondContact O-N 3.07Å
338	L	94.4	Very high	90.6	Very high	28 Å²	28	42.2 Å²	42.2	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	118.9	178.1	-73.5	169.2	0	0	0	110.8	F336 L341 V354 V356 L393 I425 L438	F336-L338 PolarHBondContact O-N 3.43Å; L338-L341 HydrophobicContact CD1-CD2 4.02Å; L338-V354 WeakPolarHBondContact CB-O 3.39Å; L338-V354 HydrophobicContact CD1-CB 4.12Å; L338-V354 HydrophobicContact CD1-CG1 3.86Å; L338-V354 PolarHBondContact N-O 2.89Å; L338-V356 HydrophobicContact CD1-CG2 4.46Å; L338-V356 HydrophobicContact CD2-CG2 4.06Å; L338-V356 HydrophobicContact CG-CG2 4.2Å; L338-L393 HydrophobicContact CD1-CD2 4.38Å; L338-I425 CarbonylContact C-O 3.55Å; L338-I425 WeakPolarHBondContact CA-O 3.43Å; L338-L438 HydrophobicContact CD2-CD1 4.25Å
339	A	92.4	Very high	89.5	Confident	38 Å²	38	46.4 Å²	46.4	31%	0.314	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-27.5	167.1	0	0	0	0	0	111.6	P337 I425 K427	P337-A339 PolarHBondContact O-N 3.43Å; A339-I425 PolarHBondContact N-O 2.78Å; A339-K427 HydrophobicContact CB-CG 3.85Å
340	T	92.2	Very high	88.7	Confident	60 Å²	60	48.2 Å²	48.2	37%	0.368	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	120.8	178.1	-55.9	0	0	0	0	108.9	G424 I425	T340-G424 WeakPolarHBondContact O-CA 3.02Å; T340-I425 PolarHBondContact N-O 3.26Å; T340-I425 PolarHBondContact O-N 3.45Å
341	L	90.1	Very high	88.1	Confident	55 Å²	55	44.5 Å²	44.5	29%	0.288	27%	0.269	S	S	.	.			trans	-68.6	138.6	171.6	-78.2	163.5	0	0	0	109.7	L338 I345 L351	L338-L341 HydrophobicContact CD1-CD2 4.02Å; L341-I345 HydrophobicContact CD2-CD1 4.42Å; L341-L351 HydrophobicContact CD1-CB 4.47Å; L341-L351 HydrophobicContact CD2-CB 4.38Å
342	P	90.3	Very high	87.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.303	C	S	.	.			trans	-53.3	131.7	171.6	-22	28.5	0	0	0	111.6	K344 I345 S346 Q420 L421	P342-K344 PolarHBondContact O-N 2.76Å; P342-I345 HydrophobicContact CB-CD1 4.43Å; P342-I345 HydrophobicContact CB-CG1 4.08Å; P342-I345 HydrophobicContact CG-CD1 3.94Å; P342-I345 HydrophobicContact CG-CG1 4.08Å; P342-I345 PolarHBondContact O-N 3.42Å; P342-S346 PolarHBondContact O-N 2.99Å; P342-S346 VanDerWaalsContact O-N 3.09Å; P342-Q420 WeakPolarHBondContact CB-O 3.32Å; P342-L421 HydrophobicContact CG-CD2 4.43Å; P342-L421 WeakPolarHBondContact CG-O 3.18Å
343	P	87.5	Confident	86.9	Confident	93 Å²	93	58.7 Å²	58.7	60%	0.604	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.1	-175.8	-27.4	35.7	0	0	0	115.6	S346	P343-S346 PolarHBondContact O-OG 3.33Å
344	K	85.6	Confident	86.8	Confident	97 Å²	97	58.2 Å²	58.2	42%	0.422	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.6	177.9	-60.7	167.7	-176.6	175.1	0	113.7	P342 S419 Q420 E422	P342-K344 PolarHBondContact O-N 2.76Å; K344-S419 PolarHBondContact NZ-O 3.34Å; K344-Q420 HydrophobicContact CB-CB 3.97Å; K344-Q420 HydrophobicContact CB-CG 4.25Å; K344-Q420 HydrophobicContact CD-CB 4.48Å; K344-Q420 PolarHBondContact O-NE2 2.98Å; K344-E422 IonicContact NZ-OE2 2.64Å; K344-E422 PolarHBondContact NZ-OE2 3.48Å
345	I	84.8	Confident	86.7	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.01	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-7	173.2	77.2	176	0	0	0	113.1	L341 P342 S347 E348 L351 F416 Q420 L421	L341-I345 HydrophobicContact CD2-CD1 4.42Å; P342-I345 HydrophobicContact CB-CD1 4.43Å; P342-I345 HydrophobicContact CB-CG1 4.08Å; P342-I345 HydrophobicContact CG-CD1 3.94Å; P342-I345 HydrophobicContact CG-CG1 4.08Å; P342-I345 PolarHBondContact O-N 3.42Å; I345-S347 PolarHBondContact O-N 2.8Å; I345-E348 PolarHBondContact O-N 3Å; I345-L351 HydrophobicContact CB-CD1 4.45Å; I345-L351 HydrophobicContact CD1-CD1 4.25Å; I345-L351 HydrophobicContact CG1-CD1 4.32Å; I345-F416 HydrophobicContact CB-CD1 4.31Å; I345-F416 HydrophobicContact CD1-CD1 4.46Å; I345-F416 HydrophobicContact CD1-CE1 4.03Å; I345-F416 HydrophobicContact CD1-CZ 4.2Å; I345-F416 HydrophobicContact CG2-CB 4.22Å; I345-F416 HydrophobicContact CG2-CD1 3.71Å; I345-F416 HydrophobicContact CG2-CE1 4.3Å; I345-F416 HydrophobicContact CG2-CG 3.91Å; I345-Q420 HydrophobicContact CG2-CB 3.93Å; I345-L421 HydrophobicContact CD1-CD2 4.42Å
346	S	75.6	Confident	86.7	Confident	70 Å²	70	58.6 Å²	58.6	49%	0.49	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	5.9	-177.9	62.7	0	0	0	0	115.1	P342 P343	P342-S346 PolarHBondContact O-N 2.99Å; P342-S346 VanDerWaalsContact O-N 3.09Å; P343-S346 PolarHBondContact O-OG 3.33Å
347	S	71.4	Confident	86.7	Confident	101 Å²	101	58.6 Å²	58.6	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	0.9	174	57.2	0	0	0	0	113.5	I345	I345-S347 PolarHBondContact O-N 2.8Å
348	E	74.1	Confident	86.8	Confident	106 Å²	106	56.3 Å²	56.3	50%	0.495	33%	0.326	S	S	.	.	S	Bend	trans	-86.7	124.6	176.7	-62.8	-66.8	154.8	0	0	110.3	I345 L351	I345-E348 PolarHBondContact O-N 3Å; E348-L351 HydrophobicContact CB-CD1 3.72Å; E348-L351 HydrophobicContact CB-CG 3.97Å; E348-L351 HydrophobicContact CG-CD1 4.38Å
349	D	71.9	Confident	86.9	Confident	163 Å²	163	57.8 Å²	57.8	87%	0.872	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	142.2	178.1	-77.8	-42.4	0	0	0	111.9
350	G	76.3	Confident	87	Confident	48 Å²	48	56.7 Å²	56.7	50%	0.495	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	11	174.8	0	0	0	0	0	116	E352 L391	G350-E352 PolarHBondContact O-N 2.87Å; G350-L391 WeakPolarHBondContact O-CD1 3.07Å
351	L	82.9	Confident	87.2	Confident	7 Å²	7	55 Å²	55	4%	0.037	31%	0.309	C	S	.	.			trans	-86.2	32.6	173.5	-60.1	-165.5	0	0	0	114.2	L341 I345 E348 V354 V382 V413 A414	L341-L351 HydrophobicContact CD1-CB 4.47Å; L341-L351 HydrophobicContact CD2-CB 4.38Å; I345-L351 HydrophobicContact CB-CD1 4.45Å; I345-L351 HydrophobicContact CD1-CD1 4.25Å; I345-L351 HydrophobicContact CG1-CD1 4.32Å; E348-L351 HydrophobicContact CB-CD1 3.72Å; E348-L351 HydrophobicContact CB-CG 3.97Å; E348-L351 HydrophobicContact CG-CD1 4.38Å; L351-V354 HydrophobicContact CB-CG2 4.03Å; L351-V354 HydrophobicContact CD2-CG2 4.36Å; L351-V354 WeakPolarHBondContact O-CG2 3.3Å; L351-V382 HydrophobicContact CD2-CB 3.95Å; L351-V382 HydrophobicContact CD2-CG1 4.06Å; L351-V382 HydrophobicContact CD2-CG2 3.81Å; L351-V413 HydrophobicContact CD2-CG1 4.06Å; L351-A414 HydrophobicContact CD2-CB 4.09Å
352	E	81.3	Confident	87.4	Confident	153 Å²	153	54.1 Å²	54.1	72%	0.715	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	133.1	178.7	-63	-177.8	-178.3	0	0	112	G350 V354 L391	G350-E352 PolarHBondContact O-N 2.87Å; E352-V354 VanDerWaalsContact C-N 3.27Å; E352-V354 PolarHBondContact O-N 3.28Å; E352-L391 WeakPolarHBondContact O-CD1 3.25Å
353	N	87.8	Confident	87.7	Confident	145 Å²	145	54.2 Å²	54.2	78%	0.775	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.1	175.9	-51.7	-70.9	0	0	0	115.5	S355	N353-S355 PolarHBondContact O-N 3.3Å
354	V	94.6	Very high	88.1	Confident	4 Å²	4	50 Å²	50	2%	0.024	28%	0.276	C	S	.	.			trans	-57.5	133.8	174.7	175.9	0	0	0	0	111.4	L338 L351 E352 V382 L391 L393	L338-V354 WeakPolarHBondContact CB-O 3.39Å; L338-V354 HydrophobicContact CD1-CB 4.12Å; L338-V354 HydrophobicContact CD1-CG1 3.86Å; L338-V354 PolarHBondContact N-O 2.89Å; L351-V354 HydrophobicContact CB-CG2 4.03Å; L351-V354 HydrophobicContact CD2-CG2 4.36Å; L351-V354 WeakPolarHBondContact O-CG2 3.3Å; E352-V354 VanDerWaalsContact C-N 3.27Å; E352-V354 PolarHBondContact O-N 3.28Å; V354-V382 HydrophobicContact CG1-CG1 4.39Å; V354-V382 HydrophobicContact CG1-CG2 3.93Å; V354-V382 HydrophobicContact CG2-CG1 3.94Å; V354-V382 HydrophobicContact CG2-CG2 4.1Å; V354-L391 HydrophobicContact CB-CB 4.45Å; V354-L391 HydrophobicContact CG2-CB 3.93Å; V354-L391 HydrophobicContact CG2-CD1 3.78Å; V354-L393 HydrophobicContact CG1-CB 3.87Å
355	S	96.6	Very high	88.6	Confident	12 Å²	12	45.5 Å²	45.5	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.6	173.3	-65.5	0	0	0	0	111.9	N353 L391 L392 L393	N353-S355 PolarHBondContact O-N 3.3Å; S355-L391 PolarHBondContact N-O 2.71Å; S355-L392 CarbonylContact O-C 3.4Å; S355-L392 WeakPolarHBondContact O-CA 3.4Å; S355-L393 PolarHBondContact O-N 3.03Å
356	V	97.4	Very high	89.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125	170.8	159.7	0	0	0	0	109.1	T335 F336 L338 V358 V372 L393 L438 L452	T335-V356 CarbonylContact C-O 3.5Å; T335-V356 WeakPolarHBondContact CA-O 3.39Å; F336-V356 HydrophobicContact CB-CB 4.17Å; F336-V356 HydrophobicContact CB-CG1 4.34Å; F336-V356 PolarHBondContact N-O 3.45Å; F336-V356 PolarHBondContact O-N 3.14Å; L338-V356 HydrophobicContact CD1-CG2 4.46Å; L338-V356 HydrophobicContact CD2-CG2 4.06Å; L338-V356 HydrophobicContact CG-CG2 4.2Å; V356-V358 HydrophobicContact CG1-CG1 4.11Å; V356-V372 HydrophobicContact CG1-CB 4.41Å; V356-V372 HydrophobicContact CG1-CG1 3.84Å; V356-V372 HydrophobicContact CG1-CG2 4.43Å; V356-L393 HydrophobicContact CG2-CB 4.3Å; V356-L393 HydrophobicContact CG2-CD2 3.75Å; V356-L393 HydrophobicContact CG2-CG 4.17Å; V356-L438 HydrophobicContact CG2-CD1 4.35Å; V356-L438 HydrophobicContact CG2-CD2 4.14Å; V356-L452 HydrophobicContact CG1-CB 4.45Å; V356-L452 HydrophobicContact CG1-CD1 3.95Å
357	L	97.6	Very high	90.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116	178	-166.7	76.8	0	0	0	110.1	Y333 T335 L392 L393 L402 T450 V516	Y333-L357 HydrophobicContact CD1-CD2 4.07Å; T335-L357 HydrophobicContact CG2-CD1 3.91Å; L357-L392 HydrophobicContact CD1-CD1 4.37Å; L357-L392 HydrophobicContact CD1-CD2 4.17Å; L357-L392 HydrophobicContact CD2-CD1 4.3Å; L357-L393 PolarHBondContact N-O 2.84Å; L357-L402 HydrophobicContact CD2-CD1 4.28Å; L357-L402 HydrophobicContact CD2-CD2 3.41Å; L357-L402 VanDerWaalsContact CD2-CD2 3.41Å; L357-T450 HydrophobicContact CB-CG2 4.27Å; L357-T450 HydrophobicContact CD2-CG2 3.69Å; L357-T450 HydrophobicContact CG-CG2 3.87Å; L357-T450 WeakPolarHBondContact O-CB 3.29Å; L357-T450 WeakPolarHBondContact O-CG2 3.48Å; L357-T450 PolarHBondContact O-OG1 3.17Å; L357-V516 HydrophobicContact CD1-CB 4.05Å; L357-V516 HydrophobicContact CD1-CG1 4.28Å; L357-V516 HydrophobicContact CD1-CG2 3.76Å
358	V	97.4	Very high	91.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	158.7	173	-57.7	0	0	0	0	110.9	Y333 A334 F336 V356 V372 H454	Y333-V358 WeakPolarHBondContact CA-O 3.1Å; A334-V358 HydrophobicContact CB-CG2 4.17Å; A334-V358 PolarHBondContact N-O 3.42Å; A334-V358 WeakPolarHBondContact O-CG2 3.48Å; A334-V358 PolarHBondContact O-N 3.13Å; F336-V358 HydrophobicContact CD2-CG1 4.19Å; F336-V358 HydrophobicContact CD2-CG2 3.72Å; F336-V358 HydrophobicContact CE2-CG1 4.48Å; F336-V358 HydrophobicContact CE2-CG2 3.53Å; V356-V358 HydrophobicContact CG1-CG1 4.11Å; V358-V372 HydrophobicContact CG1-CG1 3.62Å; V358-V372 HydrophobicContact CG1-CG2 4.02Å; V358-H454 HydrophobicContact CB-CB 4.04Å; V358-H454 HydrophobicContact CG1-CB 4Å; V358-H454 HydrophobicContact CG2-CB 4.02Å
359	W	96.5	Very high	92.3	Very high	59 Å²	59	32.4 Å²	32.4	22%	0.223	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.7	171.4	173.1	86.3	0	0	0	110.5	A331 I332 Y333 T361 T450 E519	A331-W359 HydrophobicContact CB-CZ2 4.44Å; I332-W359 VanDerWaalsContact O-CA 3.3Å; I332-W359 WeakPolarHBondContact O-CA 3.43Å; Y333-W359 HydrophobicContact CD1-CB 4.13Å; Y333-W359 HydrophobicContact CD1-CG 4.47Å; Y333-W359 AromaticContact CD2-CD1 3.82Å; Y333-W359 HydrophobicContact CE1-CB 4.03Å; Y333-W359 AromaticContact CE1-CD1 3.63Å; Y333-W359 HydrophobicContact CE1-CG 4.09Å; Y333-W359 AromaticContact CE2-CD1 3.4Å; Y333-W359 VanDerWaalsContact CE2-CD1 3.4Å; Y333-W359 AromaticContact CE2-NE1 3.81Å; Y333-W359 AromaticContact CZ-CD1 3.3Å; Y333-W359 AromaticContact CZ-NE1 3.81Å; W359-T361 HydrophobicContact CH2-CG2 3.75Å; W359-T361 HydrophobicContact CZ2-CG2 3.78Å; W359-T450 HydrophobicContact CB-CG2 4.12Å; W359-E519 PolarHBondContact NE1-OE1 3.22Å
360	T	95.9	Very high	93.5	Very high	14 Å²	14	25.6 Å²	25.6	9%	0.086	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	148.7	172.8	-174.4	0	0	0	0	112.3	A331 I332 Q362 I366	A331-T360 CarbonylContact C-O 3.48Å; A331-T360 VanDerWaalsContact CA-O 3.27Å; A331-T360 WeakPolarHBondContact CA-O 3.41Å; I332-T360 HydrophobicContact CD1-CG2 3.9Å; I332-T360 HydrophobicContact CG1-CG2 3.65Å; I332-T360 PolarHBondContact N-O 3.36Å; I332-T360 PolarHBondContact O-N 3.33Å; I332-T360 VanDerWaalsContact O-N 3.17Å; T360-Q362 PolarHBondContact OG1-N 3.07Å; T360-I366 HydrophobicContact CG2-CD1 4.13Å; T360-I366 HydrophobicContact CG2-CG1 4.31Å
361	T	95.1	Very high	94.5	Very high	24 Å²	24	23.3 Å²	23.3	15%	0.147	12%	0.116	C	C	.	.	S	Bend	trans	-89.5	-1.6	168.6	49.2	0	0	0	0	113.1	S329 A331 W359 C521	S329-T361 WeakPolarHBondContact CB-O 3.2Å; A331-T361 HydrophobicContact CB-CG2 4.1Å; W359-T361 HydrophobicContact CH2-CG2 3.75Å; W359-T361 HydrophobicContact CZ2-CG2 3.78Å; T361-C521 HydrophobicContact CG2-CB 4.19Å
362	Q	95.3	Very high	95.2	Very high	37 Å²	37	23 Å²	23	17%	0.173	12%	0.115	C	C	.	.			trans	-126.3	75.5	-179.8	-67.8	176.3	-24.9	0	0	110.9	T360 W364 T365 Y525	T360-Q362 PolarHBondContact OG1-N 3.07Å; Q362-W364 PolarHBondContact O-N 3.01Å; Q362-W364 VanDerWaalsContact O-N 3.13Å; Q362-T365 HydrophobicContact CB-CG2 3.91Å; Q362-T365 PolarHBondContact O-N 2.81Å; Q362-T365 PolarHBondContact O-OG1 3.01Å; Q362-Y525 PolarHBondContact NE2-OH 3.43Å
363	P	96.6	Very high	95.9	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.019	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-54	-36.6	-176.7	-27.3	35.8	0	0	0	113.5	R330 I332 T365 I366 T502 V505 I506	R330-P363 VanDerWaalsContact O-CD 3.28Å; R330-P363 WeakPolarHBondContact O-CD 3.37Å; R330-P363 WeakPolarHBondContact O-CG 3.38Å; I332-P363 HydrophobicContact CD1-CB 3.87Å; I332-P363 HydrophobicContact CD1-CG 4.15Å; I332-P363 HydrophobicContact CG1-CB 4.38Å; I332-P363 HydrophobicContact CG1-CG 4.11Å; I332-P363 HydrophobicContact CG2-CG 4.06Å; P363-T365 PolarHBondContact O-N 3.21Å; P363-I366 WeakPolarHBondContact O-CB 3.41Å; P363-I366 VanDerWaalsContact O-CG1 3.28Å; P363-I366 WeakPolarHBondContact O-CG1 3.5Å; P363-I366 PolarHBondContact O-N 2.98Å; P363-T502 HydrophobicContact CB-CG2 4.12Å; P363-T502 HydrophobicContact CG-CG2 3.94Å; P363-V505 VanDerWaalsContact O-CG1 3.3Å; P363-V505 WeakPolarHBondContact O-CG1 3.42Å; P363-I506 HydrophobicContact CB-CD1 4.29Å; P363-I506 HydrophobicContact CB-CG1 3.88Å; P363-I506 HydrophobicContact CG-CD1 4.07Å; P363-I506 HydrophobicContact CG-CG1 4.15Å
364	W	96.1	Very high	96.3	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.015	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.3	177.9	68.3	-96.7	0	0	0	115.2	Q362 P367 H459 V478 F484 V497 V536	Q362-W364 PolarHBondContact O-N 3.01Å; Q362-W364 VanDerWaalsContact O-N 3.13Å; W364-P367 WeakPolarHBondContact O-CD 3.33Å; W364-H459 HydrophobicContact CH2-CB 4.07Å; W364-H459 AromaticContact CH2-CG 3.79Å; W364-H459 AromaticContact CH2-ND1 3.68Å; W364-H459 HydrophobicContact CZ3-CB 4.3Å; W364-H459 AromaticContact CZ3-CD2 3.85Å; W364-H459 AromaticContact CZ3-CE1 3.8Å; W364-H459 AromaticContact CZ3-CG 3.64Å; W364-H459 AromaticContact CZ3-ND1 3.61Å; W364-H459 AromaticContact CZ3-NE2 3.96Å; W364-V478 HydrophobicContact CE3-CG2 4.35Å; W364-V478 HydrophobicContact CZ3-CG2 3.9Å; W364-F484 HydrophobicContact CB-CE2 4.37Å; W364-F484 HydrophobicContact CB-CZ 3.95Å; W364-F484 WeakPolarHBondContact O-CZ 3.47Å; W364-V497 HydrophobicContact CB-CB 4.03Å; W364-V497 WeakPolarHBondContact CB-O 3.27Å; W364-V497 HydrophobicContact CD2-CB 3.67Å; W364-V497 HydrophobicContact CD2-CG2 3.76Å; W364-V497 HydrophobicContact CE3-CB 3.73Å; W364-V497 HydrophobicContact CE3-CG1 4.14Å; W364-V497 HydrophobicContact CE3-CG2 3.9Å; W364-V497 HydrophobicContact CG-CB 3.82Å; W364-V497 HydrophobicContact CG-CG2 4.25Å; W364-V497 HydrophobicContact CH2-CG2 4.34Å; W364-V497 HydrophobicContact CZ2-CG2 4.21Å; W364-V497 HydrophobicContact CZ3-CB 4.43Å; W364-V497 HydrophobicContact CZ3-CG2 4.19Å; W364-V536 HydrophobicContact CZ2-CG1 4.33Å
365	T	96.3	Very high	96.4	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.018	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-80.9	-14.4	176.1	60.6	0	0	0	0	113.5	Q362 P363 A368 H454 H459	Q362-T365 HydrophobicContact CB-CG2 3.91Å; Q362-T365 PolarHBondContact O-N 2.81Å; Q362-T365 PolarHBondContact O-OG1 3.01Å; P363-T365 PolarHBondContact O-N 3.21Å; T365-A368 PolarHBondContact O-N 3.27Å; T365-A368 VanDerWaalsContact O-N 3.16Å; T365-H454 PolarHBondContact OG1-CE1 3.47Å; T365-H454 PolarHBondContact OG1-NE2 3.3Å; T365-H454 VanDerWaalsContact OG1-NE2 3.08Å; T365-H459 HydrophobicContact CG2-CB 3.74Å
366	I	96.3	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-58.5	-43.3	-176.7	-66.3	-74.2	0	0	0	113.5	I332 F336 T360 P363 A368 N369 H428 P429 T430 H454 V505 L509	I332-I366 HydrophobicContact CD1-CG1 4.14Å; F336-I366 HydrophobicContact CE2-CD1 4.26Å; F336-I366 HydrophobicContact CZ-CD1 4.34Å; F336-I366 HydrophobicContact CZ-CG2 4.42Å; T360-I366 HydrophobicContact CG2-CD1 4.13Å; T360-I366 HydrophobicContact CG2-CG1 4.31Å; P363-I366 WeakPolarHBondContact O-CB 3.41Å; P363-I366 VanDerWaalsContact O-CG1 3.28Å; P363-I366 WeakPolarHBondContact O-CG1 3.5Å; P363-I366 PolarHBondContact O-N 2.98Å; I366-A368 PolarHBondContact O-N 2.88Å; I366-N369 WeakPolarHBondContact O-CB 3.29Å; I366-N369 PolarHBondContact O-N 3.46Å; I366-H428 PolarHBondContact O-CE1 3.01Å; I366-H428 PolarHBondContact O-NE2 3.5Å; I366-P429 HydrophobicContact CG2-CG 4.32Å; I366-T430 HydrophobicContact CG2-CG2 4.36Å; I366-H454 HydrophobicContact CD1-CB 4.41Å; I366-V505 HydrophobicContact CB-CG1 4.16Å; I366-L509 HydrophobicContact CG2-CD2 4.43Å
367	P	95.2	Very high	96.1	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-57.3	-32	176.4	-26.1	36.6	0	0	0	114.3	W364 N369 I431 K434 M477 L492 V505	W364-P367 WeakPolarHBondContact O-CD 3.33Å; P367-N369 VanDerWaalsContact C-N 3.28Å; P367-N369 PolarHBondContact O-N 3.12Å; P367-I431 HydrophobicContact CB-CD1 4.47Å; P367-K434 PolarHBondContact O-NZ 3.36Å; P367-M477 HydrophobicContact CB-SD 3.88Å; P367-L492 HydrophobicContact CB-CD1 4.25Å; P367-L492 HydrophobicContact CG-CD1 3.71Å; P367-V505 HydrophobicContact CG-CG1 4.36Å; P367-V505 HydrophobicContact CG-CG2 3.68Å
368	A	94.9	Very high	96	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.025	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-86	7.2	179.6	0	0	0	0	0	113.5	T365 I366 A456 M477	T365-A368 PolarHBondContact O-N 3.27Å; T365-A368 VanDerWaalsContact O-N 3.16Å; I366-A368 PolarHBondContact O-N 2.88Å; A368-A456 HydrophobicContact CB-CB 4.32Å; A368-M477 HydrophobicContact CB-SD 4.13Å
369	N	96.3	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.			trans	-63.7	140.2	178.8	178.4	-86.8	0	0	0	111.9	F336 I366 P367 A371 K434 H454 T455	F336-N369 HydrophobicContact CE1-CB 4.46Å; F336-N369 WeakPolarHBondContact CE1-OD1 3.37Å; F336-N369 HydrophobicContact CZ-CB 4.43Å; I366-N369 WeakPolarHBondContact O-CB 3.29Å; I366-N369 PolarHBondContact O-N 3.46Å; P367-N369 VanDerWaalsContact C-N 3.28Å; P367-N369 PolarHBondContact O-N 3.12Å; N369-A371 PolarHBondContact ND2-O 3.42Å; N369-A371 PolarHBondContact OD1-N 3.37Å; N369-A371 PolarHBondContact OD1-O 2.64Å; N369-K434 WeakPolarHBondContact O-CE 3.42Å; N369-K434 PolarHBondContact O-NZ 3.12Å; N369-H454 WeakPolarHBondContact ND2-CB 3.18Å; N369-H454 PolarHBondContact ND2-ND1 3.23Å; N369-H454 VanDerWaalsContact ND2-ND1 3.18Å; N369-T455 CarbonylContact C-O 3.51Å; N369-T455 WeakPolarHBondContact CA-O 3.29Å; N369-T455 PolarHBondContact ND2-N 2.71Å; N369-T455 PolarHBondContact ND2-O 3Å
370	Q	96.4	Very high	96	Very high	19 Å²	19	21.7 Å²	21.7	9%	0.089	12%	0.115	C	C	.	.			trans	-130.6	-9	179.3	-56.4	-64.9	-16.3	0	0	113.6	P437 T455 P457 L472 E475	Q370-P437 WeakPolarHBondContact O-CD 3.22Å; Q370-T455 PolarHBondContact N-O 2.78Å; Q370-P457 HydrophobicContact CB-CG 4.1Å; Q370-P457 HydrophobicContact CG-CG 4.03Å; Q370-L472 HydrophobicContact CB-CB 4.35Å; Q370-L472 HydrophobicContact CB-CD1 4.27Å; Q370-E475 PolarHBondContact NE2-OE2 3.32Å
371	A	97.3	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	169.1	176.6	0	0	0	0	0	111	N369 P437 L439 T455 L472	N369-A371 PolarHBondContact ND2-O 3.42Å; N369-A371 PolarHBondContact OD1-N 3.37Å; N369-A371 PolarHBondContact OD1-O 2.64Å; A371-P437 WeakPolarHBondContact CA-O 3.3Å; A371-P437 HydrophobicContact CB-CG 4.33Å; A371-L439 HydrophobicContact CB-CD1 3.64Å; A371-L439 HydrophobicContact CB-CG 4.11Å; A371-T455 WeakPolarHBondContact O-CB 3.33Å; A371-T455 PolarHBondContact O-N 3.08Å; A371-L472 HydrophobicContact CB-CD1 3.79Å
372	V	97.6	Very high	96	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.8	161	-176.5	0	0	0	0	109.6	F336 V356 V358 P437 L438 L439 L452 V453	F336-V372 HydrophobicContact CD1-CG2 4.07Å; F336-V372 HydrophobicContact CE1-CG2 4.41Å; F336-V372 HydrophobicContact CG-CG2 4.3Å; V356-V372 HydrophobicContact CG1-CB 4.41Å; V356-V372 HydrophobicContact CG1-CG1 3.84Å; V356-V372 HydrophobicContact CG1-CG2 4.43Å; V358-V372 HydrophobicContact CG1-CG1 3.62Å; V358-V372 HydrophobicContact CG1-CG2 4.02Å; V372-P437 PolarHBondContact N-O 3.27Å; V372-L438 HydrophobicContact CB-CD2 3.85Å; V372-L438 HydrophobicContact CG1-CD2 4.43Å; V372-L438 WeakPolarHBondContact O-CA 3.4Å; V372-L439 PolarHBondContact O-N 3.5Å; V372-L452 HydrophobicContact CG1-CB 4.07Å; V372-V453 CarbonylContact C-O 3.59Å; V372-V453 WeakPolarHBondContact CA-O 3.28Å
373	C	97.3	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.1	-176.1	-76.2	0	0	0	0	113.3	L439 A441 V444 L452 V453 T455	C373-L439 CarbonylContact C-O 3.56Å; C373-L439 VanDerWaalsContact CA-O 3.28Å; C373-L439 WeakPolarHBondContact CA-O 3.46Å; C373-A441 HydrophobicContact CB-CB 3.88Å; C373-V444 HydrophobicContact CB-CG2 3.65Å; C373-L452 WeakPolarHBondContact O-CA 3.28Å; C373-V453 HydrophobicContact CB-CB 4.44Å; C373-V453 PolarHBondContact N-O 2.95Å; C373-V453 PolarHBondContact O-N 3.02Å; C373-T455 PolarHBondContact SG-OG1 3.04Å
374	Y	95.9	Very high	96	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	157.7	174.6	65.2	-97.9	0	0	0	111.6	Y380 G418 L421 E422 L438 L439 P440 A441	Y374-Y380 WeakPolarHBondContact CA-OH 3.46Å; Y374-G418 WeakPolarHBondContact CD2-O 3.37Å; Y374-G418 WeakPolarHBondContact CE2-O 3.43Å; Y374-L421 HydrophobicContact CD1-CB 4.05Å; Y374-L421 HydrophobicContact CD1-CD1 4.4Å; Y374-L421 HydrophobicContact CD2-CB 4.42Å; Y374-L421 HydrophobicContact CD2-CD1 4.45Å; Y374-L421 HydrophobicContact CE1-CB 3.94Å; Y374-L421 HydrophobicContact CE2-CB 4.36Å; Y374-L421 HydrophobicContact CG-CB 4.29Å; Y374-L421 HydrophobicContact CG-CD1 4.07Å; Y374-E422 WeakPolarHBondContact OH-CA 3.49Å; Y374-E422 PolarHBondContact OH-N 3.46Å; Y374-L438 HydrophobicContact CD1-CB 4Å; Y374-L438 HydrophobicContact CE1-CB 3.85Å; Y374-L439 VanDerWaalsContact CD1-O 3.22Å; Y374-L439 WeakPolarHBondContact CD1-O 3.44Å; Y374-L439 WeakPolarHBondContact CE1-O 3.25Å; Y374-L439 PolarHBondContact N-O 2.89Å; Y374-P440 HydrophobicContact CE2-CB 3.83Å; Y374-P440 WeakPolarHBondContact O-CA 3.25Å; Y374-A441 PolarHBondContact O-N 3.18Å
375	M	95.8	Very high	95.9	Very high	57 Å²	57	23.2 Å²	23.2	28%	0.281	12%	0.117	S	C	.	.			trans	-90.7	119.7	174.9	176.9	165.2	-81.4	0	0	110.7	N377 A378 Y380 V444 M446	M375-N377 PolarHBondContact O-N 3.18Å; M375-A378 HydrophobicContact CB-CB 3.99Å; M375-A378 HydrophobicContact CG-CB 4.08Å; M375-A378 PolarHBondContact O-N 2.95Å; M375-A378 HydrophobicContact SD-CB 4.42Å; M375-Y380 PolarHBondContact N-OH 3.35Å; M375-V444 HydrophobicContact CB-CB 4.38Å; M375-V444 WeakPolarHBondContact CE-O 3.26Å; M375-M446 HydrophobicContact CB-CE 3.68Å; M375-M446 HydrophobicContact SD-CE 4.47Å
376	P	94	Very high	95.8	Very high	39 Å²	39	26.4 Å²	26.4	25%	0.253	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.6	-172.6	-30.4	37.3	0	0	0	116.5	G418 S419 P440	P376-G418 CarbonylContact O-C 3.57Å; P376-S419 PolarHBondContact O-N 2.89Å; P376-P440 HydrophobicContact CG-CB 3.53Å
377	N	94.6	Very high	95.5	Very high	144 Å²	144	30.3 Å²	30.3	77%	0.77	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	4.2	-172.6	-61	-12.9	0	0	0	113.2	M375	M375-N377 PolarHBondContact O-N 3.18Å
378	A	95.4	Very high	95.3	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	19%	0.185	C	C	.	.	S	Bend	trans	-90.2	159.4	176.8	0	0	0	0	0	111.5	M375 Y380 T417 G418 M446	M375-A378 HydrophobicContact CB-CB 3.99Å; M375-A378 HydrophobicContact CG-CB 4.08Å; M375-A378 PolarHBondContact O-N 2.95Å; M375-A378 HydrophobicContact SD-CB 4.42Å; A378-Y380 HydrophobicContact CB-CE2 3.91Å; A378-T417 CarbonylContact O-C 3.5Å; A378-G418 PolarHBondContact O-N 2.78Å; A378-M446 HydrophobicContact CB-CE 4.21Å; A378-M446 HydrophobicContact CB-CG 3.98Å; A378-M446 HydrophobicContact CB-SD 3.47Å; A378-M446 WeakPolarHBondContact CB-SD 3.47Å
379	Q	97.1	Very high	95	Very high	92 Å²	92	36.3 Å²	36.3	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.4	173.8	-67.6	-60.8	101.3	0	0	111.1	A395 T396 T417	Q379-A395 WeakPolarHBondContact O-CA 3.16Å; Q379-T396 VanDerWaalsContact C-OG1 3.28Å; Q379-T396 PolarHBondContact O-N 3.4Å; Q379-T396 PolarHBondContact O-OG1 3.12Å; Q379-T417 PolarHBondContact OE1-OG1 3.01Å
380	Y	96.4	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.7	176.2	-68.9	-91.6	0	0	0	110.4	Y374 M375 A378 L394 A395 T396 T415 F416 L421 M446 G451 L452	Y374-Y380 WeakPolarHBondContact CA-OH 3.46Å; M375-Y380 PolarHBondContact N-OH 3.35Å; A378-Y380 HydrophobicContact CB-CE2 3.91Å; Y380-L394 WeakPolarHBondContact CA-O 3.34Å; Y380-A395 HydrophobicContact CD1-CB 4.02Å; Y380-A395 HydrophobicContact CE1-CB 3.82Å; Y380-T396 VanDerWaalsContact C-OG1 3.23Å; Y380-T396 WeakPolarHBondContact CA-OG1 3.44Å; Y380-T396 PolarHBondContact N-OG1 2.84Å; Y380-T396 PolarHBondContact O-OG1 3.43Å; Y380-T415 CarbonylContact O-C 3.28Å; Y380-T415 VanDerWaalsContact O-CA 3.29Å; Y380-T415 WeakPolarHBondContact O-CA 3.35Å; Y380-T415 WeakPolarHBondContact O-CG2 3.47Å; Y380-F416 PolarHBondContact N-O 3.07Å; Y380-F416 WeakPolarHBondContact O-CD2 3.4Å; Y380-F416 WeakPolarHBondContact O-CE2 3.44Å; Y380-F416 PolarHBondContact O-N 3.48Å; Y380-L421 HydrophobicContact CD1-CD1 4.14Å; Y380-L421 HydrophobicContact CD2-CD1 3.9Å; Y380-L421 HydrophobicContact CE2-CD1 4.28Å; Y380-L421 HydrophobicContact CG-CD1 3.82Å; Y380-M446 WeakPolarHBondContact OH-CE 3.32Å; Y380-G451 VanDerWaalsContact CE1-O 3.32Å; Y380-G451 WeakPolarHBondContact CE1-O 3.48Å; Y380-G451 PolarHBondContact OH-O 2.92Å; Y380-L452 HydrophobicContact CD1-CD1 4.42Å; Y380-L452 HydrophobicContact CD1-CD2 3.97Å; Y380-L452 HydrophobicContact CD1-CG 4.19Å; Y380-L452 HydrophobicContact CE1-CD1 4.42Å; Y380-L452 HydrophobicContact CE1-CD2 3.39Å; Y380-L452 HydrophobicContact CE1-CG 3.72Å
381	S	95.7	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.3	-179.8	-59.2	0	0	0	0	110.7	L393 L394 T396 A414 T415	S381-L393 WeakPolarHBondContact O-CA 3.48Å; S381-L394 PolarHBondContact N-O 3.09Å; S381-L394 PolarHBondContact O-N 3.26Å; S381-T396 WeakPolarHBondContact OG-CB 3.16Å; S381-T396 WeakPolarHBondContact OG-CG2 3.37Å; S381-T396 PolarHBondContact OG-OG1 3.29Å; S381-A414 VanDerWaalsContact CA-O 3.24Å; S381-A414 WeakPolarHBondContact CA-O 3.46Å; S381-A414 WeakPolarHBondContact CB-O 3.26Å; S381-T415 WeakPolarHBondContact CB-OG1 3.02Å; S381-T415 PolarHBondContact OG-OG1 3.08Å
382	V	96.2	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.9	153.4	178.8	0	0	0	0	107.5	L351 V354 L391 L392 V413 A414 F416	L351-V382 HydrophobicContact CD2-CB 3.95Å; L351-V382 HydrophobicContact CD2-CG1 4.06Å; L351-V382 HydrophobicContact CD2-CG2 3.81Å; V354-V382 HydrophobicContact CG1-CG1 4.39Å; V354-V382 HydrophobicContact CG1-CG2 3.93Å; V354-V382 HydrophobicContact CG2-CG1 3.94Å; V354-V382 HydrophobicContact CG2-CG2 4.1Å; V382-L391 HydrophobicContact CG1-CB 3.95Å; V382-L391 HydrophobicContact CG1-CD1 4.3Å; V382-L391 HydrophobicContact CG1-CD2 4.24Å; V382-L391 HydrophobicContact CG1-CG 4.4Å; V382-L392 CarbonylContact C-O 3.46Å; V382-L392 WeakPolarHBondContact CA-O 3.45Å; V382-V413 HydrophobicContact CB-CB 4.46Å; V382-V413 HydrophobicContact CG1-CB 4.32Å; V382-V413 PolarHBondContact O-N 3.29Å; V382-A414 PolarHBondContact N-O 2.94Å; V382-A414 PolarHBondContact O-N 3.48Å; V382-F416 HydrophobicContact CG2-CE1 4.08Å; V382-F416 HydrophobicContact CG2-CZ 3.71Å
383	V	95.9	Very high	94.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143	173.8	-52.5	0	0	0	0	110.2	L391 L392 L394 T399 L410 Q411	V383-L391 WeakPolarHBondContact O-CA 3.42Å; V383-L392 HydrophobicContact CG2-CB 4.18Å; V383-L392 PolarHBondContact N-O 3.04Å; V383-L392 PolarHBondContact O-N 3.14Å; V383-L394 HydrophobicContact CB-CD2 4.34Å; V383-L394 HydrophobicContact CG1-CD2 3.85Å; V383-L394 HydrophobicContact CG2-CD2 3.57Å; V383-T399 HydrophobicContact CG1-CG2 3.83Å; V383-L410 HydrophobicContact CB-CB 4.14Å; V383-L410 HydrophobicContact CG2-CB 4.02Å; V383-L410 HydrophobicContact CG2-CD1 4.21Å; V383-L410 HydrophobicContact CG2-CD2 4.21Å; V383-L410 HydrophobicContact CG2-CG 4.38Å; V383-Q411 CarbonylContact C-O 3.44Å; V383-Q411 VanDerWaalsContact CA-O 3.29Å; V383-Q411 WeakPolarHBondContact CA-O 3.18Å
384	K	95.9	Very high	94.7	Very high	77 Å²	77	38.8 Å²	38.8	34%	0.335	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.8	173.6	-173.7	172	-176.7	-179.8	0	109.7	S389 L391 Q411 V413	K384-S389 VanDerWaalsContact CE-CA 3.49Å; K384-S389 WeakPolarHBondContact CE-OG 3.14Å; K384-S389 PolarHBondContact NZ-OG 3.45Å; K384-L391 HydrophobicContact CB-CD2 3.57Å; K384-L391 HydrophobicContact CD-CD2 4.22Å; K384-L391 HydrophobicContact CG-CD2 3.81Å; K384-Q411 PolarHBondContact N-O 3.46Å; K384-Q411 PolarHBondContact O-N 2.99Å; K384-V413 HydrophobicContact CB-CG2 3.88Å
385	R	94.2	Very high	94.7	Very high	38 Å²	38	38.6 Å²	38.6	14%	0.143	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.9	170.6	-73.2	177.3	62.1	170.4	9.3	111.1	D387 S388 S389 Q390 L392 T408 L410	R385-D387 WeakPolarHBondContact CB-OD1 3.48Å; R385-D387 IonicContact CZ-OD1 3.21Å; R385-D387 IonicContact CZ-OD2 2.68Å; R385-D387 IonicContact NE-OD1 3.69Å; R385-D387 PolarHBondContact NE-OD1 2.73Å; R385-D387 IonicContact NE-OD2 2.64Å; R385-D387 PolarHBondContact NE-OD2 3.3Å; R385-D387 IonicContact NH2-OD1 3.63Å; R385-D387 PolarHBondContact NH2-OD1 3.03Å; R385-D387 IonicContact NH2-OD2 3.31Å; R385-D387 PolarHBondContact NH2-OD2 3.26Å; R385-S388 WeakPolarHBondContact CB-OG 3.4Å; R385-S388 PolarHBondContact NE-OG 3.42Å; R385-S389 VanDerWaalsContact O-CA 3.24Å; R385-S389 WeakPolarHBondContact O-CA 3.41Å; R385-S389 PolarHBondContact O-N 2.89Å; R385-Q390 PolarHBondContact N-O 3.06Å; R385-L392 HydrophobicContact CG-CD1 4.09Å; R385-T408 HydrophobicContact CG-CG2 4.46Å; R385-L410 HydrophobicContact CB-CD2 4.3Å; R385-L410 HydrophobicContact CG-CD2 3.5Å
386	A	92.6	Very high	94.7	Very high	69 Å²	69	38.1 Å²	38.1	57%	0.57	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-36.1	176.4	0	0	0	0	0	113.2	E409	A386-E409 HydrophobicContact CB-CB 3.99Å; A386-E409 PolarHBondContact N-O 3.38Å
387	D	91.4	Very high	94.8	Very high	83 Å²	83	42.4 Å²	42.4	44%	0.444	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.4	-176.7	56.6	20.7	0	0	0	115.4	R385 T408	R385-D387 WeakPolarHBondContact CB-OD1 3.48Å; R385-D387 IonicContact CZ-OD1 3.21Å; R385-D387 IonicContact CZ-OD2 2.68Å; R385-D387 IonicContact NE-OD1 3.69Å; R385-D387 PolarHBondContact NE-OD1 2.73Å; R385-D387 IonicContact NE-OD2 2.64Å; R385-D387 PolarHBondContact NE-OD2 3.3Å; R385-D387 IonicContact NH2-OD1 3.63Å; R385-D387 PolarHBondContact NH2-OD1 3.03Å; R385-D387 IonicContact NH2-OD2 3.31Å; R385-D387 PolarHBondContact NH2-OD2 3.26Å; D387-T408 WeakPolarHBondContact CB-OG1 3.08Å; D387-T408 VanDerWaalsContact OD2-CB 3.3Å; D387-T408 WeakPolarHBondContact OD2-CB 3.47Å; D387-T408 WeakPolarHBondContact OD2-CG2 3.5Å; D387-T408 PolarHBondContact OD2-OG1 2.86Å
388	S	89.6	Confident	94.8	Very high	62 Å²	62	37.6 Å²	37.6	43%	0.434	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	-6.6	-164.2	53.4	0	0	0	0	113.6	R385 Q390	R385-S388 WeakPolarHBondContact CB-OG 3.4Å; R385-S388 PolarHBondContact NE-OG 3.42Å; S388-Q390 PolarHBondContact O-N 2.94Å
389	S	89.9	Confident	94.8	Very high	68 Å²	68	37.8 Å²	37.8	48%	0.476	21%	0.206	S	C	.	.			trans	57.3	6.6	-170.3	-74.1	0	0	0	0	115.9	K384 R385 L391	K384-S389 VanDerWaalsContact CE-CA 3.49Å; K384-S389 WeakPolarHBondContact CE-OG 3.14Å; K384-S389 PolarHBondContact NZ-OG 3.45Å; R385-S389 VanDerWaalsContact O-CA 3.24Å; R385-S389 WeakPolarHBondContact O-CA 3.41Å; R385-S389 PolarHBondContact O-N 2.89Å; S389-L391 PolarHBondContact O-N 3.16Å
390	Q	93.5	Very high	94.6	Very high	49 Å²	49	37.2 Å²	37.2	23%	0.229	22%	0.217	C	C	.	.			trans	-61.4	132.2	177.6	-178.9	-177.9	51.6	0	0	110.8	R385 S388 L392	R385-Q390 PolarHBondContact N-O 3.06Å; S388-Q390 PolarHBondContact O-N 2.94Å; Q390-L392 HydrophobicContact CG-CD2 3.88Å; Q390-L392 HydrophobicContact CG-CG 4.18Å
391	L	95.4	Very high	94.5	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.11	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.2	174.4	-63.7	-170.4	0	0	0	110.9	G350 E352 V354 S355 V382 V383 K384 S389 V413	G350-L391 WeakPolarHBondContact O-CD1 3.07Å; E352-L391 WeakPolarHBondContact O-CD1 3.25Å; V354-L391 HydrophobicContact CB-CB 4.45Å; V354-L391 HydrophobicContact CG2-CB 3.93Å; V354-L391 HydrophobicContact CG2-CD1 3.78Å; S355-L391 PolarHBondContact N-O 2.71Å; V382-L391 HydrophobicContact CG1-CB 3.95Å; V382-L391 HydrophobicContact CG1-CD1 4.3Å; V382-L391 HydrophobicContact CG1-CD2 4.24Å; V382-L391 HydrophobicContact CG1-CG 4.4Å; V383-L391 WeakPolarHBondContact O-CA 3.42Å; K384-L391 HydrophobicContact CB-CD2 3.57Å; K384-L391 HydrophobicContact CD-CD2 4.22Å; K384-L391 HydrophobicContact CG-CD2 3.81Å; S389-L391 PolarHBondContact O-N 3.16Å; L391-V413 HydrophobicContact CD2-CG2 4.03Å
392	L	96.6	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.6	-178.2	-63.2	-179.9	0	0	0	110.9	T335 S355 L357 V382 V383 R385 Q390	T335-L392 HydrophobicContact CG2-CD2 3.46Å; T335-L392 VanDerWaalsContact CG2-CD2 3.46Å; S355-L392 CarbonylContact O-C 3.4Å; S355-L392 WeakPolarHBondContact O-CA 3.4Å; L357-L392 HydrophobicContact CD1-CD1 4.37Å; L357-L392 HydrophobicContact CD1-CD2 4.17Å; L357-L392 HydrophobicContact CD2-CD1 4.3Å; V382-L392 CarbonylContact C-O 3.46Å; V382-L392 WeakPolarHBondContact CA-O 3.45Å; V383-L392 HydrophobicContact CG2-CB 4.18Å; V383-L392 PolarHBondContact N-O 3.04Å; V383-L392 PolarHBondContact O-N 3.14Å; R385-L392 HydrophobicContact CG-CD1 4.09Å; Q390-L392 HydrophobicContact CG-CD2 3.88Å; Q390-L392 HydrophobicContact CG-CG 4.18Å
393	L	96.3	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.9	171.1	168.3	53.2	0	0	0	109.3	L338 V354 S355 V356 L357 S381 F416 L421 L452	L338-L393 HydrophobicContact CD1-CD2 4.38Å; V354-L393 HydrophobicContact CG1-CB 3.87Å; S355-L393 PolarHBondContact O-N 3.03Å; V356-L393 HydrophobicContact CG2-CB 4.3Å; V356-L393 HydrophobicContact CG2-CD2 3.75Å; V356-L393 HydrophobicContact CG2-CG 4.17Å; L357-L393 PolarHBondContact N-O 2.84Å; S381-L393 WeakPolarHBondContact O-CA 3.48Å; L393-F416 HydrophobicContact CD1-CE2 3.6Å; L393-F416 HydrophobicContact CD1-CZ 3.89Å; L393-L421 HydrophobicContact CD1-CD2 4.36Å; L393-L421 HydrophobicContact CD2-CD2 3.97Å; L393-L452 HydrophobicContact CG-CD1 3.96Å; L393-L452 WeakPolarHBondContact O-CD1 3.39Å
394	L	96.4	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	169.5	178.5	73.7	172.9	0	0	0	111.4	Y380 S381 V383 R398 L402	Y380-L394 WeakPolarHBondContact CA-O 3.34Å; S381-L394 PolarHBondContact N-O 3.09Å; S381-L394 PolarHBondContact O-N 3.26Å; V383-L394 HydrophobicContact CB-CD2 4.34Å; V383-L394 HydrophobicContact CG1-CD2 3.85Å; V383-L394 HydrophobicContact CG2-CD2 3.57Å; L394-R398 HydrophobicContact CD1-CB 4.03Å; L394-L402 HydrophobicContact CD1-CB 4.25Å; L394-L402 HydrophobicContact CD1-CD2 3.58Å
395	A	96.6	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.2	173.4	0	0	0	0	0	111.4	Q379 Y380 E397 R398 M446 T450	Q379-A395 WeakPolarHBondContact O-CA 3.16Å; Y380-A395 HydrophobicContact CD1-CB 4.02Å; Y380-A395 HydrophobicContact CE1-CB 3.82Å; A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 2.98Å; A395-E397 VanDerWaalsContact O-N 3.17Å; A395-R398 HydrophobicContact CB-CG 4.13Å; A395-R398 WeakPolarHBondContact O-CB 3.38Å; A395-R398 PolarHBondContact O-N 2.68Å; A395-M446 HydrophobicContact CB-SD 3.63Å; A395-T450 WeakPolarHBondContact CB-O 3.49Å; A395-T450 PolarHBondContact N-O 3.25Å
396	T	95.8	Very high	94.2	Very high	47 Å²	47	44.2 Å²	44.2	29%	0.288	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58	-36.3	-168.6	-55.3	0	0	0	0	113.5	Q379 Y380 S381 R398 T399	Q379-T396 VanDerWaalsContact C-OG1 3.28Å; Q379-T396 PolarHBondContact O-N 3.4Å; Q379-T396 PolarHBondContact O-OG1 3.12Å; Y380-T396 VanDerWaalsContact C-OG1 3.23Å; Y380-T396 WeakPolarHBondContact CA-OG1 3.44Å; Y380-T396 PolarHBondContact N-OG1 2.84Å; Y380-T396 PolarHBondContact O-OG1 3.43Å; S381-T396 WeakPolarHBondContact OG-CB 3.16Å; S381-T396 WeakPolarHBondContact OG-CG2 3.37Å; S381-T396 PolarHBondContact OG-OG1 3.29Å; T396-R398 PolarHBondContact O-N 3.03Å; T396-T399 PolarHBondContact O-N 3.34Å; T396-T399 PolarHBondContact O-OG1 3.01Å
397	E	95.3	Very high	94.3	Very high	128 Å²	128	44.3 Å²	44.3	60%	0.598	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.4	177.9	64.7	177.9	-114.4	0	0	113.7	A395 M446	A395-E397 VanDerWaalsContact C-N 3.29Å; A395-E397 PolarHBondContact O-N 2.98Å; A395-E397 VanDerWaalsContact O-N 3.17Å; E397-M446 HydrophobicContact CG-CB 4.1Å; E397-M446 VanDerWaalsContact OE1-CB 3.23Å; E397-M446 WeakPolarHBondContact OE1-CB 3.38Å
398	R	95.1	Very high	94.4	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.162	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-78.8	-23.6	178	-58.2	-54	-53.3	178	-2.7	113	L394 A395 T396 A400 S401 L402 M446 G447 G449	L394-R398 HydrophobicContact CD1-CB 4.03Å; A395-R398 HydrophobicContact CB-CG 4.13Å; A395-R398 WeakPolarHBondContact O-CB 3.38Å; A395-R398 PolarHBondContact O-N 2.68Å; T396-R398 PolarHBondContact O-N 3.03Å; R398-A400 VanDerWaalsContact C-N 3.35Å; R398-A400 PolarHBondContact O-N 3.08Å; R398-S401 PolarHBondContact NE-OG 3.46Å; R398-S401 PolarHBondContact NH2-OG 2.74Å; R398-S401 WeakPolarHBondContact O-CA 3.42Å; R398-S401 PolarHBondContact O-N 2.96Å; R398-S401 PolarHBondContact O-OG 3.06Å; R398-L402 PolarHBondContact O-N 3.05Å; R398-M446 WeakPolarHBondContact CD-O 3.12Å; R398-G447 PolarHBondContact NH1-O 3.5Å; R398-G449 PolarHBondContact NE-O 2.78Å; R398-G449 PolarHBondContact NH2-O 2.77Å
399	T	94.9	Very high	94.6	Very high	17 Å²	17	45.9 Å²	45.9	10%	0.104	29%	0.286	C	S	.	.	H	α-helix	trans	-50.6	-49.1	-172.3	-59.1	0	0	0	0	113	V383 T396 S401 L402 A403 L410	V383-T399 HydrophobicContact CG1-CG2 3.83Å; T396-T399 PolarHBondContact O-N 3.34Å; T396-T399 PolarHBondContact O-OG1 3.01Å; T399-S401 PolarHBondContact O-N 2.87Å; T399-L402 PolarHBondContact O-N 2.71Å; T399-A403 WeakPolarHBondContact O-CB 3.29Å; T399-A403 PolarHBondContact O-N 3.45Å; T399-L410 HydrophobicContact CG2-CB 3.85Å; T399-L410 HydrophobicContact CG2-CD1 4.3Å
400	A	94.1	Very high	94.9	Very high	80 Å²	80	43.5 Å²	43.5	66%	0.661	27%	0.268	S	S	*	.	H	α-helix	trans	-64.2	-38.3	178.9	0	0	0	0	0	112.8	R398 A404	R398-A400 VanDerWaalsContact C-N 3.35Å; R398-A400 PolarHBondContact O-N 3.08Å; A400-A404 PolarHBondContact O-N 3.47Å
401	S	93.4	Very high	95	Very high	48 Å²	48	47.8 Å²	47.8	34%	0.336	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-38.1	177.2	70.8	0	0	0	0	112.6	R398 T399 L405	R398-S401 PolarHBondContact NE-OG 3.46Å; R398-S401 PolarHBondContact NH2-OG 2.74Å; R398-S401 WeakPolarHBondContact O-CA 3.42Å; R398-S401 PolarHBondContact O-N 2.96Å; R398-S401 PolarHBondContact O-OG 3.06Å; T399-S401 PolarHBondContact O-N 2.87Å; S401-L405 WeakPolarHBondContact O-CB 3.37Å; S401-L405 PolarHBondContact O-N 3.13Å
402	L	94.3	Very high	95	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-73.7	-38.1	178.4	-174.6	68.4	0	0	0	111.7	Y333 L357 L394 R398 T399 A404 L405 L406 L410	Y333-L402 HydrophobicContact CD1-CD1 4.03Å; Y333-L402 HydrophobicContact CE1-CD1 3.94Å; L357-L402 HydrophobicContact CD2-CD1 4.28Å; L357-L402 HydrophobicContact CD2-CD2 3.41Å; L357-L402 VanDerWaalsContact CD2-CD2 3.41Å; L394-L402 HydrophobicContact CD1-CB 4.25Å; L394-L402 HydrophobicContact CD1-CD2 3.58Å; R398-L402 PolarHBondContact O-N 3.05Å; T399-L402 PolarHBondContact O-N 2.71Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.04Å; L402-L405 PolarHBondContact O-N 2.85Å; L402-L406 HydrophobicContact CD1-CD1 3.93Å; L402-L406 HydrophobicContact CD1-CD2 4.36Å; L402-L406 HydrophobicContact CD1-CG 3.86Å; L402-L406 HydrophobicContact CD2-CD1 4.14Å; L402-L406 HydrophobicContact CG-CD1 3.73Å; L402-L406 HydrophobicContact CG-CG 4.03Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 2.92Å; L402-L410 HydrophobicContact CB-CD1 3.9Å; L402-L410 HydrophobicContact CD2-CD1 3.92Å; L402-L410 HydrophobicContact CG-CD1 3.95Å
403	A	95.2	Very high	94.8	Very high	22 Å²	22	53.2 Å²	53.2	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-45.8	174.8	0	0	0	0	0	111.4	T399 G407 T408 L410	T399-A403 WeakPolarHBondContact O-CB 3.29Å; T399-A403 PolarHBondContact O-N 3.45Å; A403-G407 PolarHBondContact O-N 3.1Å; A403-T408 CarbonylContact C-O 3Å; A403-T408 VanDerWaalsContact CA-O 3.3Å; A403-T408 WeakPolarHBondContact CA-O 3.35Å; A403-T408 WeakPolarHBondContact CB-O 3.38Å; A403-T408 PolarHBondContact O-N 2.81Å; A403-T408 VanDerWaalsContact O-N 3.12Å; A403-L410 HydrophobicContact CB-CB 4.26Å; A403-L410 HydrophobicContact CB-CD1 3.95Å; A403-L410 HydrophobicContact CB-CG 3.83Å
404	A	95.2	Very high	94.7	Very high	83 Å²	83	53.8 Å²	53.8	69%	0.686	33%	0.326	S	S	*	.	H	α-helix	trans	-64.8	-39.6	175.2	0	0	0	0	0	112.8	A400 L402 G407	A400-A404 PolarHBondContact O-N 3.47Å; L402-A404 VanDerWaalsContact C-N 3.32Å; L402-A404 PolarHBondContact O-N 3.04Å; A404-G407 PolarHBondContact O-N 2.82Å
405	L	93.2	Very high	94.6	Very high	71 Å²	71	57 Å²	57	37%	0.372	35%	0.346	S	S	.	.	H	α-helix	trans	-71	-38.1	-179.4	-175	64.1	0	0	0	113.1	Y333 S401 L402 G407 L517	Y333-L405 HydrophobicContact CD2-CD2 4.5Å; Y333-L405 HydrophobicContact CE2-CD2 3.55Å; Y333-L405 WeakPolarHBondContact OH-CD2 3.3Å; S401-L405 WeakPolarHBondContact O-CB 3.37Å; S401-L405 PolarHBondContact O-N 3.13Å; L402-L405 PolarHBondContact O-N 2.85Å; L405-G407 VanDerWaalsContact C-N 3.35Å; L405-L517 HydrophobicContact CD1-CD2 4.19Å; L405-L517 HydrophobicContact CD2-CD2 3.71Å; L405-L517 HydrophobicContact CG-CD2 3.57Å
406	L	93	Very high	94.5	Very high	32 Å²	32	57.3 Å²	57.3	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-82.6	-10.3	176.3	-63.9	-179.9	0	0	0	113.4	L402 T408 V516 L517	L402-L406 HydrophobicContact CD1-CD1 3.93Å; L402-L406 HydrophobicContact CD1-CD2 4.36Å; L402-L406 HydrophobicContact CD1-CG 3.86Å; L402-L406 HydrophobicContact CD2-CD1 4.14Å; L402-L406 HydrophobicContact CG-CD1 3.73Å; L402-L406 HydrophobicContact CG-CG 4.03Å; L402-L406 WeakPolarHBondContact O-CB 3.35Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 2.92Å; L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 HydrophobicContact CB-CG2 3.82Å; L406-T408 HydrophobicContact CD1-CG2 4.39Å; L406-T408 PolarHBondContact O-N 3.11Å; L406-V516 HydrophobicContact CD1-CG1 4.19Å; L406-V516 HydrophobicContact CD2-CG1 3.9Å; L406-L517 HydrophobicContact CD2-CB 3.96Å; L406-L517 HydrophobicContact CD2-CD2 4.15Å
407	G	94.6	Very high	94.4	Very high	72 Å²	72	57.2 Å²	57.2	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	26.9	-175.8	0	0	0	0	0	114.2	A403 A404 L405	A403-G407 PolarHBondContact O-N 3.1Å; A404-G407 PolarHBondContact O-N 2.82Å; L405-G407 VanDerWaalsContact C-N 3.35Å
408	T	94.8	Very high	94.4	Very high	20 Å²	20	51.1 Å²	51.1	12%	0.123	32%	0.318	C	S	.	.	S	Bend	trans	-141.1	148.8	-170.3	-155.3	0	0	0	0	111.4	R385 D387 A403 L406 L410	R385-T408 HydrophobicContact CG-CG2 4.46Å; D387-T408 WeakPolarHBondContact CB-OG1 3.08Å; D387-T408 VanDerWaalsContact OD2-CB 3.3Å; D387-T408 WeakPolarHBondContact OD2-CB 3.47Å; D387-T408 WeakPolarHBondContact OD2-CG2 3.5Å; D387-T408 PolarHBondContact OD2-OG1 2.86Å; A403-T408 CarbonylContact C-O 3Å; A403-T408 VanDerWaalsContact CA-O 3.3Å; A403-T408 WeakPolarHBondContact CA-O 3.35Å; A403-T408 WeakPolarHBondContact CB-O 3.38Å; A403-T408 PolarHBondContact O-N 2.81Å; A403-T408 VanDerWaalsContact O-N 3.12Å; L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 HydrophobicContact CB-CG2 3.82Å; L406-T408 HydrophobicContact CD1-CG2 4.39Å; L406-T408 PolarHBondContact O-N 3.11Å; T408-L410 HydrophobicContact CG2-CD2 4.1Å
409	E	94.4	Very high	94.4	Very high	157 Å²	157	51.5 Å²	51.5	73%	0.734	33%	0.327	S	S	*	.			trans	-74.4	138.5	176.8	-67.5	-169.9	167.4	0	0	111.6	A386	A386-E409 HydrophobicContact CB-CB 3.99Å; A386-E409 PolarHBondContact N-O 3.38Å
410	L	95.9	Very high	94.4	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	97.6	177.8	-61.6	-175.9	0	0	0	109.3	V383 R385 T399 L402 A403 T408 T412	V383-L410 HydrophobicContact CB-CB 4.14Å; V383-L410 HydrophobicContact CG2-CB 4.02Å; V383-L410 HydrophobicContact CG2-CD1 4.21Å; V383-L410 HydrophobicContact CG2-CD2 4.21Å; V383-L410 HydrophobicContact CG2-CG 4.38Å; R385-L410 HydrophobicContact CB-CD2 4.3Å; R385-L410 HydrophobicContact CG-CD2 3.5Å; T399-L410 HydrophobicContact CG2-CB 3.85Å; T399-L410 HydrophobicContact CG2-CD1 4.3Å; L402-L410 HydrophobicContact CB-CD1 3.9Å; L402-L410 HydrophobicContact CD2-CD1 3.92Å; L402-L410 HydrophobicContact CG-CD1 3.95Å; A403-L410 HydrophobicContact CB-CB 4.26Å; A403-L410 HydrophobicContact CB-CD1 3.95Å; A403-L410 HydrophobicContact CB-CG 3.83Å; T408-L410 HydrophobicContact CG2-CD2 4.1Å; L410-T412 PolarHBondContact O-N 3.29Å
411	Q	94.6	Very high	94.4	Very high	139 Å²	139	49.8 Å²	49.8	65%	0.65	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.5	179.1	-177.4	-176.3	8.4	0	0	110.1	V383 K384 V413	V383-Q411 CarbonylContact C-O 3.44Å; V383-Q411 VanDerWaalsContact CA-O 3.29Å; V383-Q411 WeakPolarHBondContact CA-O 3.18Å; K384-Q411 PolarHBondContact N-O 3.46Å; K384-Q411 PolarHBondContact O-N 2.99Å; Q411-V413 PolarHBondContact O-N 2.85Å
412	T	95.3	Very high	94.5	Very high	70 Å²	70	52.6 Å²	52.6	43%	0.429	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	126.8	172.4	-57.6	0	0	0	0	111.1	L410 T415	L410-T412 PolarHBondContact O-N 3.29Å; T412-T415 WeakPolarHBondContact CG2-OG1 3.36Å
413	V	93.7	Very high	94.4	Very high	64 Å²	64	54.3 Å²	54.3	39%	0.388	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-52.5	176.1	-179.5	0	0	0	0	110.1	L351 V382 K384 L391 Q411	L351-V413 HydrophobicContact CD2-CG1 4.06Å; V382-V413 HydrophobicContact CB-CB 4.46Å; V382-V413 HydrophobicContact CG1-CB 4.32Å; V382-V413 PolarHBondContact O-N 3.29Å; K384-V413 HydrophobicContact CB-CG2 3.88Å; L391-V413 HydrophobicContact CD2-CG2 4.03Å; Q411-V413 PolarHBondContact O-N 2.85Å
414	A	93.3	Very high	94.5	Very high	12 Å²	12	53.3 Å²	53.3	10%	0.099	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	159.9	179.8	0	0	0	0	0	110.4	L351 S381 V382 F416	L351-A414 HydrophobicContact CD2-CB 4.09Å; S381-A414 VanDerWaalsContact CA-O 3.24Å; S381-A414 WeakPolarHBondContact CA-O 3.46Å; S381-A414 WeakPolarHBondContact CB-O 3.26Å; V382-A414 PolarHBondContact N-O 2.94Å; V382-A414 PolarHBondContact O-N 3.48Å; A414-F416 HydrophobicContact CB-CD1 4.33Å; A414-F416 HydrophobicContact CB-CE1 3.91Å
415	T	94.3	Very high	94.5	Very high	67 Å²	67	51.9 Å²	51.9	41%	0.411	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.4	177.3	-67.5	0	0	0	0	110.7	Y380 S381 T412	Y380-T415 CarbonylContact O-C 3.28Å; Y380-T415 VanDerWaalsContact O-CA 3.29Å; Y380-T415 WeakPolarHBondContact O-CA 3.35Å; Y380-T415 WeakPolarHBondContact O-CG2 3.47Å; S381-T415 WeakPolarHBondContact CB-OG1 3.02Å; S381-T415 PolarHBondContact OG-OG1 3.08Å; T412-T415 WeakPolarHBondContact CG2-OG1 3.36Å
416	F	93.4	Very high	94.7	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	158.7	-167.5	29.9	-110.3	0	0	0	110.7	I345 Y380 V382 L393 A414 Q420 L421	I345-F416 HydrophobicContact CB-CD1 4.31Å; I345-F416 HydrophobicContact CD1-CD1 4.46Å; I345-F416 HydrophobicContact CD1-CE1 4.03Å; I345-F416 HydrophobicContact CD1-CZ 4.2Å; I345-F416 HydrophobicContact CG2-CB 4.22Å; I345-F416 HydrophobicContact CG2-CD1 3.71Å; I345-F416 HydrophobicContact CG2-CE1 4.3Å; I345-F416 HydrophobicContact CG2-CG 3.91Å; Y380-F416 PolarHBondContact N-O 3.07Å; Y380-F416 WeakPolarHBondContact O-CD2 3.4Å; Y380-F416 WeakPolarHBondContact O-CE2 3.44Å; Y380-F416 PolarHBondContact O-N 3.48Å; V382-F416 HydrophobicContact CG2-CE1 4.08Å; V382-F416 HydrophobicContact CG2-CZ 3.71Å; L393-F416 HydrophobicContact CD1-CE2 3.6Å; L393-F416 HydrophobicContact CD1-CZ 3.89Å; A414-F416 HydrophobicContact CB-CD1 4.33Å; A414-F416 HydrophobicContact CB-CE1 3.91Å; F416-Q420 HydrophobicContact CB-CB 4.2Å; F416-Q420 HydrophobicContact CB-CG 4.48Å; F416-L421 HydrophobicContact CD2-CD2 3.93Å; F416-L421 HydrophobicContact CE2-CD2 3.77Å
417	T	95.7	Very high	94.9	Very high	45 Å²	45	52.7 Å²	52.7	28%	0.276	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.9	176.3	-44.3	0	0	0	0	110	A378 Q379 S419 Q420	A378-T417 CarbonylContact O-C 3.5Å; Q379-T417 PolarHBondContact OE1-OG1 3.01Å; T417-S419 PolarHBondContact O-N 3.41Å; T417-S419 VanDerWaalsContact O-N 3.08Å; T417-Q420 VanDerWaalsContact O-CB 3.27Å; T417-Q420 WeakPolarHBondContact O-CB 3.05Å; T417-Q420 PolarHBondContact O-N 2.96Å
418	G	94.4	Very high	95	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-53.3	-33.4	-178.7	0	0	0	0	0	114.4	Y374 P376 A378 Q420 L421	Y374-G418 WeakPolarHBondContact CD2-O 3.37Å; Y374-G418 WeakPolarHBondContact CE2-O 3.43Å; P376-G418 CarbonylContact O-C 3.57Å; A378-G418 PolarHBondContact O-N 2.78Å; G418-Q420 PolarHBondContact O-N 3.19Å; G418-Q420 VanDerWaalsContact O-N 3.07Å; G418-L421 VanDerWaalsContact O-CB 3.31Å; G418-L421 WeakPolarHBondContact O-CB 3.46Å; G418-L421 PolarHBondContact O-N 2.62Å
419	S	94.9	Very high	95	Very high	51 Å²	51	49.7 Å²	49.7	36%	0.357	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.4	-9.6	173.1	60	0	0	0	0	115.1	K344 P376 T417	K344-S419 PolarHBondContact NZ-O 3.34Å; P376-S419 PolarHBondContact O-N 2.89Å; T417-S419 PolarHBondContact O-N 3.41Å; T417-S419 VanDerWaalsContact O-N 3.08Å
420	Q	94.7	Very high	94.9	Very high	62 Å²	62	42.9 Å²	42.9	29%	0.29	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-87.6	-13.7	169.5	-61.4	175.3	-104.6	0	0	113.5	P342 K344 I345 F416 T417 G418 E422	P342-Q420 WeakPolarHBondContact CB-O 3.32Å; K344-Q420 HydrophobicContact CB-CB 3.97Å; K344-Q420 HydrophobicContact CB-CG 4.25Å; K344-Q420 HydrophobicContact CD-CB 4.48Å; K344-Q420 PolarHBondContact O-NE2 2.98Å; I345-Q420 HydrophobicContact CG2-CB 3.93Å; F416-Q420 HydrophobicContact CB-CB 4.2Å; F416-Q420 HydrophobicContact CB-CG 4.48Å; T417-Q420 VanDerWaalsContact O-CB 3.27Å; T417-Q420 WeakPolarHBondContact O-CB 3.05Å; T417-Q420 PolarHBondContact O-N 2.96Å; G418-Q420 PolarHBondContact O-N 3.19Å; G418-Q420 VanDerWaalsContact O-N 3.07Å; Q420-E422 PolarHBondContact O-N 3.03Å
421	L	94.8	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-79.4	-6	176.7	-56.1	-178	0	0	0	113.6	P342 I345 Y374 Y380 L393 F416 G418 G423 G424 L438 L452	P342-L421 HydrophobicContact CG-CD2 4.43Å; P342-L421 WeakPolarHBondContact CG-O 3.18Å; I345-L421 HydrophobicContact CD1-CD2 4.42Å; Y374-L421 HydrophobicContact CD1-CB 4.05Å; Y374-L421 HydrophobicContact CD1-CD1 4.4Å; Y374-L421 HydrophobicContact CD2-CB 4.42Å; Y374-L421 HydrophobicContact CD2-CD1 4.45Å; Y374-L421 HydrophobicContact CE1-CB 3.94Å; Y374-L421 HydrophobicContact CE2-CB 4.36Å; Y374-L421 HydrophobicContact CG-CB 4.29Å; Y374-L421 HydrophobicContact CG-CD1 4.07Å; Y380-L421 HydrophobicContact CD1-CD1 4.14Å; Y380-L421 HydrophobicContact CD2-CD1 3.9Å; Y380-L421 HydrophobicContact CE2-CD1 4.28Å; Y380-L421 HydrophobicContact CG-CD1 3.82Å; L393-L421 HydrophobicContact CD1-CD2 4.36Å; L393-L421 HydrophobicContact CD2-CD2 3.97Å; F416-L421 HydrophobicContact CD2-CD2 3.93Å; F416-L421 HydrophobicContact CE2-CD2 3.77Å; G418-L421 VanDerWaalsContact O-CB 3.31Å; G418-L421 WeakPolarHBondContact O-CB 3.46Å; G418-L421 PolarHBondContact O-N 2.62Å; L421-G423 PolarHBondContact O-N 2.97Å; L421-G424 PolarHBondContact O-N 3.34Å; L421-L438 HydrophobicContact CB-CD1 4.22Å; L421-L452 HydrophobicContact CD1-CD2 4.46Å
422	E	94.8	Very high	94.5	Very high	106 Å²	106	43 Å²	43	50%	0.495	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	128.9	178	-176.7	176.7	-132.9	0	0	111.8	K344 Y374 Q420	K344-E422 IonicContact NZ-OE2 2.64Å; K344-E422 PolarHBondContact NZ-OE2 3.48Å; Y374-E422 WeakPolarHBondContact OH-CA 3.49Å; Y374-E422 PolarHBondContact OH-N 3.46Å; Q420-E422 PolarHBondContact O-N 3.03Å
423	G	93.4	Very high	94.2	Very high	42 Å²	42	47.4 Å²	47.4	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	1.4	-178.1	0	0	0	0	0	115.1	L421	L421-G423 PolarHBondContact O-N 2.97Å
424	G	95.4	Very high	94.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	26%	0.26	C	S	.	.			trans	-67.9	145	168.6	0	0	0	0	0	112.4	T340 L421 L438	T340-G424 WeakPolarHBondContact O-CA 3.02Å; L421-G424 PolarHBondContact O-N 3.34Å; G424-L438 PolarHBondContact O-N 2.99Å
425	I	96.6	Very high	94.4	Very high	53 Å²	53	51.1 Å²	51.1	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.5	177.7	-52.2	177.3	0	0	0	109.3	L338 A339 T340 Q435	L338-I425 CarbonylContact C-O 3.55Å; L338-I425 WeakPolarHBondContact CA-O 3.43Å; A339-I425 PolarHBondContact N-O 2.78Å; T340-I425 PolarHBondContact N-O 3.26Å; T340-I425 PolarHBondContact O-N 3.45Å; I425-Q435 HydrophobicContact CG2-CB 3.86Å
426	C	96.9	Very high	94.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	152.4	175.3	-72.6	0	0	0	0	112	F336 P337 Q435 V436	F336-C426 HydrophobicContact CB-CB 3.9Å; F336-C426 HydrophobicContact CD1-CB 4.3Å; F336-C426 PolarHBondContact O-SG 2.99Å; F336-C426 VanDerWaalsContact O-SG 3.36Å; P337-C426 CarbonylContact O-C 3.55Å; P337-C426 VanDerWaalsContact O-CA 3.32Å; P337-C426 WeakPolarHBondContact O-CA 3.42Å; C426-Q435 CarbonylContact O-C 3.6Å; C426-Q435 VanDerWaalsContact O-CA 3.25Å; C426-Q435 WeakPolarHBondContact O-CA 3.1Å; C426-V436 HydrophobicContact CB-CG2 3.87Å; C426-V436 PolarHBondContact N-O 2.84Å; C426-V436 PolarHBondContact O-N 2.77Å
427	K	97	Very high	94.7	Very high	119 Å²	119	49.7 Å²	49.7	52%	0.517	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.6	157.6	-58.2	-169.1	179.4	-176.8	0	109.3	P337 A339	P337-K427 PolarHBondContact O-N 3.07Å; A339-K427 HydrophobicContact CB-CG 3.85Å
428	H	96.4	Very high	94.8	Very high	11 Å²	11	47.8 Å²	47.8	5%	0.051	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.8	131.1	171.9	-161.1	-73.2	0	0	0	109.7	I366 T430 I431 K434	I366-H428 PolarHBondContact O-CE1 3.01Å; I366-H428 PolarHBondContact O-NE2 3.5Å; H428-T430 PolarHBondContact CE1-OG1 2.83Å; H428-T430 VanDerWaalsContact CE1-OG1 3.3Å; H428-T430 PolarHBondContact ND1-OG1 3.35Å; H428-I431 HydrophobicContact CB-CB 4.38Å; H428-I431 VanDerWaalsContact CE1-CG1 3.47Å; H428-I431 WeakPolarHBondContact CE1-CG1 3.4Å; H428-I431 WeakPolarHBondContact ND1-CG1 3.41Å; H428-I431 PolarHBondContact ND1-N 3.41Å; H428-K434 HydrophobicContact CB-CB 3.84Å; H428-K434 HydrophobicContact CB-CD 4.34Å; H428-K434 HydrophobicContact CB-CG 3.98Å; H428-K434 VanDerWaalsContact CB-O 3.3Å; H428-K434 WeakPolarHBondContact CB-O 3.35Å; H428-K434 PolarHBondContact N-O 2.86Å
429	P	94.8	Very high	94.9	Very high	19 Å²	19	48.7 Å²	48.7	12%	0.123	27%	0.266	C	S	.	.	S	Bend	trans	-72.4	-35.7	-171.7	25.7	-33.9	0	0	0	113.6	F336 I366 L509 S512 A514	F336-P429 HydrophobicContact CD2-CG 4.12Å; F336-P429 VanDerWaalsContact CE1-CD 3.43Å; F336-P429 HydrophobicContact CE1-CG 4.26Å; F336-P429 HydrophobicContact CE2-CG 3.75Å; F336-P429 HydrophobicContact CZ-CG 3.84Å; I366-P429 HydrophobicContact CG2-CG 4.32Å; P429-L509 HydrophobicContact CB-CD2 3.84Å; P429-L509 HydrophobicContact CG-CD2 3.77Å; P429-S512 WeakPolarHBondContact O-CB 3.34Å; P429-S512 PolarHBondContact O-OG 2.72Å; P429-A514 HydrophobicContact CB-CB 3.55Å
430	T	93.1	Very high	94.9	Very high	13 Å²	13	48 Å²	48	8%	0.08	26%	0.261	C	S	.	.	S	Bend	trans	-105	-4.3	-172.8	53.8	0	0	0	0	115.5	I366 H428 M508 L509	I366-T430 HydrophobicContact CG2-CG2 4.36Å; H428-T430 PolarHBondContact CE1-OG1 2.83Å; H428-T430 VanDerWaalsContact CE1-OG1 3.3Å; H428-T430 PolarHBondContact ND1-OG1 3.35Å; T430-M508 HydrophobicContact CG2-CB 3.89Å; T430-M508 WeakPolarHBondContact O-CE 3.48Å; T430-L509 HydrophobicContact CG2-CD2 3.61Å; T430-L509 HydrophobicContact CG2-CG 3.72Å
431	I	92.2	Very high	94.8	Very high	49 Å²	49	45.4 Å²	45.4	25%	0.251	25%	0.25	S	C	.	.	S	Bend	trans	-126.5	113.1	-176.1	-57.6	-66.5	0	0	0	107.7	P367 H428 K434	P367-I431 HydrophobicContact CB-CD1 4.47Å; H428-I431 HydrophobicContact CB-CB 4.38Å; H428-I431 VanDerWaalsContact CE1-CG1 3.47Å; H428-I431 WeakPolarHBondContact CE1-CG1 3.4Å; H428-I431 WeakPolarHBondContact ND1-CG1 3.41Å; H428-I431 PolarHBondContact ND1-N 3.41Å; I431-K434 HydrophobicContact CB-CB 4.09Å; I431-K434 HydrophobicContact CB-CD 4.14Å; I431-K434 HydrophobicContact CG2-CB 3.71Å; I431-K434 HydrophobicContact CG2-CD 3.89Å; I431-K434 HydrophobicContact CG2-CG 4.44Å
432	P	88.8	Confident	94.4	Very high	112 Å²	112	50.9 Å²	50.9	73%	0.727	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	142.4	-179.9	-27.9	35.9	0	0	0	113	K434	P432-K434 PolarHBondContact O-N 3.32Å
433	D	90.6	Very high	94	Very high	162 Å²	162	48 Å²	48	87%	0.866	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	-11.3	176.6	-55.9	-48.9	0	0	0	117.8	Q435	D433-Q435 PolarHBondContact O-N 3.42Å
434	K	94.4	Very high	93.9	Very high	40 Å²	40	46 Å²	46	17%	0.174	25%	0.254	C	S	.	.			trans	-63.5	129.6	173.7	-177.2	172.2	177.5	-178.5	0	110.2	P367 N369 H428 I431 P432	P367-K434 PolarHBondContact O-NZ 3.36Å; N369-K434 WeakPolarHBondContact O-CE 3.42Å; N369-K434 PolarHBondContact O-NZ 3.12Å; H428-K434 HydrophobicContact CB-CB 3.84Å; H428-K434 HydrophobicContact CB-CD 4.34Å; H428-K434 HydrophobicContact CB-CG 3.98Å; H428-K434 VanDerWaalsContact CB-O 3.3Å; H428-K434 WeakPolarHBondContact CB-O 3.35Å; H428-K434 PolarHBondContact N-O 2.86Å; I431-K434 HydrophobicContact CB-CB 4.09Å; I431-K434 HydrophobicContact CB-CD 4.14Å; I431-K434 HydrophobicContact CG2-CB 3.71Å; I431-K434 HydrophobicContact CG2-CD 3.89Å; I431-K434 HydrophobicContact CG2-CG 4.44Å; P432-K434 PolarHBondContact O-N 3.32Å
435	Q	96.1	Very high	93.5	Very high	114 Å²	114	50.2 Å²	50.2	53%	0.533	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.8	176.5	-66.8	-179.1	44	0	0	109.8	I425 C426 D433	I425-Q435 HydrophobicContact CG2-CB 3.86Å; C426-Q435 CarbonylContact O-C 3.6Å; C426-Q435 VanDerWaalsContact O-CA 3.25Å; C426-Q435 WeakPolarHBondContact O-CA 3.1Å; D433-Q435 PolarHBondContact O-N 3.42Å
436	V	96.4	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131	-176.6	-62.5	0	0	0	0	110.4	F336 C426	F336-V436 HydrophobicContact CD1-CG2 3.88Å; F336-V436 HydrophobicContact CE1-CG2 4.08Å; C426-V436 HydrophobicContact CB-CG2 3.87Å; C426-V436 PolarHBondContact N-O 2.84Å; C426-V436 PolarHBondContact O-N 2.77Å
437	P	97.4	Very high	92.4	Very high	44 Å²	44	51.2 Å²	51.2	29%	0.286	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	156.3	-177	31	-36.4	0	0	0	112.8	Q370 A371 V372 L439	Q370-P437 WeakPolarHBondContact O-CD 3.22Å; A371-P437 WeakPolarHBondContact CA-O 3.3Å; A371-P437 HydrophobicContact CB-CG 4.33Å; V372-P437 PolarHBondContact N-O 3.27Å; P437-L439 HydrophobicContact CB-CD2 4.29Å; P437-L439 HydrophobicContact CB-CG 4.4Å; P437-L439 HydrophobicContact CG-CD1 4.35Å; P437-L439 HydrophobicContact CG-CD2 4.26Å; P437-L439 HydrophobicContact CG-CG 4.12Å
438	L	97.3	Very high	91.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.2	160.3	-60.5	-168.8	0	0	0	109.8	L338 V356 V372 Y374 L421 G424	L338-L438 HydrophobicContact CD2-CD1 4.25Å; V356-L438 HydrophobicContact CG2-CD1 4.35Å; V356-L438 HydrophobicContact CG2-CD2 4.14Å; V372-L438 HydrophobicContact CB-CD2 3.85Å; V372-L438 HydrophobicContact CG1-CD2 4.43Å; V372-L438 WeakPolarHBondContact O-CA 3.4Å; Y374-L438 HydrophobicContact CD1-CB 4Å; Y374-L438 HydrophobicContact CE1-CB 3.85Å; L421-L438 HydrophobicContact CB-CD1 4.22Å; G424-L438 PolarHBondContact O-N 2.99Å
439	L	97.1	Very high	91.5	Very high	19 Å²	19	52.3 Å²	52.3	10%	0.099	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.9	-176.9	-66.1	-179.5	0	0	0	113.6	A371 V372 C373 Y374 P437 V466 F470 L472	A371-L439 HydrophobicContact CB-CD1 3.64Å; A371-L439 HydrophobicContact CB-CG 4.11Å; V372-L439 PolarHBondContact O-N 3.5Å; C373-L439 CarbonylContact C-O 3.56Å; C373-L439 VanDerWaalsContact CA-O 3.28Å; C373-L439 WeakPolarHBondContact CA-O 3.46Å; Y374-L439 VanDerWaalsContact CD1-O 3.22Å; Y374-L439 WeakPolarHBondContact CD1-O 3.44Å; Y374-L439 WeakPolarHBondContact CE1-O 3.25Å; Y374-L439 PolarHBondContact N-O 2.89Å; P437-L439 HydrophobicContact CB-CD2 4.29Å; P437-L439 HydrophobicContact CB-CG 4.4Å; P437-L439 HydrophobicContact CG-CD1 4.35Å; P437-L439 HydrophobicContact CG-CD2 4.26Å; P437-L439 HydrophobicContact CG-CG 4.12Å; L439-V466 HydrophobicContact CD1-CG1 4.04Å; L439-F470 HydrophobicContact CD1-CB 3.95Å; L439-F470 HydrophobicContact CD1-CD1 4.49Å; L439-F470 HydrophobicContact CD1-CD2 4.03Å; L439-F470 HydrophobicContact CD1-CG 3.9Å; L439-F470 HydrophobicContact CD2-CD1 3.88Å; L439-F470 HydrophobicContact CD2-CE1 4.19Å; L439-F470 HydrophobicContact CD2-CG 4.13Å; L439-L472 HydrophobicContact CD1-CD1 3.85Å; L439-L472 HydrophobicContact CD1-CD2 4.23Å; L439-L472 HydrophobicContact CD1-CG 4.37Å
440	P	95.8	Very high	91.5	Very high	38 Å²	38	51.6 Å²	51.6	25%	0.247	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	122.8	175	30.2	-31.5	0	0	0	111.4	Y374 P376 F470	Y374-P440 HydrophobicContact CE2-CB 3.83Å; Y374-P440 WeakPolarHBondContact O-CA 3.25Å; P376-P440 HydrophobicContact CG-CB 3.53Å; P440-F470 HydrophobicContact CG-CE1 4.49Å; P440-F470 HydrophobicContact CG-CZ 3.9Å
441	A	92.2	Very high	91.6	Very high	7 Å²	7	51 Å²	51	6%	0.058	30%	0.297	C	S	.	.			trans	-139.5	149.3	176.8	0	0	0	0	0	113.1	C373 Y374 V444 V466	C373-A441 HydrophobicContact CB-CB 3.88Å; Y374-A441 PolarHBondContact O-N 3.18Å; A441-V444 HydrophobicContact CB-CG2 4.13Å; A441-V466 HydrophobicContact CB-CG2 3.76Å
442	S	85.6	Confident	91.8	Very high	114 Å²	114	48.8 Å²	48.8	80%	0.797	29%	0.285	S	S	*	.	S	Bend	trans	-89	-18.2	-175.7	50.3	0	0	0	0	114.7	V444	S442-V444 PolarHBondContact O-N 2.83Å
443	H	86.5	Confident	92.1	Very high	46 Å²	46	45.6 Å²	45.6	21%	0.213	26%	0.264	C	S	.	.	S	Bend	trans	-73.1	-16.1	178.5	69.1	-110.6	0	0	0	113.1	T445 D462	H443-T445 PolarHBondContact O-N 3.4Å; H443-T445 VanDerWaalsContact O-N 3.16Å; H443-D462 HydrophobicContact CB-CB 4.03Å
444	V	90.4	Very high	92.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	23%	0.225	C	C	.	.			trans	-71.5	107.2	-171.8	-175.6	0	0	0	0	110.7	C373 M375 A441 S442 M446 G451 V453	C373-V444 HydrophobicContact CB-CG2 3.65Å; M375-V444 HydrophobicContact CB-CB 4.38Å; M375-V444 WeakPolarHBondContact CE-O 3.26Å; A441-V444 HydrophobicContact CB-CG2 4.13Å; S442-V444 PolarHBondContact O-N 2.83Å; V444-M446 HydrophobicContact CB-CE 4.4Å; V444-M446 HydrophobicContact CG1-CE 3.66Å; V444-M446 WeakPolarHBondContact O-CE 3.43Å; V444-G451 VanDerWaalsContact CG1-O 3.27Å; V444-G451 WeakPolarHBondContact CG1-O 3.35Å; V444-V453 HydrophobicContact CG1-CG2 4Å; V444-V453 HydrophobicContact CG2-CB 4.4Å; V444-V453 HydrophobicContact CG2-CG2 4.35Å
445	T	88.1	Confident	92.5	Very high	89 Å²	89	36.6 Å²	36.6	55%	0.546	22%	0.217	S	C	.	.			trans	-89.7	135.4	178.9	68.3	0	0	0	0	112.2	H443 G447	H443-T445 PolarHBondContact O-N 3.4Å; H443-T445 VanDerWaalsContact O-N 3.16Å; T445-G447 VanDerWaalsContact C-N 3.34Å
446	M	89.3	Confident	92.4	Very high	21 Å²	21	31.2 Å²	31.2	10%	0.103	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.9	175.3	-54.8	-59.2	99.6	0	0	113.2	M375 A378 Y380 A395 E397 R398 V444 K448	M375-M446 HydrophobicContact CB-CE 3.68Å; M375-M446 HydrophobicContact SD-CE 4.47Å; A378-M446 HydrophobicContact CB-CE 4.21Å; A378-M446 HydrophobicContact CB-CG 3.98Å; A378-M446 HydrophobicContact CB-SD 3.47Å; A378-M446 WeakPolarHBondContact CB-SD 3.47Å; Y380-M446 WeakPolarHBondContact OH-CE 3.32Å; A395-M446 HydrophobicContact CB-SD 3.63Å; E397-M446 HydrophobicContact CG-CB 4.1Å; E397-M446 VanDerWaalsContact OE1-CB 3.23Å; E397-M446 WeakPolarHBondContact OE1-CB 3.38Å; R398-M446 WeakPolarHBondContact CD-O 3.12Å; V444-M446 HydrophobicContact CB-CE 4.4Å; V444-M446 HydrophobicContact CG1-CE 3.66Å; V444-M446 WeakPolarHBondContact O-CE 3.43Å; M446-K448 VanDerWaalsContact C-N 3.27Å; M446-K448 PolarHBondContact O-N 2.84Å; M446-K448 VanDerWaalsContact O-N 3.15Å
447	G	82.1	Confident	92.3	Very high	52 Å²	52	31.2 Å²	31.2	54%	0.536	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.5	-175.1	0	0	0	0	0	116.7	R398 T445	R398-G447 PolarHBondContact NH1-O 3.5Å; T445-G447 VanDerWaalsContact C-N 3.34Å
448	K	83.3	Confident	92.1	Very high	145 Å²	145	29.2 Å²	29.2	63%	0.63	18%	0.179	S	C	*	.	S	Bend	trans	-139.6	158.2	-177.7	-71.7	-170.5	175.4	-173.2	0	112.4	M446 T450	M446-K448 VanDerWaalsContact C-N 3.27Å; M446-K448 PolarHBondContact O-N 2.84Å; M446-K448 VanDerWaalsContact O-N 3.15Å; K448-T450 PolarHBondContact O-N 2.88Å
449	G	90.6	Very high	91.9	Very high	9 Å²	9	29.3 Å²	29.3	9%	0.093	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-125.9	178.6	0	0	0	0	0	112.7	R398	R398-G449 PolarHBondContact NE-O 2.78Å; R398-G449 PolarHBondContact NH2-O 2.77Å
450	T	95.3	Very high	91.6	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-3.4	-177.8	58.8	0	0	0	0	113.9	Y333 L357 W359 A395 K448 L452	Y333-T450 HydrophobicContact CD1-CG2 3.71Å; Y333-T450 HydrophobicContact CE1-CG2 3.79Å; L357-T450 HydrophobicContact CB-CG2 4.27Å; L357-T450 HydrophobicContact CD2-CG2 3.69Å; L357-T450 HydrophobicContact CG-CG2 3.87Å; L357-T450 WeakPolarHBondContact O-CB 3.29Å; L357-T450 WeakPolarHBondContact O-CG2 3.48Å; L357-T450 PolarHBondContact O-OG1 3.17Å; W359-T450 HydrophobicContact CB-CG2 4.12Å; A395-T450 WeakPolarHBondContact CB-O 3.49Å; A395-T450 PolarHBondContact N-O 3.25Å; K448-T450 PolarHBondContact O-N 2.88Å; T450-L452 PolarHBondContact O-N 3.42Å; T450-L452 PolarHBondContact OG1-N 3.31Å; T450-L452 PolarHBondContact OG1-O 2.88Å
451	G	93.8	Very high	91.2	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	18%	0.179	C	C	.	.	S	Bend	trans	71.4	8.4	-168.5	0	0	0	0	0	114.6	Y380 V444	Y380-G451 VanDerWaalsContact CE1-O 3.32Å; Y380-G451 WeakPolarHBondContact CE1-O 3.48Å; Y380-G451 PolarHBondContact OH-O 2.92Å; V444-G451 VanDerWaalsContact CG1-O 3.27Å; V444-G451 WeakPolarHBondContact CG1-O 3.35Å
452	L	96.2	Very high	91	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.201	C	C	.	.			trans	-125.4	118.3	171.9	-65.5	169	0	0	0	108.3	V356 V372 C373 Y380 L393 L421 T450	V356-L452 HydrophobicContact CG1-CB 4.45Å; V356-L452 HydrophobicContact CG1-CD1 3.95Å; V372-L452 HydrophobicContact CG1-CB 4.07Å; C373-L452 WeakPolarHBondContact O-CA 3.28Å; Y380-L452 HydrophobicContact CD1-CD1 4.42Å; Y380-L452 HydrophobicContact CD1-CD2 3.97Å; Y380-L452 HydrophobicContact CD1-CG 4.19Å; Y380-L452 HydrophobicContact CE1-CD1 4.42Å; Y380-L452 HydrophobicContact CE1-CD2 3.39Å; Y380-L452 HydrophobicContact CE1-CG 3.72Å; L393-L452 HydrophobicContact CG-CD1 3.96Å; L393-L452 WeakPolarHBondContact O-CD1 3.39Å; L421-L452 HydrophobicContact CD1-CD2 4.46Å; T450-L452 PolarHBondContact O-N 3.42Å; T450-L452 PolarHBondContact OG1-N 3.31Å; T450-L452 PolarHBondContact OG1-O 2.88Å
453	V	96.2	Very high	91.3	Very high	45 Å²	45	29.5 Å²	29.5	27%	0.273	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117	-170.2	170.9	0	0	0	0	109.2	V372 C373 V444 T455	V372-V453 CarbonylContact C-O 3.59Å; V372-V453 WeakPolarHBondContact CA-O 3.28Å; C373-V453 HydrophobicContact CB-CB 4.44Å; C373-V453 PolarHBondContact N-O 2.95Å; C373-V453 PolarHBondContact O-N 3.02Å; V444-V453 HydrophobicContact CG1-CG2 4Å; V444-V453 HydrophobicContact CG2-CB 4.4Å; V444-V453 HydrophobicContact CG2-CG2 4.35Å; V453-T455 PolarHBondContact O-N 3.15Å; V453-T455 PolarHBondContact O-OG1 2.64Å
454	H	96.6	Very high	91.5	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.3	169.5	102.9	90.8	0	0	0	108.7	V358 T365 I366 N369	V358-H454 HydrophobicContact CB-CB 4.04Å; V358-H454 HydrophobicContact CG1-CB 4Å; V358-H454 HydrophobicContact CG2-CB 4.02Å; T365-H454 PolarHBondContact OG1-CE1 3.47Å; T365-H454 PolarHBondContact OG1-NE2 3.3Å; T365-H454 VanDerWaalsContact OG1-NE2 3.08Å; I366-H454 HydrophobicContact CD1-CB 4.41Å; N369-H454 WeakPolarHBondContact ND2-CB 3.18Å; N369-H454 PolarHBondContact ND2-ND1 3.23Å; N369-H454 VanDerWaalsContact ND2-ND1 3.18Å
455	T	95.8	Very high	91.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	-173	-52.3	0	0	0	0	110.9	N369 Q370 A371 C373 V453 D463	N369-T455 CarbonylContact C-O 3.51Å; N369-T455 WeakPolarHBondContact CA-O 3.29Å; N369-T455 PolarHBondContact ND2-N 2.71Å; N369-T455 PolarHBondContact ND2-O 3Å; Q370-T455 PolarHBondContact N-O 2.78Å; A371-T455 WeakPolarHBondContact O-CB 3.33Å; A371-T455 PolarHBondContact O-N 3.08Å; C373-T455 PolarHBondContact SG-OG1 3.04Å; V453-T455 PolarHBondContact O-N 3.15Å; V453-T455 PolarHBondContact O-OG1 2.64Å; T455-D463 VanDerWaalsContact CA-OD2 3.25Å; T455-D463 WeakPolarHBondContact CA-OD2 3.32Å; T455-D463 HydrophobicContact CG2-CB 3.65Å
456	A	95.6	Very high	91.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	17%	0.165	C	C	.	.			trans	-119.2	89.4	178.3	0	0	0	0	0	110.1	A368 A458 H459 G460 D463	A368-A456 HydrophobicContact CB-CB 4.32Å; A456-A458 PolarHBondContact O-N 2.81Å; A456-H459 PolarHBondContact O-N 3.05Å; A456-G460 PolarHBondContact O-N 3.1Å; A456-D463 PolarHBondContact N-OD2 3.46Å
457	P	93.1	Very high	91.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.1	-164.9	-30.3	38.9	0	0	0	117.4	P305 Q370 A467 V474	P305-P457 WeakPolarHBondContact CG-O 3.34Å; Q370-P457 HydrophobicContact CB-CG 4.1Å; Q370-P457 HydrophobicContact CG-CG 4.03Å; P457-A467 HydrophobicContact CB-CB 3.56Å; P457-A467 HydrophobicContact CG-CB 3.64Å; P457-V474 HydrophobicContact CB-CG1 4.4Å; P457-V474 HydrophobicContact CB-CG2 4.04Å
458	A	92.8	Very high	91.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.2	174.1	0	0	0	0	0	113.2	A456 V474 E475 C476 R538 P539	A456-A458 PolarHBondContact O-N 2.81Å; A458-V474 HydrophobicContact CB-CG1 4.46Å; A458-E475 VanDerWaalsContact CB-O 3.31Å; A458-E475 WeakPolarHBondContact CB-O 3.37Å; A458-C476 HydrophobicContact CB-CB 4.29Å; A458-R538 WeakPolarHBondContact O-CA 3.43Å; A458-P539 HydrophobicContact CB-CG 4.02Å; A458-P539 WeakPolarHBondContact O-CD 3.49Å
459	H	94	Very high	91.8	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.037	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	5.4	-164.3	-56	-54.2	0	0	0	114	W364 T365 A456 I537	W364-H459 HydrophobicContact CH2-CB 4.07Å; W364-H459 AromaticContact CH2-CG 3.79Å; W364-H459 AromaticContact CH2-ND1 3.68Å; W364-H459 HydrophobicContact CZ3-CB 4.3Å; W364-H459 AromaticContact CZ3-CD2 3.85Å; W364-H459 AromaticContact CZ3-CE1 3.8Å; W364-H459 AromaticContact CZ3-CG 3.64Å; W364-H459 AromaticContact CZ3-ND1 3.61Å; W364-H459 AromaticContact CZ3-NE2 3.96Å; T365-H459 HydrophobicContact CG2-CB 3.74Å; A456-H459 PolarHBondContact O-N 3.05Å; H459-I537 PolarHBondContact ND1-O 3.1Å; H459-I537 WeakPolarHBondContact O-CB 3.33Å
460	G	90.3	Very high	91.9	Very high	9 Å²	9	31.8 Å²	31.8	9%	0.093	18%	0.176	C	C	.	.			trans	-143.5	144.1	171.2	0	0	0	0	0	112.5	A456 Y464	A456-G460 PolarHBondContact O-N 3.1Å; G460-Y464 WeakPolarHBondContact O-CB 3.29Å; G460-Y464 PolarHBondContact O-N 2.87Å
461	M	87.4	Confident	91.7	Very high	51 Å²	51	40.8 Å²	40.8	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-78.1	-36	179.5	-71.5	-165.2	175.3	0	0	113	F307 S465	F307-M461 HydrophobicContact CD2-CE 4.01Å; F307-M461 HydrophobicContact CE1-CE 4.41Å; F307-M461 HydrophobicContact CE2-CE 3.53Å; F307-M461 HydrophobicContact CE2-SD 4.29Å; F307-M461 HydrophobicContact CZ-CE 3.76Å; F307-M461 HydrophobicContact CZ-SD 4.13Å; M461-S465 PolarHBondContact O-N 2.93Å; M461-S465 VanDerWaalsContact O-N 3.07Å; M461-S465 PolarHBondContact O-OG 2.84Å
462	D	88.7	Confident	91.6	Very high	95 Å²	95	42 Å²	42	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-68.9	-39	171	-73.3	-46.8	0	0	0	110.6	H443 Y464 S465 V466	H443-D462 HydrophobicContact CB-CB 4.03Å; D462-Y464 PolarHBondContact O-N 3.49Å; D462-S465 WeakPolarHBondContact O-CA 3.5Å; D462-S465 WeakPolarHBondContact O-CB 3.2Å; D462-S465 PolarHBondContact O-N 3.1Å; D462-S465 VanDerWaalsContact O-N 3.08Å; D462-V466 PolarHBondContact O-N 2.72Å
463	D	92.3	Very high	91.3	Very high	26 Å²	26	45 Å²	45	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-58.1	-46.4	174	-56.4	49.6	0	0	0	112.3	T455 A456 S465 V466 A467	T455-D463 VanDerWaalsContact CA-OD2 3.25Å; T455-D463 WeakPolarHBondContact CA-OD2 3.32Å; T455-D463 HydrophobicContact CG2-CB 3.65Å; A456-D463 PolarHBondContact N-OD2 3.46Å; D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 3.03Å; D463-V466 PolarHBondContact O-N 2.74Å; D463-A467 WeakPolarHBondContact O-CB 3.34Å; D463-A467 PolarHBondContact O-N 2.88Å
464	Y	90	Very high	91	Very high	39 Å²	39	44.9 Å²	44.9	15%	0.153	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-34	173.7	-179.6	-92.2	0	0	0	112.5	Y303 K304 P305 G460 D462 A467 S468 V474	Y303-Y464 PolarHBondContact O-OH 2.95Å; K304-Y464 HydrophobicContact CD-CE1 4.45Å; K304-Y464 HydrophobicContact CG-CE1 4.31Å; P305-Y464 HydrophobicContact CG-CD2 3.67Å; P305-Y464 HydrophobicContact CG-CE2 4.45Å; P305-Y464 HydrophobicContact CG-CG 3.81Å; G460-Y464 WeakPolarHBondContact O-CB 3.29Å; G460-Y464 PolarHBondContact O-N 2.87Å; D462-Y464 PolarHBondContact O-N 3.49Å; Y464-A467 PolarHBondContact O-N 3.5Å; Y464-S468 WeakPolarHBondContact O-CB 3.3Å; Y464-S468 PolarHBondContact O-N 3.34Å; Y464-V474 HydrophobicContact CD2-CG1 4.04Å; Y464-V474 HydrophobicContact CD2-CG2 4Å; Y464-V474 HydrophobicContact CE2-CG1 4.22Å; Y464-V474 HydrophobicContact CE2-CG2 4.05Å
465	S	86.8	Confident	90.4	Very high	68 Å²	68	48.4 Å²	48.4	48%	0.476	26%	0.256	S	S	.	.	H	α-helix	trans	-66.6	-40.5	175.8	-58.6	0	0	0	0	111.3	M461 D462 D463 Q469	M461-S465 PolarHBondContact O-N 2.93Å; M461-S465 VanDerWaalsContact O-N 3.07Å; M461-S465 PolarHBondContact O-OG 2.84Å; D462-S465 WeakPolarHBondContact O-CA 3.5Å; D462-S465 WeakPolarHBondContact O-CB 3.2Å; D462-S465 PolarHBondContact O-N 3.1Å; D462-S465 VanDerWaalsContact O-N 3.08Å; D463-S465 VanDerWaalsContact C-N 3.3Å; D463-S465 PolarHBondContact O-N 3.03Å; S465-Q469 PolarHBondContact O-N 2.67Å; S465-Q469 VanDerWaalsContact O-N 3.11Å
466	V	89.4	Confident	90.2	Very high	7 Å²	7	49.6 Å²	49.6	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-64.1	-45.1	169.6	174.4	0	0	0	0	110.9	L439 A441 D462 D463 S468 Q469 F470	L439-V466 HydrophobicContact CD1-CG1 4.04Å; A441-V466 HydrophobicContact CB-CG2 3.76Å; D462-V466 PolarHBondContact O-N 2.72Å; D463-V466 PolarHBondContact O-N 2.74Å; V466-S468 VanDerWaalsContact C-N 3.32Å; V466-S468 PolarHBondContact O-N 2.72Å; V466-Q469 PolarHBondContact O-N 3.22Å; V466-Q469 VanDerWaalsContact O-N 3.1Å; V466-F470 HydrophobicContact CG1-CD2 3.77Å; V466-F470 HydrophobicContact CG1-CE2 4.28Å; V466-F470 WeakPolarHBondContact O-CD2 3.22Å; V466-F470 PolarHBondContact O-N 3.12Å
467	A	90.2	Very high	90.1	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-40.1	178.1	0	0	0	0	0	112.7	P457 D463 Y464 Q469 K471 L472 V474	P457-A467 HydrophobicContact CB-CB 3.56Å; P457-A467 HydrophobicContact CG-CB 3.64Å; D463-A467 WeakPolarHBondContact O-CB 3.34Å; D463-A467 PolarHBondContact O-N 2.88Å; Y464-A467 PolarHBondContact O-N 3.5Å; A467-Q469 VanDerWaalsContact C-N 3.34Å; A467-K471 CarbonylContact O-C 3.56Å; A467-K471 WeakPolarHBondContact O-CA 3.27Å; A467-K471 PolarHBondContact O-N 3.2Å; A467-L472 HydrophobicContact CB-CB 3.86Å; A467-L472 HydrophobicContact CB-CD1 4.42Å; A467-L472 HydrophobicContact CB-CG 4.47Å; A467-L472 PolarHBondContact O-N 2.75Å; A467-V474 HydrophobicContact CB-CG2 4.3Å
468	S	85.6	Confident	90.1	Very high	89 Å²	89	50.3 Å²	50.3	62%	0.622	27%	0.267	S	S	*	.	H	α-helix	trans	-66.2	-34.9	174.4	-174.5	0	0	0	0	112.4	Y464 V466	Y464-S468 WeakPolarHBondContact O-CB 3.3Å; Y464-S468 PolarHBondContact O-N 3.34Å; V466-S468 VanDerWaalsContact C-N 3.32Å; V466-S468 PolarHBondContact O-N 2.72Å
469	Q	87.8	Confident	90.1	Very high	136 Å²	136	52.4 Å²	52.4	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-72	-44.5	177.2	179.2	177.8	-19.8	0	0	112.2	S465 V466 A467	S465-Q469 PolarHBondContact O-N 2.67Å; S465-Q469 VanDerWaalsContact O-N 3.11Å; V466-Q469 PolarHBondContact O-N 3.22Å; V466-Q469 VanDerWaalsContact O-N 3.1Å; A467-Q469 VanDerWaalsContact C-N 3.34Å
470	F	91.3	Very high	90	Very high	71 Å²	71	56.2 Å²	56.2	31%	0.311	30%	0.296	S	S	.	.	H	α-helix	trans	-99.9	1.9	-174.1	-68.2	-81.9	0	0	0	114.4	L439 P440 V466 L472	L439-F470 HydrophobicContact CD1-CB 3.95Å; L439-F470 HydrophobicContact CD1-CD1 4.49Å; L439-F470 HydrophobicContact CD1-CD2 4.03Å; L439-F470 HydrophobicContact CD1-CG 3.9Å; L439-F470 HydrophobicContact CD2-CD1 3.88Å; L439-F470 HydrophobicContact CD2-CE1 4.19Å; L439-F470 HydrophobicContact CD2-CG 4.13Å; P440-F470 HydrophobicContact CG-CE1 4.49Å; P440-F470 HydrophobicContact CG-CZ 3.9Å; V466-F470 HydrophobicContact CG1-CD2 3.77Å; V466-F470 HydrophobicContact CG1-CE2 4.28Å; V466-F470 WeakPolarHBondContact O-CD2 3.22Å; V466-F470 PolarHBondContact O-N 3.12Å; F470-L472 HydrophobicContact CB-CG 4.34Å
471	K	91.4	Very high	90	Very high	192 Å²	192	58.6 Å²	58.6	84%	0.835	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	42.4	-178.9	-54.1	178.8	-178	177.8	0	113.7	A467	A467-K471 CarbonylContact O-C 3.56Å; A467-K471 WeakPolarHBondContact O-CA 3.27Å; A467-K471 PolarHBondContact O-N 3.2Å
472	L	92.1	Very high	90.3	Very high	28 Å²	28	56.3 Å²	56.3	15%	0.147	30%	0.296	C	S	.	.			trans	-75.1	152	174.4	-55	177.7	0	0	0	111.2	Q370 A371 L439 A467 F470	Q370-L472 HydrophobicContact CB-CB 4.35Å; Q370-L472 HydrophobicContact CB-CD1 4.27Å; A371-L472 HydrophobicContact CB-CD1 3.79Å; L439-L472 HydrophobicContact CD1-CD1 3.85Å; L439-L472 HydrophobicContact CD1-CD2 4.23Å; L439-L472 HydrophobicContact CD1-CG 4.37Å; A467-L472 HydrophobicContact CB-CB 3.86Å; A467-L472 HydrophobicContact CB-CD1 4.42Å; A467-L472 HydrophobicContact CB-CG 4.47Å; A467-L472 PolarHBondContact O-N 2.75Å; F470-L472 HydrophobicContact CB-CG 4.34Å
473	P	89.9	Confident	90.7	Very high	64 Å²	64	56 Å²	56	42%	0.416	29%	0.288	S	S	.	.			trans	-59.2	143.9	170.7	-22.6	34.1	0	0	0	112.5	E475	P473-E475 HydrophobicContact CB-CG 4.03Å
474	V	89.6	Confident	90.9	Very high	42 Å²	42	54.9 Å²	54.9	26%	0.255	28%	0.282	S	S	.	.			trans	-113.5	71.3	173.4	-172.6	0	0	0	0	108.6	P457 A458 Y464 A467 P539	P457-V474 HydrophobicContact CB-CG1 4.4Å; P457-V474 HydrophobicContact CB-CG2 4.04Å; A458-V474 HydrophobicContact CB-CG1 4.46Å; Y464-V474 HydrophobicContact CD2-CG1 4.04Å; Y464-V474 HydrophobicContact CD2-CG2 4Å; Y464-V474 HydrophobicContact CE2-CG1 4.22Å; Y464-V474 HydrophobicContact CE2-CG2 4.05Å; A467-V474 HydrophobicContact CB-CG2 4.3Å; V474-P539 HydrophobicContact CG1-CG 4.42Å
475	E	85	Confident	91.1	Very high	87 Å²	87	54.9 Å²	54.9	41%	0.407	29%	0.286	S	S	.	.			trans	-83.4	115.6	-179	-65.1	173.3	153.8	0	0	110	Q370 A458 P473	Q370-E475 PolarHBondContact NE2-OE2 3.32Å; A458-E475 VanDerWaalsContact CB-O 3.31Å; A458-E475 WeakPolarHBondContact CB-O 3.37Å; P473-E475 HydrophobicContact CB-CG 4.03Å
476	C	90.6	Very high	91.4	Very high	25 Å²	25	58.7 Å²	58.7	17%	0.169	30%	0.296	C	S	.	.			trans	-92	116.9	172.8	-167.1	0	0	0	0	110.4	Y303 A458 V478 P539	Y303-C476 WeakPolarHBondContact OH-CB 3.42Å; A458-C476 HydrophobicContact CB-CB 4.29Å; C476-V478 PolarHBondContact SG-O 2.84Å; C476-P539 HydrophobicContact CB-CG 3.6Å
477	M	93.1	Very high	91.4	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.059	32%	0.321	C	S	.	.			trans	-92.4	3.5	176.5	-66.3	178.1	178.1	0	0	112.9	P367 A368 F484 T485 V487 A488	P367-M477 HydrophobicContact CB-SD 3.88Å; A368-M477 HydrophobicContact CB-SD 4.13Å; M477-F484 HydrophobicContact CB-CD1 4.24Å; M477-F484 HydrophobicContact CB-CE1 4.5Å; M477-F484 CarbonylContact O-C 3.59Å; M477-F484 WeakPolarHBondContact O-CA 3.44Å; M477-T485 VanDerWaalsContact C-OG1 3.31Å; M477-T485 PolarHBondContact O-N 3.01Å; M477-T485 PolarHBondContact O-OG1 2.88Å; M477-V487 HydrophobicContact CG-CG1 4.32Å; M477-A488 HydrophobicContact CB-CB 4.26Å
478	V	94.4	Very high	91.5	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.03	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-125.3	131.8	-166	-171.5	0	0	0	0	112.3	W364 C476 R483 F484 V497 R538	W364-V478 HydrophobicContact CE3-CG2 4.35Å; W364-V478 HydrophobicContact CZ3-CG2 3.9Å; C476-V478 PolarHBondContact SG-O 2.84Å; V478-R483 CarbonylContact C-O 3.57Å; V478-R483 WeakPolarHBondContact CA-O 3.34Å; V478-F484 HydrophobicContact CG2-CD1 4.3Å; V478-F484 HydrophobicContact CG2-CE1 4.41Å; V478-V497 HydrophobicContact CB-CG1 4.47Å; V478-V497 HydrophobicContact CG1-CG1 3.85Å; V478-V497 HydrophobicContact CG1-CG2 4.45Å; V478-V497 HydrophobicContact CG2-CG1 3.78Å; V478-R538 PolarHBondContact O-NE 3.31Å
479	D	93.3	Very high	91.7	Very high	45 Å²	45	60.1 Å²	60.1	24%	0.241	31%	0.307	C	S	.	.			trans	-83.7	-167.9	-179.4	72.3	19.2	0	0	0	113.7	D481 G482 R483 T485 R538	D479-D481 WeakPolarHBondContact OD1-CA 3.22Å; D479-D481 PolarHBondContact OD1-N 3.27Å; D479-G482 PolarHBondContact OD1-N 3.36Å; D479-R483 PolarHBondContact N-O 2.85Å; D479-R483 PolarHBondContact OD1-N 3.48Å; D479-R483 WeakPolarHBondContact OD2-CB 3.13Å; D479-T485 HydrophobicContact CB-CG2 4.07Å; D479-R538 WeakPolarHBondContact O-CD 3.3Å; D479-R538 PolarHBondContact O-NE 3.43Å
480	E	90.8	Very high	91.8	Very high	88 Å²	88	59.9 Å²	59.9	41%	0.411	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-20.4	-174.8	-49.3	-123.6	121.4	0	0	112.5	W308 G482 R538	W308-E480 HydrophobicContact CZ2-CB 3.83Å; W308-E480 HydrophobicContact CZ2-CG 4.36Å; W308-E480 PolarHBondContact NE1-O 3.39Å; E480-G482 VanDerWaalsContact C-N 3.32Å; E480-R538 IonicContact OE1-CZ 2.65Å; E480-R538 VanDerWaalsContact OE1-CZ 3.28Å; E480-R538 IonicContact OE1-NH1 3.83Å; E480-R538 PolarHBondContact OE1-NH1 3.1Å; E480-R538 IonicContact OE1-NH2 3.15Å; E480-R538 PolarHBondContact OE1-NH2 3.45Å
481	D	91.5	Very high	91.8	Very high	58 Å²	58	61.9 Å²	61.9	31%	0.31	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	4.1	173.9	-78.6	-29.6	0	0	0	112.4	R313 D479 R483 L496	R313-D481 IonicContact CZ-OD1 3.68Å; R313-D481 IonicContact CZ-OD2 2.74Å; R313-D481 IonicContact NE-OD1 2.82Å; R313-D481 PolarHBondContact NE-OD1 2.85Å; R313-D481 IonicContact NH2-OD1 3.81Å; R313-D481 PolarHBondContact NH2-OD1 3.46Å; R313-D481 IonicContact NH2-OD2 3.17Å; R313-D481 PolarHBondContact NH2-OD2 3.06Å; D479-D481 WeakPolarHBondContact OD1-CA 3.22Å; D479-D481 PolarHBondContact OD1-N 3.27Å; D481-R483 VanDerWaalsContact C-N 3.33Å; D481-R483 HydrophobicContact CB-CG 4.45Å; D481-L496 WeakPolarHBondContact O-CD2 3.39Å
482	G	93.6	Very high	92	Very high	4 Å²	4	52.8 Å²	52.8	4%	0.041	29%	0.286	C	S	.	.	S	Bend	trans	73.4	26	-179.1	0	0	0	0	0	112.9	D479 E480 V497	D479-G482 PolarHBondContact OD1-N 3.36Å; E480-G482 VanDerWaalsContact C-N 3.32Å; G482-V497 PolarHBondContact O-N 3.23Å
483	R	96.1	Very high	92.2	Very high	89 Å²	89	55.1 Å²	55.1	34%	0.336	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-102.8	155.5	175	-60	174.8	178.2	-78.6	-10	111.3	V478 D479 D481 N494 L495 L496	V478-R483 CarbonylContact C-O 3.57Å; V478-R483 WeakPolarHBondContact CA-O 3.34Å; D479-R483 PolarHBondContact N-O 2.85Å; D479-R483 PolarHBondContact OD1-N 3.48Å; D479-R483 WeakPolarHBondContact OD2-CB 3.13Å; D481-R483 VanDerWaalsContact C-N 3.33Å; D481-R483 HydrophobicContact CB-CG 4.45Å; R483-N494 WeakPolarHBondContact CD-O 3.49Å; R483-N494 PolarHBondContact NH1-O 3.29Å; R483-L495 CarbonylContact C-O 3.6Å; R483-L495 VanDerWaalsContact CA-O 3.23Å; R483-L495 WeakPolarHBondContact CA-O 3.25Å; R483-L496 HydrophobicContact CG-CD2 3.63Å; R483-L496 HydrophobicContact CG-CG 4.06Å
484	F	96.9	Very high	92.4	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-70	130.5	170.8	-80.1	-61.7	0	0	0	111.7	W364 M477 V478 A488 L492 Q493 N494 L495 V497 V505	W364-F484 HydrophobicContact CB-CE2 4.37Å; W364-F484 HydrophobicContact CB-CZ 3.95Å; W364-F484 WeakPolarHBondContact O-CZ 3.47Å; M477-F484 HydrophobicContact CB-CD1 4.24Å; M477-F484 HydrophobicContact CB-CE1 4.5Å; M477-F484 CarbonylContact O-C 3.59Å; M477-F484 WeakPolarHBondContact O-CA 3.44Å; V478-F484 HydrophobicContact CG2-CD1 4.3Å; V478-F484 HydrophobicContact CG2-CE1 4.41Å; F484-A488 HydrophobicContact CB-CB 3.77Å; F484-A488 HydrophobicContact CD1-CB 3.56Å; F484-A488 HydrophobicContact CE1-CB 4.34Å; F484-A488 HydrophobicContact CG-CB 3.87Å; F484-L492 HydrophobicContact CB-CB 4.14Å; F484-L492 VanDerWaalsContact CB-O 3.25Å; F484-L492 WeakPolarHBondContact CB-O 3.47Å; F484-L492 HydrophobicContact CD2-CB 3.76Å; F484-L492 HydrophobicContact CD2-CD2 4.36Å; F484-L492 HydrophobicContact CD2-CG 4.44Å; F484-L492 HydrophobicContact CE1-CD1 4.44Å; F484-L492 HydrophobicContact CE2-CB 4.22Å; F484-L492 HydrophobicContact CE2-CD1 4.24Å; F484-L492 HydrophobicContact CE2-CD2 4.08Å; F484-L492 HydrophobicContact CE2-CG 4.41Å; F484-L492 HydrophobicContact CG-CB 3.94Å; F484-L492 HydrophobicContact CZ-CD1 4.18Å; F484-Q493 WeakPolarHBondContact O-CA 3.42Å; F484-N494 PolarHBondContact O-N 2.86Å; F484-L495 PolarHBondContact N-O 2.88Å; F484-V497 HydrophobicContact CD1-CG1 3.98Å; F484-V497 HydrophobicContact CD2-CG1 3.88Å; F484-V497 HydrophobicContact CE1-CG1 4Å; F484-V497 HydrophobicContact CE2-CB 4.36Å; F484-V497 HydrophobicContact CE2-CG1 3.92Å; F484-V497 HydrophobicContact CG-CG1 3.93Å; F484-V497 HydrophobicContact CZ-CB 4.46Å; F484-V497 HydrophobicContact CZ-CG1 3.99Å; F484-V505 HydrophobicContact CZ-CG2 4.39Å
485	T	94.7	Very high	92.8	Very high	38 Å²	38	57.3 Å²	57.3	23%	0.233	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-72.4	172.3	170.9	61.4	0	0	0	0	112	M477 D479 V487 A488	M477-T485 VanDerWaalsContact C-OG1 3.31Å; M477-T485 PolarHBondContact O-N 3.01Å; M477-T485 PolarHBondContact O-OG1 2.88Å; D479-T485 HydrophobicContact CB-CG2 4.07Å; T485-V487 PolarHBondContact O-N 2.71Å; T485-V487 PolarHBondContact OG1-N 3.11Å; T485-A488 WeakPolarHBondContact O-CB 3.2Å; T485-A488 PolarHBondContact O-N 2.95Å; T485-A488 VanDerWaalsContact O-N 3.1Å
486	E	92.4	Very high	93.3	Very high	148 Å²	148	55.6 Å²	55.6	69%	0.692	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-57	-26	171.9	62.9	-174.1	-171.1	0	0	113.9	A488 G489 Q493	E486-A488 PolarHBondContact O-N 3.35Å; E486-G489 PolarHBondContact O-N 3Å; E486-Q493 HydrophobicContact CB-CG 4.48Å
487	V	89.9	Confident	93.5	Very high	95 Å²	95	54.5 Å²	54.5	58%	0.576	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.6	-24.7	177.5	-172.9	0	0	0	0	112.1	M477 T485 G489	M477-V487 HydrophobicContact CG-CG1 4.32Å; T485-V487 PolarHBondContact O-N 2.71Å; T485-V487 PolarHBondContact OG1-N 3.11Å; V487-G489 PolarHBondContact O-N 3.3Å
488	A	91.4	Very high	93.4	Very high	12 Å²	12	56.6 Å²	56.6	10%	0.099	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-73.8	-9.8	173.8	0	0	0	0	0	113.5	M477 F484 T485 E486 L492	M477-A488 HydrophobicContact CB-CB 4.26Å; F484-A488 HydrophobicContact CB-CB 3.77Å; F484-A488 HydrophobicContact CD1-CB 3.56Å; F484-A488 HydrophobicContact CE1-CB 4.34Å; F484-A488 HydrophobicContact CG-CB 3.87Å; T485-A488 WeakPolarHBondContact O-CB 3.2Å; T485-A488 PolarHBondContact O-N 2.95Å; T485-A488 VanDerWaalsContact O-N 3.1Å; E486-A488 PolarHBondContact O-N 3.35Å; A488-L492 HydrophobicContact CB-CB 3.73Å; A488-L492 HydrophobicContact CB-CD1 4.14Å
489	G	90.3	Very high	93.4	Very high	22 Å²	22	59.8 Å²	59.8	23%	0.227	32%	0.318	C	S	.	.			trans	81.6	167.9	-178.2	0	0	0	0	0	114.6	E486 V487 K491 L492 Q493	E486-G489 PolarHBondContact O-N 3Å; V487-G489 PolarHBondContact O-N 3.3Å; G489-K491 PolarHBondContact O-N 3.49Å; G489-K491 VanDerWaalsContact O-N 3.11Å; G489-L492 PolarHBondContact O-N 3.13Å; G489-Q493 PolarHBondContact O-N 3.31Å
490	P	90.6	Very high	93.5	Very high	131 Å²	131	61.9 Å²	61.9	85%	0.851	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.5	-165.8	27.8	-36.6	0	0	0	115.2
491	K	91.3	Very high	93.8	Very high	113 Å²	113	57.7 Å²	57.7	49%	0.491	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-19.1	170.8	-75.8	-159.8	176.2	-161.9	0	113.4	G489 M508 E511	G489-K491 PolarHBondContact O-N 3.49Å; G489-K491 VanDerWaalsContact O-N 3.11Å; K491-M508 HydrophobicContact CB-SD 4.23Å; K491-M508 HydrophobicContact CD-CG 4.01Å; K491-M508 HydrophobicContact CD-SD 4.3Å; K491-E511 IonicContact NZ-OE1 3.22Å; K491-E511 PolarHBondContact NZ-OE1 2.77Å; K491-E511 IonicContact NZ-OE2 3.97Å; K491-E511 PolarHBondContact NZ-OE2 2.92Å
492	L	95.6	Very high	94	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-31.6	-170.3	-64	-178.5	0	0	0	113.2	P367 F484 A488 G489 N494 L495 A504 V505 M508	P367-L492 HydrophobicContact CB-CD1 4.25Å; P367-L492 HydrophobicContact CG-CD1 3.71Å; F484-L492 HydrophobicContact CB-CB 4.14Å; F484-L492 VanDerWaalsContact CB-O 3.25Å; F484-L492 WeakPolarHBondContact CB-O 3.47Å; F484-L492 HydrophobicContact CD2-CB 3.76Å; F484-L492 HydrophobicContact CD2-CD2 4.36Å; F484-L492 HydrophobicContact CD2-CG 4.44Å; F484-L492 HydrophobicContact CE1-CD1 4.44Å; F484-L492 HydrophobicContact CE2-CB 4.22Å; F484-L492 HydrophobicContact CE2-CD1 4.24Å; F484-L492 HydrophobicContact CE2-CD2 4.08Å; F484-L492 HydrophobicContact CE2-CG 4.41Å; F484-L492 HydrophobicContact CG-CB 3.94Å; F484-L492 HydrophobicContact CZ-CD1 4.18Å; A488-L492 HydrophobicContact CB-CB 3.73Å; A488-L492 HydrophobicContact CB-CD1 4.14Å; G489-L492 PolarHBondContact O-N 3.13Å; L492-N494 PolarHBondContact O-N 3.19Å; L492-L495 VanDerWaalsContact O-CB 3.27Å; L492-L495 WeakPolarHBondContact O-CB 3.38Å; L492-L495 WeakPolarHBondContact O-CG 3.13Å; L492-L495 PolarHBondContact O-N 2.88Å; L492-L495 VanDerWaalsContact O-N 3.07Å; L492-A504 HydrophobicContact CD2-CB 3.63Å; L492-V505 HydrophobicContact CD1-CG2 3.93Å; L492-V505 HydrophobicContact CD2-CG2 3.67Å; L492-V505 HydrophobicContact CG-CG2 4.49Å; L492-M508 HydrophobicContact CD1-SD 4.22Å; L492-M508 HydrophobicContact CD2-SD 3.97Å; L492-M508 HydrophobicContact CG-SD 4.09Å
493	Q	95.6	Very high	94.2	Very high	77 Å²	77	58.5 Å²	58.5	36%	0.36	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	135	-176.4	-173.6	-179.9	5.8	0	0	113.5	F484 E486 G489 L495	F484-Q493 WeakPolarHBondContact O-CA 3.42Å; E486-Q493 HydrophobicContact CB-CG 4.48Å; G489-Q493 PolarHBondContact O-N 3.31Å; Q493-L495 PolarHBondContact O-N 3Å
494	N	94.5	Very high	94.2	Very high	100 Å²	100	55.2 Å²	55.2	54%	0.535	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	-5.3	-177	-52.4	-42.7	0	0	0	116.5	R483 F484 L492	R483-N494 WeakPolarHBondContact CD-O 3.49Å; R483-N494 PolarHBondContact NH1-O 3.29Å; F484-N494 PolarHBondContact O-N 2.86Å; L492-N494 PolarHBondContact O-N 3.19Å
495	L	96.9	Very high	94.2	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.277	30%	0.302	S	S	.	.			trans	-75.7	141.2	174.7	-56	-177.6	0	0	0	111.2	R483 F484 L492 Q493 E500 A504	R483-L495 CarbonylContact C-O 3.6Å; R483-L495 VanDerWaalsContact CA-O 3.23Å; R483-L495 WeakPolarHBondContact CA-O 3.25Å; F484-L495 PolarHBondContact N-O 2.88Å; L492-L495 VanDerWaalsContact O-CB 3.27Å; L492-L495 WeakPolarHBondContact O-CB 3.38Å; L492-L495 WeakPolarHBondContact O-CG 3.13Å; L492-L495 PolarHBondContact O-N 2.88Å; L492-L495 VanDerWaalsContact O-N 3.07Å; Q493-L495 PolarHBondContact O-N 3Å; L495-E500 HydrophobicContact CB-CB 4.2Å; L495-E500 HydrophobicContact CD1-CB 4.48Å; L495-E500 HydrophobicContact CD2-CB 4.06Å; L495-E500 HydrophobicContact CG-CB 4.48Å; L495-A504 HydrophobicContact CD1-CB 3.8Å
496	L	96.1	Very high	94.4	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.267	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-70.2	128.3	174.2	-74.1	163.1	0	0	0	110	D481 R483 M498 T499 E500 G501	D481-L496 WeakPolarHBondContact O-CD2 3.39Å; R483-L496 HydrophobicContact CG-CD2 3.63Å; R483-L496 HydrophobicContact CG-CG 4.06Å; L496-M498 VanDerWaalsContact C-N 3.35Å; L496-M498 PolarHBondContact O-N 3.05Å; L496-T499 WeakPolarHBondContact CB-OG1 3.5Å; L496-T499 PolarHBondContact O-N 3.19Å; L496-E500 PolarHBondContact O-N 3.45Å; L496-G501 WeakPolarHBondContact O-CA 3.32Å; L496-G501 PolarHBondContact O-N 3.02Å
497	V	95.4	Very high	94.6	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-35	-167.1	-58.4	0	0	0	0	113.3	W364 V478 G482 F484 T499 T502 V536	W364-V497 HydrophobicContact CB-CB 4.03Å; W364-V497 WeakPolarHBondContact CB-O 3.27Å; W364-V497 HydrophobicContact CD2-CB 3.67Å; W364-V497 HydrophobicContact CD2-CG2 3.76Å; W364-V497 HydrophobicContact CE3-CB 3.73Å; W364-V497 HydrophobicContact CE3-CG1 4.14Å; W364-V497 HydrophobicContact CE3-CG2 3.9Å; W364-V497 HydrophobicContact CG-CB 3.82Å; W364-V497 HydrophobicContact CG-CG2 4.25Å; W364-V497 HydrophobicContact CH2-CG2 4.34Å; W364-V497 HydrophobicContact CZ2-CG2 4.21Å; W364-V497 HydrophobicContact CZ3-CB 4.43Å; W364-V497 HydrophobicContact CZ3-CG2 4.19Å; V478-V497 HydrophobicContact CB-CG1 4.47Å; V478-V497 HydrophobicContact CG1-CG1 3.85Å; V478-V497 HydrophobicContact CG1-CG2 4.45Å; V478-V497 HydrophobicContact CG2-CG1 3.78Å; G482-V497 PolarHBondContact O-N 3.23Å; F484-V497 HydrophobicContact CD1-CG1 3.98Å; F484-V497 HydrophobicContact CD2-CG1 3.88Å; F484-V497 HydrophobicContact CE1-CG1 4Å; F484-V497 HydrophobicContact CE2-CB 4.36Å; F484-V497 HydrophobicContact CE2-CG1 3.92Å; F484-V497 HydrophobicContact CG-CG1 3.93Å; F484-V497 HydrophobicContact CZ-CB 4.46Å; F484-V497 HydrophobicContact CZ-CG1 3.99Å; V497-T499 VanDerWaalsContact C-N 3.32Å; V497-T499 PolarHBondContact O-N 2.94Å; V497-T502 PolarHBondContact O-N 3.38Å; V497-T502 VanDerWaalsContact O-N 3.14Å; V497-T502 PolarHBondContact O-OG1 3.29Å; V497-V536 HydrophobicContact CG2-CG1 4.21Å
498	M	91.3	Very high	94.9	Very high	57 Å²	57	46.4 Å²	46.4	28%	0.281	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.1	-177.8	-61.5	-162.1	70.2	0	0	114.4	L496 Y525 P534 V536	L496-M498 VanDerWaalsContact C-N 3.35Å; L496-M498 PolarHBondContact O-N 3.05Å; M498-Y525 HydrophobicContact CE-CE1 3.8Å; M498-Y525 HydrophobicContact CE-CE2 4.44Å; M498-P534 HydrophobicContact CE-CB 3.77Å; M498-P534 HydrophobicContact CE-CG 4.4Å; M498-P534 HydrophobicContact SD-CB 3.57Å; M498-P534 VanDerWaalsContact SD-CB 3.57Å; M498-P534 HydrophobicContact SD-CG 4.45Å; M498-V536 HydrophobicContact CG-CG1 4.16Å; M498-V536 HydrophobicContact SD-CG1 3.86Å
499	T	93.6	Very high	95.2	Very high	72 Å²	72	45.9 Å²	45.9	44%	0.442	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-104.3	-178.9	40.8	0	0	0	0	110.1	L496 V497 G501 T502 D503	L496-T499 WeakPolarHBondContact CB-OG1 3.5Å; L496-T499 PolarHBondContact O-N 3.19Å; V497-T499 VanDerWaalsContact C-N 3.32Å; V497-T499 PolarHBondContact O-N 2.94Å; T499-G501 PolarHBondContact O-N 3.03Å; T499-G501 VanDerWaalsContact O-N 3.11Å; T499-T502 WeakPolarHBondContact O-CA 3.43Å; T499-T502 WeakPolarHBondContact O-CB 3.48Å; T499-T502 PolarHBondContact O-N 3.25Å; T499-D503 PolarHBondContact O-N 3.14Å; T499-D503 VanDerWaalsContact O-N 3.08Å
500	E	96.1	Very high	95.5	Very high	88 Å²	88	50.1 Å²	50.1	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-31.1	-173.4	-53.8	96.6	126.4	0	0	112.6	L495 L496 D503 A504	L495-E500 HydrophobicContact CB-CB 4.2Å; L495-E500 HydrophobicContact CD1-CB 4.48Å; L495-E500 HydrophobicContact CD2-CB 4.06Å; L495-E500 HydrophobicContact CG-CB 4.48Å; L496-E500 PolarHBondContact O-N 3.45Å; E500-D503 PolarHBondContact O-N 3.17Å; E500-A504 WeakPolarHBondContact O-CB 3.17Å; E500-A504 PolarHBondContact O-N 2.68Å
501	G	95.8	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-32.4	174.7	0	0	0	0	0	113.6	L496 T499 V505	L496-G501 WeakPolarHBondContact O-CA 3.32Å; L496-G501 PolarHBondContact O-N 3.02Å; T499-G501 PolarHBondContact O-N 3.03Å; T499-G501 VanDerWaalsContact O-N 3.11Å; G501-V505 WeakPolarHBondContact O-CG2 3.48Å; G501-V505 PolarHBondContact O-N 3.25Å; G501-V505 VanDerWaalsContact O-N 3.12Å
502	T	96.4	Very high	95.7	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-43.9	170.9	-78.1	0	0	0	0	110.2	P363 V497 T499 A504 V505 I506	P363-T502 HydrophobicContact CB-CG2 4.12Å; P363-T502 HydrophobicContact CG-CG2 3.94Å; V497-T502 PolarHBondContact O-N 3.38Å; V497-T502 VanDerWaalsContact O-N 3.14Å; V497-T502 PolarHBondContact O-OG1 3.29Å; T499-T502 WeakPolarHBondContact O-CA 3.43Å; T499-T502 WeakPolarHBondContact O-CB 3.48Å; T499-T502 PolarHBondContact O-N 3.25Å; T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 2.83Å; T502-V505 PolarHBondContact O-N 3.25Å; T502-I506 HydrophobicContact CG2-CD1 3.89Å; T502-I506 WeakPolarHBondContact O-CG1 3.43Å; T502-I506 PolarHBondContact O-N 2.98Å
503	D	96.4	Very high	95.7	Very high	71 Å²	71	50 Å²	50	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-41	178	-57.4	-17.5	0	0	0	112	R330 T499 E500 S507	R330-D503 IonicContact CZ-OD1 3.63Å; R330-D503 IonicContact NH1-OD1 2.75Å; R330-D503 PolarHBondContact NH1-OD1 3.42Å; T499-D503 PolarHBondContact O-N 3.14Å; T499-D503 VanDerWaalsContact O-N 3.08Å; E500-D503 PolarHBondContact O-N 3.17Å; D503-S507 WeakPolarHBondContact O-CB 3.4Å; D503-S507 PolarHBondContact O-N 3.03Å; D503-S507 PolarHBondContact O-OG 2.85Å
504	A	97	Very high	95.7	Very high	20 Å²	20	46.6 Å²	46.6	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-43.5	176.5	0	0	0	0	0	112.5	L492 L495 E500 T502 S507 M508	L492-A504 HydrophobicContact CD2-CB 3.63Å; L495-A504 HydrophobicContact CD1-CB 3.8Å; E500-A504 WeakPolarHBondContact O-CB 3.17Å; E500-A504 PolarHBondContact O-N 2.68Å; T502-A504 VanDerWaalsContact C-N 3.33Å; T502-A504 PolarHBondContact O-N 2.83Å; A504-S507 WeakPolarHBondContact O-CB 3.35Å; A504-S507 PolarHBondContact O-N 3.04Å; A504-M508 WeakPolarHBondContact O-CG 3.48Å; A504-M508 PolarHBondContact O-N 2.99Å
505	V	97.3	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-37.6	177.5	174.6	0	0	0	0	112.3	P363 I366 P367 F484 L492 G501 T502 S507 M508 L509	P363-V505 VanDerWaalsContact O-CG1 3.3Å; P363-V505 WeakPolarHBondContact O-CG1 3.42Å; I366-V505 HydrophobicContact CB-CG1 4.16Å; P367-V505 HydrophobicContact CG-CG1 4.36Å; P367-V505 HydrophobicContact CG-CG2 3.68Å; F484-V505 HydrophobicContact CZ-CG2 4.39Å; L492-V505 HydrophobicContact CD1-CG2 3.93Å; L492-V505 HydrophobicContact CD2-CG2 3.67Å; L492-V505 HydrophobicContact CG-CG2 4.49Å; G501-V505 WeakPolarHBondContact O-CG2 3.48Å; G501-V505 PolarHBondContact O-N 3.25Å; G501-V505 VanDerWaalsContact O-N 3.12Å; T502-V505 PolarHBondContact O-N 3.25Å; V505-S507 VanDerWaalsContact C-N 3.26Å; V505-S507 PolarHBondContact O-N 3.03Å; V505-M508 PolarHBondContact O-N 2.94Å; V505-L509 HydrophobicContact CG1-CD1 4.29Å; V505-L509 WeakPolarHBondContact O-CG 3.2Å; V505-L509 PolarHBondContact O-N 3.38Å
506	I	97.5	Very high	95.7	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.046	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-40.8	172.8	-68.6	169.6	0	0	0	110.2	R330 I332 P363 T502 L509 N510 L515	R330-I506 HydrophobicContact CB-CD1 4.17Å; R330-I506 VanDerWaalsContact CZ-CD1 3.44Å; I332-I506 HydrophobicContact CG2-CD1 4.38Å; I332-I506 HydrophobicContact CG2-CG1 4.14Å; P363-I506 HydrophobicContact CB-CD1 4.29Å; P363-I506 HydrophobicContact CB-CG1 3.88Å; P363-I506 HydrophobicContact CG-CD1 4.07Å; P363-I506 HydrophobicContact CG-CG1 4.15Å; T502-I506 HydrophobicContact CG2-CD1 3.89Å; T502-I506 WeakPolarHBondContact O-CG1 3.43Å; T502-I506 PolarHBondContact O-N 2.98Å; I506-L509 PolarHBondContact O-N 2.97Å; I506-N510 PolarHBondContact O-N 2.81Å; I506-L515 HydrophobicContact CG2-CD2 3.97Å
507	S	97.1	Very high	95.7	Very high	64 Å²	64	42 Å²	42	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-42.6	176.2	-59.3	0	0	0	0	111.9	D503 A504 V505 L509 N510 E511	D503-S507 WeakPolarHBondContact O-CB 3.4Å; D503-S507 PolarHBondContact O-N 3.03Å; D503-S507 PolarHBondContact O-OG 2.85Å; A504-S507 WeakPolarHBondContact O-CB 3.35Å; A504-S507 PolarHBondContact O-N 3.04Å; V505-S507 VanDerWaalsContact C-N 3.26Å; V505-S507 PolarHBondContact O-N 3.03Å; S507-L509 PolarHBondContact O-N 2.96Å; S507-N510 PolarHBondContact O-N 3.23Å; S507-E511 WeakPolarHBondContact O-CG 3.13Å; S507-E511 PolarHBondContact O-N 2.81Å
508	M	96.8	Very high	95.8	Very high	25 Å²	25	45.3 Å²	45.3	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-39.8	173.6	-68	169.9	74.8	0	0	112.7	T430 K491 L492 A504 V505 N510 E511 S512	T430-M508 HydrophobicContact CG2-CB 3.89Å; T430-M508 WeakPolarHBondContact O-CE 3.48Å; K491-M508 HydrophobicContact CB-SD 4.23Å; K491-M508 HydrophobicContact CD-CG 4.01Å; K491-M508 HydrophobicContact CD-SD 4.3Å; L492-M508 HydrophobicContact CD1-SD 4.22Å; L492-M508 HydrophobicContact CD2-SD 3.97Å; L492-M508 HydrophobicContact CG-SD 4.09Å; A504-M508 WeakPolarHBondContact O-CG 3.48Å; A504-M508 PolarHBondContact O-N 2.99Å; V505-M508 PolarHBondContact O-N 2.94Å; M508-N510 VanDerWaalsContact C-N 3.33Å; M508-E511 PolarHBondContact O-N 3.34Å; M508-S512 WeakPolarHBondContact O-CB 3.42Å; M508-S512 PolarHBondContact O-N 3.2Å; M508-S512 PolarHBondContact O-OG 2.8Å
509	L	97.1	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-31.8	175.7	-74.3	167.6	0	0	0	112.8	I332 A334 I366 P429 T430 V505 I506 S507 S512 G513 A514 L515	I332-L509 HydrophobicContact CD1-CD1 3.46Å; I332-L509 VanDerWaalsContact CD1-CD1 3.46Å; A334-L509 HydrophobicContact CB-CD1 4.39Å; A334-L509 HydrophobicContact CB-CD2 4.22Å; I366-L509 HydrophobicContact CG2-CD2 4.43Å; P429-L509 HydrophobicContact CB-CD2 3.84Å; P429-L509 HydrophobicContact CG-CD2 3.77Å; T430-L509 HydrophobicContact CG2-CD2 3.61Å; T430-L509 HydrophobicContact CG2-CG 3.72Å; V505-L509 HydrophobicContact CG1-CD1 4.29Å; V505-L509 WeakPolarHBondContact O-CG 3.2Å; V505-L509 PolarHBondContact O-N 3.38Å; I506-L509 PolarHBondContact O-N 2.97Å; S507-L509 PolarHBondContact O-N 2.96Å; L509-S512 PolarHBondContact O-OG 2.74Å; L509-G513 PolarHBondContact O-N 3.43Å; L509-A514 HydrophobicContact CD2-CB 3.98Å; L509-A514 PolarHBondContact O-N 2.97Å; L509-L515 HydrophobicContact CB-CB 4.11Å; L509-L515 PolarHBondContact O-N 3.02Å
510	N	96.2	Very high	96	Very high	112 Å²	112	49.4 Å²	49.4	60%	0.599	27%	0.274	S	S	*	.	H	α-helix	trans	-75.6	-42.9	174.9	-173.4	74.9	0	0	0	111.6	I506 S507 M508 S512 G513 L515	I506-N510 PolarHBondContact O-N 2.81Å; S507-N510 PolarHBondContact O-N 3.23Å; M508-N510 VanDerWaalsContact C-N 3.33Å; N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.8Å; N510-G513 PolarHBondContact O-N 3.46Å; N510-G513 VanDerWaalsContact O-N 3.12Å; N510-L515 HydrophobicContact CB-CD2 4.29Å
511	E	94.9	Very high	95.8	Very high	129 Å²	129	46.5 Å²	46.5	60%	0.603	26%	0.263	S	S	*	.	H	α-helix	trans	-56.8	-38.8	171.8	-73.9	173.8	173.6	0	0	112.4	K491 S507 M508 G513	K491-E511 IonicContact NZ-OE1 3.22Å; K491-E511 PolarHBondContact NZ-OE1 2.77Å; K491-E511 IonicContact NZ-OE2 3.97Å; K491-E511 PolarHBondContact NZ-OE2 2.92Å; S507-E511 WeakPolarHBondContact O-CG 3.13Å; S507-E511 PolarHBondContact O-N 2.81Å; M508-E511 PolarHBondContact O-N 3.34Å; E511-G513 VanDerWaalsContact C-N 3.28Å; E511-G513 PolarHBondContact O-N 3.15Å
512	S	93.1	Very high	95.7	Very high	57 Å²	57	51.1 Å²	51.1	40%	0.399	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	0.6	179.1	77.2	0	0	0	0	114.1	P429 M508 L509 N510 A514	P429-S512 WeakPolarHBondContact O-CB 3.34Å; P429-S512 PolarHBondContact O-OG 2.72Å; M508-S512 WeakPolarHBondContact O-CB 3.42Å; M508-S512 PolarHBondContact O-N 3.2Å; M508-S512 PolarHBondContact O-OG 2.8Å; L509-S512 PolarHBondContact O-OG 2.74Å; N510-S512 VanDerWaalsContact C-N 3.27Å; N510-S512 PolarHBondContact O-N 2.8Å; S512-A514 PolarHBondContact O-N 3.03Å; S512-A514 VanDerWaalsContact OG-CB 3.25Å; S512-A514 WeakPolarHBondContact OG-CB 3.48Å
513	G	93.7	Very high	95.5	Very high	56 Å²	56	52.9 Å²	52.9	58%	0.577	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	20.6	-174.7	0	0	0	0	0	114.5	L509 N510 E511	L509-G513 PolarHBondContact O-N 3.43Å; N510-G513 PolarHBondContact O-N 3.46Å; N510-G513 VanDerWaalsContact O-N 3.12Å; E511-G513 VanDerWaalsContact C-N 3.28Å; E511-G513 PolarHBondContact O-N 3.15Å
514	A	96.1	Very high	95.3	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	30%	0.302	C	S	.	.			trans	-96.2	-16.9	-175.9	0	0	0	0	0	113.9	A334 T335 P429 L509 S512 V516	A334-A514 CarbonylContact C-O 3.46Å; A334-A514 VanDerWaalsContact CA-O 3.32Å; A334-A514 WeakPolarHBondContact CA-O 3.36Å; T335-A514 PolarHBondContact N-O 2.98Å; T335-A514 VanDerWaalsContact OG1-CA 3.29Å; T335-A514 WeakPolarHBondContact OG1-CA 3.36Å; T335-A514 PolarHBondContact OG1-O 2.89Å; T335-A514 VanDerWaalsContact OG1-O 3.1Å; P429-A514 HydrophobicContact CB-CB 3.55Å; L509-A514 HydrophobicContact CD2-CB 3.98Å; L509-A514 PolarHBondContact O-N 2.97Å; S512-A514 PolarHBondContact O-N 3.03Å; S512-A514 VanDerWaalsContact OG-CB 3.25Å; S512-A514 WeakPolarHBondContact OG-CB 3.48Å; A514-V516 PolarHBondContact O-N 3.18Å
515	L	97.3	Very high	95.1	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.209	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122.1	174.9	-171.9	63.5	0	0	0	110.4	I332 I506 L509 N510	I332-L515 HydrophobicContact CB-CD1 4.02Å; I332-L515 HydrophobicContact CG2-CD1 3.83Å; I506-L515 HydrophobicContact CG2-CD2 3.97Å; L509-L515 HydrophobicContact CB-CB 4.11Å; L509-L515 PolarHBondContact O-N 3.02Å; N510-L515 HydrophobicContact CB-CD2 4.29Å
516	V	95.8	Very high	94.8	Very high	23 Å²	23	53.8 Å²	53.8	14%	0.139	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-38.7	178.2	169.3	0	0	0	0	111.8	Y333 T335 L357 L406 A514	Y333-V516 PolarHBondContact O-N 3.47Å; T335-V516 HydrophobicContact CG2-CG2 3.8Å; L357-V516 HydrophobicContact CD1-CB 4.05Å; L357-V516 HydrophobicContact CD1-CG1 4.28Å; L357-V516 HydrophobicContact CD1-CG2 3.76Å; L406-V516 HydrophobicContact CD1-CG1 4.19Å; L406-V516 HydrophobicContact CD2-CG1 3.9Å; A514-V516 PolarHBondContact O-N 3.18Å
517	L	95.8	Very high	94.5	Very high	44 Å²	44	55.1 Å²	55.1	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	147.6	176.2	177.4	65.2	0	0	0	109.7	I332 Y333 L405 L406	I332-L517 WeakPolarHBondContact CA-O 3.38Å; Y333-L517 HydrophobicContact CD2-CB 3.96Å; Y333-L517 HydrophobicContact CD2-CD2 3.95Å; Y333-L517 HydrophobicContact CD2-CG 4.24Å; Y333-L517 HydrophobicContact CE2-CD2 4.09Å; Y333-L517 HydrophobicContact CG-CB 4.45Å; Y333-L517 PolarHBondContact N-O 2.73Å; Y333-L517 PolarHBondContact O-N 2.82Å; L405-L517 HydrophobicContact CD1-CD2 4.19Å; L405-L517 HydrophobicContact CD2-CD2 3.71Å; L405-L517 HydrophobicContact CG-CD2 3.57Å; L406-L517 HydrophobicContact CD2-CB 3.96Å; L406-L517 HydrophobicContact CD2-CD2 4.15Å
518	E	96.3	Very high	94	Very high	71 Å²	71	52.1 Å²	52.1	33%	0.332	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.5	162.8	-170.5	-161.8	140.8	0	0	109.1	R330 A331 I332	R330-E518 IonicContact CZ-OE1 2.66Å; R330-E518 IonicContact CZ-OE2 3.28Å; R330-E518 IonicContact NE-OE1 2.73Å; R330-E518 PolarHBondContact NE-OE1 3.13Å; R330-E518 IonicContact NE-OE2 3.82Å; R330-E518 IonicContact NH2-OE1 3.45Å; R330-E518 PolarHBondContact NH2-OE1 2.8Å; R330-E518 IonicContact NH2-OE2 3.42Å; R330-E518 PolarHBondContact NH2-OE2 3.24Å; A331-E518 CarbonylContact O-C 3.54Å; A331-E518 WeakPolarHBondContact O-CA 3.42Å; I332-E518 HydrophobicContact CG2-CB 4.45Å; I332-E518 HydrophobicContact CG2-CG 4.13Å
519	E	94.6	Very high	92.9	Very high	53 Å²	53	54.4 Å²	54.4	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.2	177.2	68.6	-176.6	168.6	0	0	111.7	A331 Y333 W359	A331-E519 HydrophobicContact CB-CG 3.86Å; A331-E519 PolarHBondContact N-O 3.02Å; A331-E519 PolarHBondContact O-N 3.3Å; Y333-E519 WeakPolarHBondContact CE2-OE1 3.44Å; W359-E519 PolarHBondContact NE1-OE1 3.22Å
520	Q	94.6	Very high	91.8	Very high	163 Å²	163	58.4 Å²	58.4	76%	0.762	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	118.8	168	-72.4	-173.2	-8.1	0	0	109.9	V328	V328-Q520 HydrophobicContact CG1-CB 4.07Å; V328-Q520 HydrophobicContact CG1-CG 4.28Å
521	C	92.8	Very high	91.1	Very high	26 Å²	26	55.1 Å²	55.1	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.1	179.7	-168.4	0	0	0	0	110.3	S329 A331 T361	S329-C521 PolarHBondContact N-O 3.3Å; S329-C521 PolarHBondContact O-N 3.06Å; A331-C521 HydrophobicContact CB-CB 3.71Å; T361-C521 HydrophobicContact CG2-CB 4.19Å
522	V	93.5	Very high	90.7	Very high	98 Å²	98	53.8 Å²	53.8	59%	0.594	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.8	169.1	-172.8	0	0	0	0	108.4	H327 V328	H327-V522 WeakPolarHBondContact O-CA 3.41Å; V328-V522 HydrophobicContact CG2-CG2 4.32Å
523	H	91.8	Very high	90.6	Very high	46 Å²	46	55.8 Å²	55.8	21%	0.213	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	172	-179.9	75.5	127.1	0	0	0	113.1	H327 S329 Y525	H327-H523 AromaticContact CD2-NE2 3.87Å; H327-H523 PolarHBondContact N-O 3.14Å; H327-H523 PolarHBondContact O-N 3.01Å; S329-H523 PolarHBondContact OG-NE2 3.29Å; H523-Y525 AromaticContact CE1-CD2 3.8Å; H523-Y525 AromaticContact NE2-CD2 3.94Å; H523-Y525 PolarHBondContact O-N 3.26Å
524	S	91.3	Very high	90.5	Very high	65 Å²	65	54.6 Å²	54.6	46%	0.455	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.2	-178.9	-166.4	0	0	0	0	111.2	N324	N324-S524 VanDerWaalsContact O-CA 3.32Å; N324-S524 WeakPolarHBondContact O-CA 3.43Å
525	Y	92.9	Very high	90.4	Very high	17 Å²	17	54.5 Å²	54.5	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.5	-176.4	-161.7	-91.2	0	0	0	112.7	Y323 N324 H327 Q362 M498 H523 Y527 P534 V535	Y323-Y525 WeakPolarHBondContact CA-O 3.36Å; N324-Y525 PolarHBondContact N-O 2.88Å; N324-Y525 PolarHBondContact O-N 2.96Å; H327-Y525 VanDerWaalsContact CD2-CB 3.43Å; H327-Y525 WeakPolarHBondContact CD2-CB 3.32Å; H327-Y525 AromaticContact CD2-CD2 3.96Å; H327-Y525 AromaticContact CD2-CG 3.64Å; H327-Y525 VanDerWaalsContact CG-CB 3.44Å; H327-Y525 AromaticContact CG-CG 3.96Å; H327-Y525 AromaticContact NE2-CG 3.91Å; Q362-Y525 PolarHBondContact NE2-OH 3.43Å; M498-Y525 HydrophobicContact CE-CE1 3.8Å; M498-Y525 HydrophobicContact CE-CE2 4.44Å; H523-Y525 AromaticContact CE1-CD2 3.8Å; H523-Y525 AromaticContact NE2-CD2 3.94Å; H523-Y525 PolarHBondContact O-N 3.26Å; Y525-Y527 HydrophobicContact CD1-CD2 4.13Å; Y525-Y527 HydrophobicContact CD1-CE2 4.04Å; Y525-P534 HydrophobicContact CD1-CB 4.27Å; Y525-P534 HydrophobicContact CE1-CB 3.94Å; Y525-V535 WeakPolarHBondContact CE1-O 3.26Å; Y525-V535 PolarHBondContact OH-O 3.4Å
526	L	91.7	Very high	90.2	Very high	28 Å²	28	52.8 Å²	52.8	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.2	-178.7	-66.8	173.8	0	0	0	111.8	F307 L321 Y323 V535	F307-L526 HydrophobicContact CD1-CD1 3.79Å; F307-L526 HydrophobicContact CE1-CD1 3.43Å; F307-L526 VanDerWaalsContact CE1-CD1 3.43Å; F307-L526 HydrophobicContact CZ-CD1 4.34Å; L321-L526 HydrophobicContact CB-CD2 4.2Å; L321-L526 HydrophobicContact CD1-CD1 4.29Å; L321-L526 HydrophobicContact CD1-CD2 3.95Å; Y323-L526 HydrophobicContact CD1-CD2 3.93Å; Y323-L526 HydrophobicContact CD2-CD2 4.45Å; Y323-L526 HydrophobicContact CE1-CD2 3.4Å; Y323-L526 VanDerWaalsContact CE1-CD2 3.4Å; Y323-L526 HydrophobicContact CE1-CG 4.28Å; Y323-L526 HydrophobicContact CE2-CD2 3.99Å; Y323-L526 HydrophobicContact CG-CD2 4.43Å; Y323-L526 VanDerWaalsContact CZ-CD2 3.44Å; L526-V535 HydrophobicContact CB-CB 4.24Å; L526-V535 PolarHBondContact O-N 3.19Å
527	Y	92.2	Very high	90.1	Very high	37 Å²	37	52.9 Å²	52.9	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	148.7	179.5	-85.9	-126.6	0	0	0	110	E322 N324 H327 Y525 W529 K532 Q533 P534	E322-Y527 PolarHBondContact N-O 2.71Å; E322-Y527 PolarHBondContact O-N 3.25Å; N324-Y527 HydrophobicContact CB-CD1 4.3Å; N324-Y527 HydrophobicContact CB-CD2 3.62Å; N324-Y527 HydrophobicContact CB-CE1 4.39Å; N324-Y527 HydrophobicContact CB-CE2 3.71Å; N324-Y527 HydrophobicContact CB-CG 3.97Å; N324-Y527 PolarHBondContact ND2-OH 3.28Å; H327-Y527 HydrophobicContact CB-CE2 4.03Å; H327-Y527 AromaticContact CG-CE2 3.95Å; H327-Y527 AromaticContact ND1-CE2 3.5Å; H327-Y527 WeakPolarHBondContact ND1-CE2 3.4Å; H327-Y527 AromaticContact ND1-CZ 3.67Å; H327-Y527 PolarHBondContact ND1-OH 3.44Å; Y525-Y527 HydrophobicContact CD1-CD2 4.13Å; Y525-Y527 HydrophobicContact CD1-CE2 4.04Å; Y527-W529 PolarHBondContact O-N 3.42Å; Y527-K532 VanDerWaalsContact CD1-C 3.47Å; Y527-K532 WeakPolarHBondContact CD1-O 3.42Å; Y527-K532 VanDerWaalsContact CE1-O 3.26Å; Y527-K532 WeakPolarHBondContact CE1-O 3.49Å; Y527-Q533 CarbonylContact C-O 3.56Å; Y527-Q533 VanDerWaalsContact CA-O 3.29Å; Y527-Q533 WeakPolarHBondContact CA-O 3.38Å; Y527-P534 HydrophobicContact CE1-CG 4.35Å; Y527-P534 HydrophobicContact CE2-CB 4.44Å; Y527-P534 HydrophobicContact CE2-CG 4.1Å
528	D	86.4	Confident	89.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	119.9	168.9	177	-44.4	0	0	0	108.6	S309 S312 L316 R530 T531 K532 Q533 V535	S309-D528 WeakPolarHBondContact CB-OD2 3.47Å; S309-D528 PolarHBondContact OG-OD2 2.88Å; S312-D528 WeakPolarHBondContact CB-OD2 3.37Å; S312-D528 PolarHBondContact OG-OD2 2.84Å; L316-D528 HydrophobicContact CD1-CB 4.29Å; D528-R530 PolarHBondContact O-N 3.42Å; D528-R530 WeakPolarHBondContact OD1-CA 3.25Å; D528-R530 WeakPolarHBondContact OD1-CB 3.33Å; D528-R530 PolarHBondContact OD1-N 2.77Å; D528-T531 VanDerWaalsContact CB-OG1 3.29Å; D528-T531 WeakPolarHBondContact CB-OG1 3.33Å; D528-T531 VanDerWaalsContact CG-OG1 3.29Å; D528-T531 PolarHBondContact OD1-N 3.03Å; D528-K532 WeakPolarHBondContact O-CA 3.42Å; D528-K532 PolarHBondContact O-N 3.29Å; D528-Q533 PolarHBondContact N-O 2.81Å; D528-V535 HydrophobicContact CB-CG2 4.19Å
529	W	73.3	Confident	89.6	Confident	73 Å²	73	48.4 Å²	48.4	28%	0.277	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.6	-175.7	73.9	-46.4	0	0	0	114.9	P224 E320 E322 Y527 K532	P224-W529 HydrophobicContact CG-CH2 4.18Å; P224-W529 HydrophobicContact CG-CZ2 3.8Å; E320-W529 HydrophobicContact CG-CZ2 4.34Å; E320-W529 WeakPolarHBondContact O-CB 3.41Å; E320-W529 VanDerWaalsContact O-CG 3.3Å; E320-W529 PolarHBondContact O-N 3.39Å; E322-W529 HydrophobicContact CB-CB 4.32Å; Y527-W529 PolarHBondContact O-N 3.42Å; W529-K532 PolarHBondContact O-NZ 2.89Å
530	R	73.4	Confident	89.2	Confident	85 Å²	85	46.7 Å²	46.7	32%	0.321	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-55.9	177.9	-58.9	-60.4	170.2	168.3	-5.7	112.4	L227 D528 K532	L227-R530 HydrophobicContact CD1-CB 3.68Å; L227-R530 HydrophobicContact CD1-CG 3.87Å; D528-R530 PolarHBondContact O-N 3.42Å; D528-R530 WeakPolarHBondContact OD1-CA 3.25Å; D528-R530 WeakPolarHBondContact OD1-CB 3.33Å; D528-R530 PolarHBondContact OD1-N 2.77Å; R530-K532 VanDerWaalsContact C-N 3.28Å; R530-K532 PolarHBondContact O-N 3.36Å
531	T	82.4	Confident	88.9	Confident	43 Å²	43	44.5 Å²	44.5	26%	0.264	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-16.2	-175.6	68.7	0	0	0	0	113.4	S311 S312 D528 Q533	S311-T531 WeakPolarHBondContact OG-CB 3.22Å; S311-T531 WeakPolarHBondContact OG-CG2 3.48Å; S311-T531 PolarHBondContact OG-OG1 2.58Å; S312-T531 VanDerWaalsContact OG-CG2 3.29Å; S312-T531 WeakPolarHBondContact OG-CG2 3.48Å; D528-T531 VanDerWaalsContact CB-OG1 3.29Å; D528-T531 WeakPolarHBondContact CB-OG1 3.33Å; D528-T531 VanDerWaalsContact CG-OG1 3.29Å; D528-T531 PolarHBondContact OD1-N 3.03Å; T531-Q533 PolarHBondContact O-N 2.98Å; T531-Q533 PolarHBondContact O-NE2 2.9Å; T531-Q533 PolarHBondContact OG1-N 3.49Å
532	K	84.8	Confident	88.8	Confident	100 Å²	100	43.5 Å²	43.5	44%	0.435	21%	0.213	S	C	.	.			trans	55.4	32.6	-173.2	-46.5	-53.3	-172.1	-175.8	0	112.6	E322 Y527 D528 W529 R530	E322-K532 IonicContact OE2-NZ 2.74Å; E322-K532 PolarHBondContact OE2-NZ 3.39Å; Y527-K532 VanDerWaalsContact CD1-C 3.47Å; Y527-K532 WeakPolarHBondContact CD1-O 3.42Å; Y527-K532 VanDerWaalsContact CE1-O 3.26Å; Y527-K532 WeakPolarHBondContact CE1-O 3.49Å; D528-K532 WeakPolarHBondContact O-CA 3.42Å; D528-K532 PolarHBondContact O-N 3.29Å; W529-K532 PolarHBondContact O-NZ 2.89Å; R530-K532 VanDerWaalsContact C-N 3.28Å; R530-K532 PolarHBondContact O-N 3.36Å
533	Q	91.6	Very high	88.9	Confident	100 Å²	100	39 Å²	39	47%	0.467	19%	0.186	S	C	.	.			trans	-104.2	154.7	171.8	-58.9	-51	-48	0	0	111.4	Y527 D528 T531	Y527-Q533 CarbonylContact C-O 3.56Å; Y527-Q533 VanDerWaalsContact CA-O 3.29Å; Y527-Q533 WeakPolarHBondContact CA-O 3.38Å; D528-Q533 PolarHBondContact N-O 2.81Å; T531-Q533 PolarHBondContact O-N 2.98Å; T531-Q533 PolarHBondContact O-NE2 2.9Å; T531-Q533 PolarHBondContact OG1-N 3.49Å
534	P	92.3	Very high	89	Confident	31 Å²	31	36.9 Å²	36.9	20%	0.201	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-57.5	144.1	175.2	-25.1	34.9	0	0	0	113.6	M498 Y525 Y527	M498-P534 HydrophobicContact CE-CB 3.77Å; M498-P534 HydrophobicContact CE-CG 4.4Å; M498-P534 HydrophobicContact SD-CB 3.57Å; M498-P534 VanDerWaalsContact SD-CB 3.57Å; M498-P534 HydrophobicContact SD-CG 4.45Å; Y525-P534 HydrophobicContact CD1-CB 4.27Å; Y525-P534 HydrophobicContact CE1-CB 3.94Å; Y527-P534 HydrophobicContact CE1-CG 4.35Å; Y527-P534 HydrophobicContact CE2-CB 4.44Å; Y527-P534 HydrophobicContact CE2-CG 4.1Å
535	V	93.6	Very high	89.1	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.012	15%	0.154	C	C	.	.			trans	-97.8	143.4	173.6	163.1	0	0	0	0	110.1	F307 W308 L316 L321 Y525 L526 D528	F307-V535 HydrophobicContact CB-CG1 3.92Å; F307-V535 HydrophobicContact CD1-CG1 4.29Å; W308-V535 WeakPolarHBondContact O-CG1 3.34Å; L316-V535 HydrophobicContact CD1-CG2 3.97Å; L321-V535 HydrophobicContact CD2-CB 4.42Å; L321-V535 HydrophobicContact CD2-CG1 4.12Å; L321-V535 HydrophobicContact CD2-CG2 3.94Å; Y525-V535 WeakPolarHBondContact CE1-O 3.26Å; Y525-V535 PolarHBondContact OH-O 3.4Å; L526-V535 HydrophobicContact CB-CB 4.24Å; L526-V535 PolarHBondContact O-N 3.19Å; D528-V535 HydrophobicContact CB-CG2 4.19Å
536	V	94.1	Very high	89.1	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.9	171	-61	0	0	0	0	109.9	W308 P310 W364 V497 M498	W308-V536 HydrophobicContact CB-CG2 4.2Å; W308-V536 PolarHBondContact N-O 3.29Å; W308-V536 PolarHBondContact O-N 2.97Å; P310-V536 HydrophobicContact CG-CG2 3.95Å; W364-V536 HydrophobicContact CZ2-CG1 4.33Å; V497-V536 HydrophobicContact CG2-CG1 4.21Å; M498-V536 HydrophobicContact CG-CG1 4.16Å; M498-V536 HydrophobicContact SD-CG1 3.86Å
537	I	92.9	Very high	89	Confident	26 Å²	26	34.5 Å²	34.5	13%	0.133	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.2	167.8	-64.3	175.3	0	0	0	107.1	P305 I306 F307 H459	P305-I537 HydrophobicContact CB-CG2 3.52Å; I306-I537 WeakPolarHBondContact O-CA 3.47Å; F307-I537 HydrophobicContact CD1-CD1 4.31Å; F307-I537 HydrophobicContact CD1-CG1 3.89Å; F307-I537 HydrophobicContact CE1-CD1 3.91Å; F307-I537 HydrophobicContact CE1-CG1 4.03Å; H459-I537 PolarHBondContact ND1-O 3.1Å; H459-I537 WeakPolarHBondContact O-CB 3.33Å
538	R	91.6	Very high	88.8	Confident	21 Å²	21	35.2 Å²	35.2	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148	171	61.6	178.5	-78.1	-99.3	6.6	110.3	P305 I306 W308 A458 V478 D479 E480	P305-R538 WeakPolarHBondContact CA-O 3.33Å; I306-R538 WeakPolarHBondContact CD1-O 3.27Å; I306-R538 PolarHBondContact N-O 2.98Å; I306-R538 PolarHBondContact O-N 3.4Å; W308-R538 HydrophobicContact CB-CG 3.76Å; W308-R538 HydrophobicContact CG-CG 4.01Å; A458-R538 WeakPolarHBondContact O-CA 3.43Å; V478-R538 PolarHBondContact O-NE 3.31Å; D479-R538 WeakPolarHBondContact O-CD 3.3Å; D479-R538 PolarHBondContact O-NE 3.43Å; E480-R538 IonicContact OE1-CZ 2.65Å; E480-R538 VanDerWaalsContact OE1-CZ 3.28Å; E480-R538 IonicContact OE1-NH1 3.83Å; E480-R538 PolarHBondContact OE1-NH1 3.1Å; E480-R538 IonicContact OE1-NH2 3.15Å; E480-R538 PolarHBondContact OE1-NH2 3.45Å
539	P	89.3	Confident	88.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.7	171.5	33.2	-39.2	0	0	0	111.5	Y303 K304 A458 V474 C476	Y303-P539 HydrophobicContact CD1-CB 3.97Å; Y303-P539 HydrophobicContact CD1-CG 4.48Å; Y303-P539 HydrophobicContact CD2-CB 4.26Å; Y303-P539 HydrophobicContact CE1-CB 3.63Å; Y303-P539 HydrophobicContact CE1-CG 3.67Å; Y303-P539 HydrophobicContact CE2-CB 3.92Å; Y303-P539 HydrophobicContact CE2-CG 4.25Å; Y303-P539 HydrophobicContact CG-CB 4.29Å; Y303-P539 WeakPolarHBondContact OH-CG 3.35Å; K304-P539 VanDerWaalsContact O-CA 3.28Å; K304-P539 WeakPolarHBondContact O-CA 3.4Å; A458-P539 HydrophobicContact CB-CG 4.02Å; A458-P539 WeakPolarHBondContact O-CD 3.49Å; V474-P539 HydrophobicContact CG1-CG 4.42Å; C476-P539 HydrophobicContact CB-CG 3.6Å
540	S	86.6	Confident	89.9	Confident	16 Å²	16	34.4 Å²	34.4	11%	0.112	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.4	170.1	-179.5	0	0	0	0	109.2	K304 Q542	K304-S540 PolarHBondContact N-O 3.12Å; K304-S540 PolarHBondContact O-N 3.46Å; S540-Q542 PolarHBondContact O-N 3.29Å; S540-Q542 PolarHBondContact OG-NE2 2.78Å
541	K	88.4	Confident	90.8	Very high	118 Å²	118	32.7 Å²	32.7	51%	0.513	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	111.7	169.3	-79.4	-168.9	176	-173	0	106.9	D302 Y303	D302-K541 WeakPolarHBondContact O-CA 3.12Å; Y303-K541 HydrophobicContact CD2-CG 4.06Å
542	Q	91.7	Very high	91.3	Very high	4 Å²	4	36 Å²	36	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.5	-173.9	-67.1	-65.3	-65.5	0	0	110.9	Q301 D302 I306 S540 F544 S585	Q301-Q542 WeakPolarHBondContact CA-O 3.32Å; Q301-Q542 WeakPolarHBondContact CG-O 3.32Å; D302-Q542 PolarHBondContact N-O 2.85Å; D302-Q542 VanDerWaalsContact N-O 3.09Å; D302-Q542 PolarHBondContact O-N 3.22Å; I306-Q542 HydrophobicContact CG1-CG 4.32Å; S540-Q542 PolarHBondContact O-N 3.29Å; S540-Q542 PolarHBondContact OG-NE2 2.78Å; Q542-F544 HydrophobicContact CB-CD2 4.48Å; Q542-F544 HydrophobicContact CB-CE1 4.49Å; Q542-F544 HydrophobicContact CB-CE2 3.7Å; Q542-F544 HydrophobicContact CB-CZ 3.7Å; Q542-F544 WeakPolarHBondContact O-CD2 3.24Å; Q542-F544 VanDerWaalsContact O-CE2 3.26Å; Q542-F544 WeakPolarHBondContact O-CE2 3Å; Q542-S585 WeakPolarHBondContact CB-OG 3.35Å; Q542-S585 PolarHBondContact OE1-OG 2.88Å
543	W	94.6	Very high	91.8	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.019	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.6	175.6	-72.9	93.1	0	0	0	110.6	V299 Q301 I584 S585 I594 V596 Y598 P605 I607	V299-W543 HydrophobicContact CG1-CE3 3.81Å; V299-W543 HydrophobicContact CG1-CZ3 4.29Å; Q301-W543 HydrophobicContact CB-CD2 4.06Å; Q301-W543 HydrophobicContact CB-CE3 4.08Å; Q301-W543 HydrophobicContact CB-CH2 3.84Å; Q301-W543 HydrophobicContact CB-CZ2 3.83Å; Q301-W543 HydrophobicContact CB-CZ3 3.99Å; Q301-W543 HydrophobicContact CG-CZ2 4.37Å; W543-I584 HydrophobicContact CB-CD1 4.49Å; W543-I584 HydrophobicContact CB-CG1 3.99Å; W543-I584 WeakPolarHBondContact O-CG1 3.28Å; W543-I584 PolarHBondContact O-N 3.32Å; W543-S585 PolarHBondContact N-OG 3.17Å; W543-I594 HydrophobicContact CB-CD1 4Å; W543-I594 HydrophobicContact CG-CD1 3.98Å; W543-V596 HydrophobicContact CZ2-CB 4.46Å; W543-V596 HydrophobicContact CZ2-CG2 3.97Å; W543-Y598 PolarHBondContact NE1-OH 3.34Å; W543-Y598 VanDerWaalsContact NE1-OH 3.12Å; W543-P605 HydrophobicContact CH2-CB 4.19Å; W543-P605 HydrophobicContact CH2-CG 4.34Å; W543-P605 HydrophobicContact CZ2-CB 3.89Å; W543-P605 HydrophobicContact CZ2-CG 4.35Å; W543-I607 HydrophobicContact CH2-CG2 3.58Å; W543-I607 HydrophobicContact CZ2-CG2 4.22Å; W543-I607 HydrophobicContact CZ3-CG2 4.32Å
544	F	93.5	Very high	92	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.9	-173.2	-64.5	-80.4	0	0	0	112.6	V299 Y300 D302 K304 I306 Q542 Y581 W582 C583	V299-F544 VanDerWaalsContact CA-O 3.32Å; V299-F544 WeakPolarHBondContact CA-O 3.23Å; Y300-F544 HydrophobicContact CD1-CB 4.16Å; Y300-F544 VanDerWaalsContact CD1-O 3.31Å; Y300-F544 WeakPolarHBondContact CD1-O 3.47Å; Y300-F544 HydrophobicContact CE1-CB 3.61Å; Y300-F544 HydrophobicContact CE2-CB 4.17Å; Y300-F544 HydrophobicContact CE2-CD2 4.46Å; Y300-F544 PolarHBondContact N-O 3.01Å; Y300-F544 PolarHBondContact O-N 3.23Å; D302-F544 HydrophobicContact CB-CD2 3.88Å; D302-F544 HydrophobicContact CB-CE2 3.99Å; K304-F544 HydrophobicContact CB-CE1 4.48Å; K304-F544 HydrophobicContact CB-CE2 4.16Å; K304-F544 HydrophobicContact CB-CZ 3.73Å; K304-F544 HydrophobicContact CD-CE2 4.2Å; K304-F544 HydrophobicContact CD-CZ 4.2Å; K304-F544 HydrophobicContact CG-CE2 4.05Å; K304-F544 HydrophobicContact CG-CZ 4.07Å; I306-F544 HydrophobicContact CG2-CE1 4.11Å; I306-F544 HydrophobicContact CG2-CZ 4.04Å; Q542-F544 HydrophobicContact CB-CD2 4.48Å; Q542-F544 HydrophobicContact CB-CE1 4.49Å; Q542-F544 HydrophobicContact CB-CE2 3.7Å; Q542-F544 HydrophobicContact CB-CZ 3.7Å; Q542-F544 WeakPolarHBondContact O-CD2 3.24Å; Q542-F544 VanDerWaalsContact O-CE2 3.26Å; Q542-F544 WeakPolarHBondContact O-CE2 3Å; F544-Y581 AromaticContact CD1-CD2 3.57Å; F544-Y581 HydrophobicContact CD1-CD2 3.57Å; F544-Y581 HydrophobicContact CD1-CE2 4.17Å; F544-Y581 HydrophobicContact CD1-CG 4.35Å; F544-Y581 AromaticContact CE1-CD2 3.7Å; F544-Y581 HydrophobicContact CE1-CD2 3.7Å; F544-Y581 AromaticContact CE1-CE2 3.8Å; F544-Y581 HydrophobicContact CE1-CE2 3.8Å; F544-W582 CarbonylContact C-O 3.55Å; F544-W582 VanDerWaalsContact CA-O 3.24Å; F544-W582 WeakPolarHBondContact CA-O 3.42Å; F544-C583 HydrophobicContact CD1-CB 3.97Å; F544-C583 HydrophobicContact CE1-CB 3.72Å
545	I	94.3	Very high	92.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.3	162.5	-66.1	168.4	0	0	0	109.7	M293 L298 V299 T547 L550 Y581 W582 I584 F663	M293-I545 HydrophobicContact CE-CD1 3.73Å; M293-I545 HydrophobicContact CE-CG1 4.06Å; M293-I545 HydrophobicContact CE-CG2 3.8Å; L298-I545 CarbonylContact O-C 3.58Å; L298-I545 VanDerWaalsContact O-CA 3.32Å; L298-I545 WeakPolarHBondContact O-CA 3.06Å; V299-I545 HydrophobicContact CG2-CG1 4.05Å; I545-T547 VanDerWaalsContact C-N 3.34Å; I545-T547 HydrophobicContact CG2-CG2 4.13Å; I545-T547 PolarHBondContact O-N 2.98Å; I545-L550 HydrophobicContact CG2-CD1 4.16Å; I545-Y581 WeakPolarHBondContact O-CA 3.33Å; I545-W582 HydrophobicContact CB-CB 4.34Å; I545-W582 HydrophobicContact CB-CE3 4.47Å; I545-W582 HydrophobicContact CD1-CD2 4.24Å; I545-W582 HydrophobicContact CD1-CE3 3.69Å; I545-W582 HydrophobicContact CD1-CZ3 3.85Å; I545-W582 PolarHBondContact N-O 3.31Å; I545-W582 PolarHBondContact O-N 2.92Å; I545-W582 VanDerWaalsContact O-N 3.08Å; I545-I584 HydrophobicContact CD1-CD1 4.3Å; I545-I584 HydrophobicContact CD1-CG2 3.6Å; I545-I584 HydrophobicContact CG1-CD1 4.06Å; I545-I584 HydrophobicContact CG1-CG2 3.96Å; I545-F663 HydrophobicContact CD1-CD2 3.75Å; I545-F663 HydrophobicContact CD1-CE2 3.71Å
546	N	91.8	Very high	92.2	Very high	56 Å²	56	36.2 Å²	36.2	30%	0.299	19%	0.186	S	C	.	.			trans	-77.4	78.3	173.2	-174.6	-19.6	0	0	0	110.8	L298 Y300 A548 S549	L298-N546 PolarHBondContact O-N 3.42Å; Y300-N546 HydrophobicContact CD1-CB 4.4Å; Y300-N546 HydrophobicContact CE1-CB 3.92Å; N546-A548 VanDerWaalsContact C-N 3.29Å; N546-A548 PolarHBondContact O-N 2.8Å; N546-S549 PolarHBondContact O-N 2.93Å; N546-S549 PolarHBondContact O-OG 3.46Å; N546-S549 WeakPolarHBondContact OD1-CB 3.46Å; N546-S549 PolarHBondContact OD1-N 2.94Å; N546-S549 PolarHBondContact OD1-OG 3.45Å
547	T	89.9	Confident	92.2	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.025	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.2	-30	179.7	52.2	0	0	0	0	112.6	I545 S549 L550 K551 R579 T580 Y581 W582 L699	I545-T547 VanDerWaalsContact C-N 3.34Å; I545-T547 HydrophobicContact CG2-CG2 4.13Å; I545-T547 PolarHBondContact O-N 2.98Å; T547-S549 VanDerWaalsContact C-N 3.27Å; T547-S549 PolarHBondContact O-N 3.35Å; T547-L550 PolarHBondContact O-N 2.77Å; T547-K551 PolarHBondContact O-N 3.17Å; T547-R579 HydrophobicContact CG2-CG 4.5Å; T547-R579 PolarHBondContact OG1-O 3.26Å; T547-T580 PolarHBondContact OG1-O 3.49Å; T547-Y581 VanDerWaalsContact OG1-CA 3.27Å; T547-Y581 WeakPolarHBondContact OG1-CA 3.42Å; T547-Y581 PolarHBondContact OG1-N 3.31Å; T547-Y581 VanDerWaalsContact OG1-N 3.17Å; T547-W582 HydrophobicContact CG2-CB 3.91Å; T547-L699 HydrophobicContact CG2-CD1 3.9Å; T547-L699 HydrophobicContact CG2-CD2 4.44Å
548	A	87.2	Confident	92.3	Very high	52 Å²	52	35.4 Å²	35.4	43%	0.43	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-54.9	-40.6	173.4	0	0	0	0	0	112.8	N546 L550 K551 T580	N546-A548 VanDerWaalsContact C-N 3.29Å; N546-A548 PolarHBondContact O-N 2.8Å; A548-L550 VanDerWaalsContact C-N 3.26Å; A548-L550 PolarHBondContact O-N 2.82Å; A548-K551 WeakPolarHBondContact O-CB 3.38Å; A548-T580 PolarHBondContact N-O 2.9Å
549	S	90	Very high	92.4	Very high	53 Å²	53	41.5 Å²	41.5	37%	0.371	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-71	-15.7	176.7	73.3	0	0	0	0	115.1	L298 N546 T547	L298-S549 WeakPolarHBondContact CD2-OG 2.99Å; N546-S549 PolarHBondContact O-N 2.93Å; N546-S549 PolarHBondContact O-OG 3.46Å; N546-S549 WeakPolarHBondContact OD1-CB 3.46Å; N546-S549 PolarHBondContact OD1-N 2.94Å; N546-S549 PolarHBondContact OD1-OG 3.45Å; T547-S549 VanDerWaalsContact C-N 3.27Å; T547-S549 PolarHBondContact O-N 3.35Å
550	L	92.9	Very high	92.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-22.9	179.7	-64.8	172.4	0	0	0	112.8	M293 L298 I545 T547 A548 D552 K553 A554 L699 A703	M293-L550 HydrophobicContact CE-CD1 4.42Å; L298-L550 HydrophobicContact CD1-CD2 3.96Å; L298-L550 HydrophobicContact CD2-CD2 4.13Å; L298-L550 HydrophobicContact CD2-CG 4.3Å; I545-L550 HydrophobicContact CG2-CD1 4.16Å; T547-L550 PolarHBondContact O-N 2.77Å; A548-L550 VanDerWaalsContact C-N 3.26Å; A548-L550 PolarHBondContact O-N 2.82Å; L550-D552 PolarHBondContact O-N 2.77Å; L550-K553 PolarHBondContact O-N 2.93Å; L550-K553 VanDerWaalsContact O-N 3.17Å; L550-A554 PolarHBondContact O-N 2.84Å; L550-L699 HydrophobicContact CB-CD2 4.16Å; L550-L699 HydrophobicContact CD1-CD2 4.49Å; L550-A703 HydrophobicContact CD1-CB 3.91Å; L550-A703 HydrophobicContact CD2-CB 3.82Å
551	K	92.4	Very high	93.1	Very high	49 Å²	49	47 Å²	47	21%	0.213	24%	0.235	C	C	.	.	H	α-helix	trans	-43	-57	-172.8	177.5	170.8	167.2	166.5	0	114.1	T547 A548 A554 K555 L576 D577	T547-K551 PolarHBondContact O-N 3.17Å; A548-K551 WeakPolarHBondContact O-CB 3.38Å; K551-A554 WeakPolarHBondContact O-CB 3.17Å; K551-A554 PolarHBondContact O-N 2.94Å; K551-K555 WeakPolarHBondContact O-CG 3.2Å; K551-K555 PolarHBondContact O-N 3.11Å; K551-L576 WeakPolarHBondContact CD-O 3.43Å; K551-D577 WeakPolarHBondContact CE-OD1 3.21Å; K551-D577 PolarHBondContact NZ-O 2.88Å; K551-D577 IonicContact NZ-OD1 3.53Å; K551-D577 PolarHBondContact NZ-OD1 3.31Å
552	D	93.6	Very high	93.5	Very high	113 Å²	113	46.9 Å²	46.9	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-72.4	-34.4	-174.1	-61.3	-36.9	0	0	0	112.8	L550 A554 K555 E556	L550-D552 PolarHBondContact O-N 2.77Å; D552-A554 VanDerWaalsContact C-N 3.34Å; D552-K555 PolarHBondContact O-N 3.07Å; D552-E556 PolarHBondContact O-N 2.83Å
553	K	95.1	Very high	93.8	Very high	103 Å²	103	46.8 Å²	46.8	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-37.5	171.9	-65.1	174.1	174.2	180	0	111.7	L550 E556 A557 V702	L550-K553 PolarHBondContact O-N 2.93Å; L550-K553 VanDerWaalsContact O-N 3.17Å; K553-E556 PolarHBondContact O-N 3.37Å; K553-A557 VanDerWaalsContact O-CB 3.3Å; K553-A557 WeakPolarHBondContact O-CB 3.46Å; K553-A557 PolarHBondContact O-N 2.99Å; K553-V702 HydrophobicContact CB-CG1 3.56Å
554	A	95.4	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.5	-39.7	175	0	0	0	0	0	111.5	L550 K551 D552 A557 L558 L576 L698 L699	L550-A554 PolarHBondContact O-N 2.84Å; K551-A554 WeakPolarHBondContact O-CB 3.17Å; K551-A554 PolarHBondContact O-N 2.94Å; D552-A554 VanDerWaalsContact C-N 3.34Å; A554-A557 PolarHBondContact O-N 3.17Å; A554-L558 VanDerWaalsContact O-CB 3.29Å; A554-L558 WeakPolarHBondContact O-CB 3.25Å; A554-L558 PolarHBondContact O-N 3.01Å; A554-L576 HydrophobicContact CB-CD1 4.2Å; A554-L576 HydrophobicContact CB-CD2 4.24Å; A554-L698 HydrophobicContact CB-CD2 4.12Å; A554-L698 HydrophobicContact CB-CG 4.2Å; A554-L699 HydrophobicContact CB-CD2 4.44Å
555	K	95.3	Very high	93.7	Very high	42 Å²	42	49.3 Å²	49.3	18%	0.183	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-47.4	171.7	-69.2	-178.6	174.9	-174	0	112.1	K551 D552 A557 L558 Q559 L573 D577	K551-K555 WeakPolarHBondContact O-CG 3.2Å; K551-K555 PolarHBondContact O-N 3.11Å; D552-K555 PolarHBondContact O-N 3.07Å; K555-A557 VanDerWaalsContact C-N 3.34Å; K555-A557 PolarHBondContact O-N 3.29Å; K555-L558 PolarHBondContact O-N 3.35Å; K555-Q559 WeakPolarHBondContact O-CG 3.46Å; K555-Q559 PolarHBondContact O-N 3.32Å; K555-L573 HydrophobicContact CB-CD2 4.31Å; K555-L573 HydrophobicContact CD-CD2 4.38Å; K555-L573 HydrophobicContact CG-CD2 3.8Å; K555-D577 VanDerWaalsContact CE-OD2 3.29Å; K555-D577 WeakPolarHBondContact CE-OD2 3.42Å; K555-D577 IonicContact NZ-OD1 3.8Å; K555-D577 PolarHBondContact NZ-OD1 2.8Å; K555-D577 IonicContact NZ-OD2 2.93Å; K555-D577 PolarHBondContact NZ-OD2 3.43Å
556	E	95.6	Very high	93.7	Very high	92 Å²	92	54.4 Å²	54.4	43%	0.43	27%	0.271	S	S	.	.	H	α-helix	trans	-63.6	-37.6	178	-162.5	-141	137.3	0	0	112.4	D552 K553 K560	D552-E556 PolarHBondContact O-N 2.83Å; K553-E556 PolarHBondContact O-N 3.37Å; E556-K560 IonicContact OE1-NZ 2.62Å; E556-K560 PolarHBondContact OE1-NZ 3.21Å
557	A	94.9	Very high	93.6	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-42	173	0	0	0	0	0	111.8	K553 A554 K555 Q559 K560 L698 V702 A708	K553-A557 VanDerWaalsContact O-CB 3.3Å; K553-A557 WeakPolarHBondContact O-CB 3.46Å; K553-A557 PolarHBondContact O-N 2.99Å; A554-A557 PolarHBondContact O-N 3.17Å; K555-A557 VanDerWaalsContact C-N 3.34Å; K555-A557 PolarHBondContact O-N 3.29Å; A557-Q559 VanDerWaalsContact C-N 3.34Å; A557-Q559 PolarHBondContact O-N 2.79Å; A557-K560 PolarHBondContact O-N 3.38Å; A557-K560 VanDerWaalsContact O-N 3.11Å; A557-L698 HydrophobicContact CB-CD1 4.3Å; A557-V702 HydrophobicContact CB-CG2 3.82Å; A557-A708 HydrophobicContact CB-CB 4.3Å
558	L	94.7	Very high	93.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-29.5	-179.5	-172.6	64.9	0	0	0	112.9	A554 K555 K560 V561 V563 R569 L572 L573 L698 L713	A554-L558 VanDerWaalsContact O-CB 3.29Å; A554-L558 WeakPolarHBondContact O-CB 3.25Å; A554-L558 PolarHBondContact O-N 3.01Å; K555-L558 PolarHBondContact O-N 3.35Å; L558-K560 PolarHBondContact O-N 3.1Å; L558-K560 VanDerWaalsContact O-N 3.16Å; L558-V561 HydrophobicContact CD1-CB 4.3Å; L558-V561 WeakPolarHBondContact O-CB 3.08Å; L558-V561 PolarHBondContact O-N 3.33Å; L558-V561 VanDerWaalsContact O-N 3.16Å; L558-V563 HydrophobicContact CD1-CG2 4.49Å; L558-R569 HydrophobicContact CD2-CG 4.44Å; L558-R569 PolarHBondContact O-NH1 3.12Å; L558-L572 HydrophobicContact CD1-CD1 4.17Å; L558-L572 HydrophobicContact CD2-CB 3.83Å; L558-L572 HydrophobicContact CD2-CD1 4.25Å; L558-L573 HydrophobicContact CD2-CD2 4.03Å; L558-L573 HydrophobicContact CD2-CG 4.3Å; L558-L698 HydrophobicContact CB-CD2 4.5Å; L558-L713 HydrophobicContact CD1-CD1 4.49Å
559	Q	93.3	Very high	94.1	Very high	148 Å²	148	56 Å²	56	69%	0.692	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.4	170.9	-72.8	173.1	-3.5	0	0	112.8	K555 A557 V561	K555-Q559 WeakPolarHBondContact O-CG 3.46Å; K555-Q559 PolarHBondContact O-N 3.32Å; A557-Q559 VanDerWaalsContact C-N 3.34Å; A557-Q559 PolarHBondContact O-N 2.79Å; Q559-V561 VanDerWaalsContact C-N 3.31Å; Q559-V561 PolarHBondContact O-N 3.2Å
560	K	93.9	Very high	94.2	Very high	128 Å²	128	55.3 Å²	55.3	56%	0.557	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	24	-177.9	-57.1	164.6	-166.2	172.4	0	112.4	E556 A557 L558 R679	E556-K560 IonicContact OE1-NZ 2.62Å; E556-K560 PolarHBondContact OE1-NZ 3.21Å; A557-K560 PolarHBondContact O-N 3.38Å; A557-K560 VanDerWaalsContact O-N 3.11Å; L558-K560 PolarHBondContact O-N 3.1Å; L558-K560 VanDerWaalsContact O-N 3.16Å; K560-R679 PolarHBondContact O-NH2 3.15Å
561	V	96.6	Very high	94.1	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.024	30%	0.295	C	S	.	.	S	Bend	trans	-127.3	129.4	-179.6	176	0	0	0	0	109.7	L558 Q559 V563 R569 A708 Y710 K711 L713	L558-V561 HydrophobicContact CD1-CB 4.3Å; L558-V561 WeakPolarHBondContact O-CB 3.08Å; L558-V561 PolarHBondContact O-N 3.33Å; L558-V561 VanDerWaalsContact O-N 3.16Å; Q559-V561 VanDerWaalsContact C-N 3.31Å; Q559-V561 PolarHBondContact O-N 3.2Å; V561-V563 HydrophobicContact CG1-CG2 4.26Å; V561-R569 PolarHBondContact O-NH1 2.92Å; V561-R569 VanDerWaalsContact O-NH1 3.09Å; V561-R569 PolarHBondContact O-NH2 2.87Å; V561-A708 HydrophobicContact CG2-CB 3.87Å; V561-Y710 HydrophobicContact CB-CD2 4.44Å; V561-Y710 HydrophobicContact CB-CE2 4.44Å; V561-Y710 HydrophobicContact CG1-CD2 3.68Å; V561-Y710 HydrophobicContact CG1-CE2 3.83Å; V561-Y710 HydrophobicContact CG2-CD2 3.86Å; V561-Y710 HydrophobicContact CG2-CE2 3.9Å; V561-K711 WeakPolarHBondContact CA-O 3.22Å; V561-L713 HydrophobicContact CG1-CG 4.09Å
562	R	96.9	Very high	94	Very high	115 Å²	115	55.4 Å²	55.4	43%	0.434	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	125.8	168.8	-177.8	-176.1	-175.4	-164.7	1.3	108.5	L564 K711 A712 L713	R562-L564 HydrophobicContact CG-CD2 4.44Å; R562-L564 HydrophobicContact CG-CG 4.38Å; R562-K711 PolarHBondContact N-O 2.84Å; R562-A712 HydrophobicContact CB-CB 4.07Å; R562-A712 CarbonylContact O-C 3.59Å; R562-A712 VanDerWaalsContact O-CA 3.23Å; R562-A712 WeakPolarHBondContact O-CA 3.29Å; R562-L713 PolarHBondContact O-N 3Å
563	V	96.9	Very high	93.9	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.9	178	-175.9	0	0	0	0	108.6	L558 V561 P565 E566 A568	L558-V563 HydrophobicContact CD1-CG2 4.49Å; V561-V563 HydrophobicContact CG1-CG2 4.26Å; V563-P565 CarbonylContact O-C 3.54Å; V563-E566 WeakPolarHBondContact O-CA 3.38Å; V563-E566 PolarHBondContact O-N 3.36Å; V563-A568 HydrophobicContact CG1-CB 3.96Å
564	L	94.6	Very high	93.6	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.8	179.7	-62.7	178.5	0	0	0	109.3	R562 L713 V714 V715 F767 F838	R562-L564 HydrophobicContact CG-CD2 4.44Å; R562-L564 HydrophobicContact CG-CG 4.38Å; L564-L713 PolarHBondContact N-O 3.38Å; L564-V714 HydrophobicContact CB-CG1 4.43Å; L564-V714 HydrophobicContact CD1-CG2 4.3Å; L564-V714 CarbonylContact O-C 3.17Å; L564-V714 WeakPolarHBondContact O-CA 3.43Å; L564-V715 PolarHBondContact O-N 2.92Å; L564-F767 HydrophobicContact CB-CE1 4.04Å; L564-F767 HydrophobicContact CB-CZ 4.16Å; L564-F838 HydrophobicContact CD1-CB 4.46Å; L564-F838 HydrophobicContact CD1-CD2 3.94Å; L564-F838 HydrophobicContact CD1-CG 4.48Å
565	P	92.9	Very high	93	Very high	32 Å²	32	54.5 Å²	54.5	21%	0.208	29%	0.286	C	S	.	.	S	Bend	cis	-73	151.3	-6.6	34.7	-34.5	0	0	0	110.8	V563 S567 A568 F767	V563-P565 CarbonylContact O-C 3.54Å; P565-S567 WeakPolarHBondContact CG-OG 3.34Å; P565-S567 PolarHBondContact O-N 3.46Å; P565-S567 VanDerWaalsContact O-N 3.07Å; P565-A568 WeakPolarHBondContact O-CB 3.37Å; P565-A568 PolarHBondContact O-N 3.44Å; P565-F767 HydrophobicContact CB-CB 4.38Å; P565-F767 HydrophobicContact CB-CG 4.36Å; P565-F767 HydrophobicContact CG-CB 4.16Å; P565-F767 HydrophobicContact CG-CD1 4.37Å; P565-F767 HydrophobicContact CG-CG 4.41Å
566	E	92.8	Very high	92.6	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.8	-177.9	179.3	59.6	-159.9	0	0	112.7	V563 A568 R569	V563-E566 WeakPolarHBondContact O-CA 3.38Å; V563-E566 PolarHBondContact O-N 3.36Å; E566-A568 PolarHBondContact O-N 2.95Å; E566-R569 VanDerWaalsContact O-CB 3.27Å; E566-R569 WeakPolarHBondContact O-CB 3.49Å; E566-R569 PolarHBondContact O-N 2.83Å; E566-R569 VanDerWaalsContact O-N 3.09Å; E566-R569 IonicContact OE1-CZ 2.74Å; E566-R569 IonicContact OE1-NE 2.88Å; E566-R569 PolarHBondContact OE1-NE 3.44Å; E566-R569 IonicContact OE1-NH2 2.72Å; E566-R569 PolarHBondContact OE1-NH2 2.97Å; E566-R569 IonicContact OE2-CZ 2.7Å; E566-R569 IonicContact OE2-NE 3.82Å; E566-R569 PolarHBondContact OE2-NE 2.93Å; E566-R569 IonicContact OE2-NH2 3.88Å; E566-R569 PolarHBondContact OE2-NH2 3.25Å
567	S	90.9	Very high	92.1	Very high	95 Å²	95	51.8 Å²	51.8	66%	0.664	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29	172.7	52.3	0	0	0	0	113.9	P565 R569 G570	P565-S567 WeakPolarHBondContact CG-OG 3.34Å; P565-S567 PolarHBondContact O-N 3.46Å; P565-S567 VanDerWaalsContact O-N 3.07Å; S567-R569 PolarHBondContact O-N 2.88Å; S567-G570 PolarHBondContact O-N 2.91Å
568	A	93.4	Very high	91.3	Very high	8 Å²	8	60.8 Å²	60.8	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-19.6	177.7	0	0	0	0	0	113.1	V563 P565 E566 G570 S571 L572 L690 V715	V563-A568 HydrophobicContact CG1-CB 3.96Å; P565-A568 WeakPolarHBondContact O-CB 3.37Å; P565-A568 PolarHBondContact O-N 3.44Å; E566-A568 PolarHBondContact O-N 2.95Å; A568-G570 VanDerWaalsContact C-N 3.29Å; A568-G570 PolarHBondContact O-N 2.87Å; A568-S571 PolarHBondContact O-N 3.28Å; A568-L572 PolarHBondContact O-N 3.42Å; A568-L690 HydrophobicContact CB-CD2 4.15Å; A568-V715 HydrophobicContact CB-CB 4.31Å; A568-V715 HydrophobicContact CB-CG1 4.46Å; A568-V715 HydrophobicContact CB-CG2 4.05Å
569	R	94.3	Very high	90.6	Very high	42 Å²	42	63 Å²	63	16%	0.158	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-37.1	175.5	-168	-172.6	-57	-81.3	-3.2	112.1	L558 V561 E566 S567 S571 L572 L573	L558-R569 HydrophobicContact CD2-CG 4.44Å; L558-R569 PolarHBondContact O-NH1 3.12Å; V561-R569 PolarHBondContact O-NH1 2.92Å; V561-R569 VanDerWaalsContact O-NH1 3.09Å; V561-R569 PolarHBondContact O-NH2 2.87Å; E566-R569 VanDerWaalsContact O-CB 3.27Å; E566-R569 WeakPolarHBondContact O-CB 3.49Å; E566-R569 PolarHBondContact O-N 2.83Å; E566-R569 VanDerWaalsContact O-N 3.09Å; E566-R569 IonicContact OE1-CZ 2.74Å; E566-R569 IonicContact OE1-NE 2.88Å; E566-R569 PolarHBondContact OE1-NE 3.44Å; E566-R569 IonicContact OE1-NH2 2.72Å; E566-R569 PolarHBondContact OE1-NH2 2.97Å; E566-R569 IonicContact OE2-CZ 2.7Å; E566-R569 IonicContact OE2-NE 3.82Å; E566-R569 PolarHBondContact OE2-NE 2.93Å; E566-R569 IonicContact OE2-NH2 3.88Å; E566-R569 PolarHBondContact OE2-NH2 3.25Å; S567-R569 PolarHBondContact O-N 2.88Å; R569-S571 VanDerWaalsContact C-N 3.33Å; R569-S571 PolarHBondContact O-N 2.88Å; R569-L572 PolarHBondContact O-N 3.38Å; R569-L573 HydrophobicContact CG-CD1 4.04Å; R569-L573 HydrophobicContact CG-CG 4.36Å; R569-L573 WeakPolarHBondContact O-CG 3.29Å; R569-L573 PolarHBondContact O-N 2.86Å
570	G	91.6	Very high	89.7	Confident	39 Å²	39	60.1 Å²	60.1	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-42	178.9	0	0	0	0	0	112.4	S567 A568 T574	S567-G570 PolarHBondContact O-N 2.91Å; A568-G570 VanDerWaalsContact C-N 3.29Å; A568-G570 PolarHBondContact O-N 2.87Å; G570-T574 WeakPolarHBondContact O-CB 3.4Å; G570-T574 PolarHBondContact O-N 3.32Å; G570-T574 PolarHBondContact O-OG1 2.68Å
571	S	90.2	Very high	89.3	Confident	52 Å²	52	56.3 Å²	56.3	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-64.9	-47.6	176.1	-55.4	0	0	0	0	112	A568 R569 L573 T574 M575	A568-S571 PolarHBondContact O-N 3.28Å; R569-S571 VanDerWaalsContact C-N 3.33Å; R569-S571 PolarHBondContact O-N 2.88Å; S571-L573 VanDerWaalsContact C-N 3.35Å; S571-L573 PolarHBondContact O-N 2.62Å; S571-T574 PolarHBondContact O-N 3.25Å; S571-M575 VanDerWaalsContact O-CG 3.31Å; S571-M575 WeakPolarHBondContact O-CG 3.48Å; S571-M575 PolarHBondContact O-N 2.88Å
572	L	90.1	Very high	88.9	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-47	176.8	-74	166.9	0	0	0	112	L558 A568 R569 M575 L576 L690 F694 L713	L558-L572 HydrophobicContact CD1-CD1 4.17Å; L558-L572 HydrophobicContact CD2-CB 3.83Å; L558-L572 HydrophobicContact CD2-CD1 4.25Å; A568-L572 PolarHBondContact O-N 3.42Å; R569-L572 PolarHBondContact O-N 3.38Å; L572-M575 PolarHBondContact O-N 2.73Å; L572-L576 WeakPolarHBondContact O-CB 3.37Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 2.81Å; L572-L690 HydrophobicContact CD1-CD2 4.1Å; L572-L690 HydrophobicContact CD2-CB 4.2Å; L572-L690 HydrophobicContact CD2-CD2 3.88Å; L572-L690 WeakPolarHBondContact CD2-O 3.18Å; L572-L690 HydrophobicContact CG-CD2 3.75Å; L572-F694 HydrophobicContact CD2-CB 4.42Å; L572-L713 HydrophobicContact CD1-CD1 3.74Å
573	L	92	Very high	88.6	Confident	55 Å²	55	51.6 Å²	51.6	29%	0.288	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-43.9	177.6	-68.4	172.1	0	0	0	111.6	K555 L558 R569 S571 M575 L576 D577	K555-L573 HydrophobicContact CB-CD2 4.31Å; K555-L573 HydrophobicContact CD-CD2 4.38Å; K555-L573 HydrophobicContact CG-CD2 3.8Å; L558-L573 HydrophobicContact CD2-CD2 4.03Å; L558-L573 HydrophobicContact CD2-CG 4.3Å; R569-L573 HydrophobicContact CG-CD1 4.04Å; R569-L573 HydrophobicContact CG-CG 4.36Å; R569-L573 WeakPolarHBondContact O-CG 3.29Å; R569-L573 PolarHBondContact O-N 2.86Å; S571-L573 VanDerWaalsContact C-N 3.35Å; S571-L573 PolarHBondContact O-N 2.62Å; L573-M575 PolarHBondContact O-N 3.49Å; L573-L576 CarbonylContact O-C 3.59Å; L573-L576 PolarHBondContact O-N 2.84Å; L573-D577 WeakPolarHBondContact O-CB 3.3Å; L573-D577 PolarHBondContact O-N 2.79Å
574	T	88.4	Confident	88.4	Confident	67 Å²	67	51.5 Å²	51.5	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-39.1	179.2	-56.8	0	0	0	0	112.2	G570 S571 D577 R578	G570-T574 WeakPolarHBondContact O-CB 3.4Å; G570-T574 PolarHBondContact O-N 3.32Å; G570-T574 PolarHBondContact O-OG1 2.68Å; S571-T574 PolarHBondContact O-N 3.25Å; T574-D577 PolarHBondContact O-N 3.43Å; T574-R578 WeakPolarHBondContact O-CG 3.42Å; T574-R578 PolarHBondContact O-N 2.74Å
575	M	84.6	Confident	88.4	Confident	75 Å²	75	50.3 Å²	50.3	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-68.9	-43	176.1	-68.2	168.1	167.7	0	0	111.5	S571 L572 L573 D577 R578 R579 L690 Q695	S571-M575 VanDerWaalsContact O-CG 3.31Å; S571-M575 WeakPolarHBondContact O-CG 3.48Å; S571-M575 PolarHBondContact O-N 2.88Å; L572-M575 PolarHBondContact O-N 2.73Å; L573-M575 PolarHBondContact O-N 3.49Å; M575-D577 PolarHBondContact O-N 2.73Å; M575-R578 PolarHBondContact O-N 2.97Å; M575-R579 PolarHBondContact O-N 3.23Å; M575-L690 HydrophobicContact CE-CB 4.41Å; M575-L690 HydrophobicContact SD-CB 4.07Å; M575-Q695 VanDerWaalsContact CB-NE2 3.29Å
576	L	86.8	Confident	88.3	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-26.1	171.1	-72.9	172	0	0	0	112.8	K551 A554 L572 L573 Q695 L698 L699	K551-L576 WeakPolarHBondContact CD-O 3.43Å; A554-L576 HydrophobicContact CB-CD1 4.2Å; A554-L576 HydrophobicContact CB-CD2 4.24Å; L572-L576 WeakPolarHBondContact O-CB 3.37Å; L572-L576 WeakPolarHBondContact O-CG 3.35Å; L572-L576 PolarHBondContact O-N 2.81Å; L573-L576 CarbonylContact O-C 3.59Å; L573-L576 PolarHBondContact O-N 2.84Å; L576-Q695 HydrophobicContact CD2-CG 4.02Å; L576-L698 HydrophobicContact CD1-CD2 4.07Å; L576-L699 HydrophobicContact CD2-CD2 4.04Å; L576-L699 HydrophobicContact CD2-CG 4.44Å
577	D	84	Confident	88.2	Confident	70 Å²	70	46.8 Å²	46.8	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-74.2	-36.1	178	-96.1	-54.6	0	0	0	113.5	K551 K555 L573 T574 M575	K551-D577 WeakPolarHBondContact CE-OD1 3.21Å; K551-D577 PolarHBondContact NZ-O 2.88Å; K551-D577 IonicContact NZ-OD1 3.53Å; K551-D577 PolarHBondContact NZ-OD1 3.31Å; K555-D577 VanDerWaalsContact CE-OD2 3.29Å; K555-D577 WeakPolarHBondContact CE-OD2 3.42Å; K555-D577 IonicContact NZ-OD1 3.8Å; K555-D577 PolarHBondContact NZ-OD1 2.8Å; K555-D577 IonicContact NZ-OD2 2.93Å; K555-D577 PolarHBondContact NZ-OD2 3.43Å; L573-D577 WeakPolarHBondContact O-CB 3.3Å; L573-D577 PolarHBondContact O-N 2.79Å; T574-D577 PolarHBondContact O-N 3.43Å; M575-D577 PolarHBondContact O-N 2.73Å
578	R	78.6	Confident	88.1	Confident	200 Å²	200	43.7 Å²	43.7	76%	0.755	22%	0.223	S	C	*	.	H	α-helix	trans	-83.2	-36.3	-177.4	-66.9	176.6	-177.9	-169.3	-0.6	114	T574 M575 T580	T574-R578 WeakPolarHBondContact O-CG 3.42Å; T574-R578 PolarHBondContact O-N 2.74Å; M575-R578 PolarHBondContact O-N 2.97Å; R578-T580 PolarHBondContact O-N 2.93Å
579	R	78.8	Confident	88	Confident	47 Å²	47	44.2 Å²	44.2	18%	0.177	23%	0.226	C	C	.	.			trans	-74.5	94.1	-171.4	-166.2	173.9	-172	163.6	3.7	112.2	T547 M575 Y581 W582	T547-R579 HydrophobicContact CG2-CG 4.5Å; T547-R579 PolarHBondContact OG1-O 3.26Å; M575-R579 PolarHBondContact O-N 3.23Å; R579-Y581 WeakPolarHBondContact CG-O 3.44Å; R579-W582 VanDerWaalsContact NH2-CD2 3.33Å
580	T	75.1	Confident	88	Confident	88 Å²	88	42.2 Å²	42.2	54%	0.54	22%	0.218	S	C	.	.			trans	-75.1	-35	-179.1	50.6	0	0	0	0	113.6	T547 A548 R578	T547-T580 PolarHBondContact OG1-O 3.49Å; A548-T580 PolarHBondContact N-O 2.9Å; R578-T580 PolarHBondContact O-N 2.93Å
581	Y	85.5	Confident	88.2	Confident	47 Å²	47	40.4 Å²	40.4	18%	0.184	20%	0.2	C	C	.	.			trans	-145.8	174.4	172.6	54.7	-92.9	0	0	0	111.2	K304 F544 I545 T547 R579	K304-Y581 HydrophobicContact CD-CE1 4.38Å; F544-Y581 AromaticContact CD1-CD2 3.57Å; F544-Y581 HydrophobicContact CD1-CD2 3.57Å; F544-Y581 HydrophobicContact CD1-CE2 4.17Å; F544-Y581 HydrophobicContact CD1-CG 4.35Å; F544-Y581 AromaticContact CE1-CD2 3.7Å; F544-Y581 HydrophobicContact CE1-CD2 3.7Å; F544-Y581 AromaticContact CE1-CE2 3.8Å; F544-Y581 HydrophobicContact CE1-CE2 3.8Å; I545-Y581 WeakPolarHBondContact O-CA 3.33Å; T547-Y581 VanDerWaalsContact OG1-CA 3.27Å; T547-Y581 WeakPolarHBondContact OG1-CA 3.42Å; T547-Y581 PolarHBondContact OG1-N 3.31Å; T547-Y581 VanDerWaalsContact OG1-N 3.17Å; R579-Y581 WeakPolarHBondContact CG-O 3.44Å
582	W	89.6	Confident	88.5	Confident	6 Å²	6	38 Å²	38	2%	0.023	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.7	174.8	171.5	12.7	0	0	0	109.5	F544 I545 T547 R579 I584 D660 W662 F663 L699 T700	F544-W582 CarbonylContact C-O 3.55Å; F544-W582 VanDerWaalsContact CA-O 3.24Å; F544-W582 WeakPolarHBondContact CA-O 3.42Å; I545-W582 HydrophobicContact CB-CB 4.34Å; I545-W582 HydrophobicContact CB-CE3 4.47Å; I545-W582 HydrophobicContact CD1-CD2 4.24Å; I545-W582 HydrophobicContact CD1-CE3 3.69Å; I545-W582 HydrophobicContact CD1-CZ3 3.85Å; I545-W582 PolarHBondContact N-O 3.31Å; I545-W582 PolarHBondContact O-N 2.92Å; I545-W582 VanDerWaalsContact O-N 3.08Å; T547-W582 HydrophobicContact CG2-CB 3.91Å; R579-W582 VanDerWaalsContact NH2-CD2 3.33Å; W582-I584 HydrophobicContact CD2-CG2 3.87Å; W582-I584 HydrophobicContact CG-CG2 4.01Å; W582-I584 HydrophobicContact CZ2-CG2 4.15Å; W582-I584 PolarHBondContact O-N 3.25Å; W582-D660 PolarHBondContact NE1-OD2 3.45Å; W582-W662 HydrophobicContact CH2-CB 4.5Å; W582-W662 HydrophobicContact CZ2-CB 3.73Å; W582-F663 HydrophobicContact CH2-CB 4Å; W582-F663 AromaticContact CH2-CD2 3.86Å; W582-F663 HydrophobicContact CH2-CD2 3.86Å; W582-F663 HydrophobicContact CH2-CG 4.43Å; W582-F663 HydrophobicContact CZ2-CB 3.89Å; W582-F663 HydrophobicContact CZ2-CD2 4.41Å; W582-F663 HydrophobicContact CZ3-CD2 4.3Å; W582-L699 HydrophobicContact CE3-CD1 4.33Å; W582-T700 HydrophobicContact CZ3-CG2 4.46Å
583	C	90.1	Very high	88.9	Confident	15 Å²	15	37.8 Å²	37.8	10%	0.101	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.9	172.6	-172.1	0	0	0	0	110.5	I306 F544 R586	I306-C583 HydrophobicContact CG2-CB 4.45Å; F544-C583 HydrophobicContact CD1-CB 3.97Å; F544-C583 HydrophobicContact CE1-CB 3.72Å; C583-R586 PolarHBondContact O-NH1 2.97Å
584	I	92.9	Very high	89.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.			trans	-109.4	-4.8	-176	58	162.8	0	0	0	114.6	F290 V299 W543 I545 W582 L659 D660	F290-I584 HydrophobicContact CD2-CD1 4.25Å; F290-I584 HydrophobicContact CE2-CD1 3.8Å; V299-I584 HydrophobicContact CG1-CD1 4.12Å; V299-I584 HydrophobicContact CG2-CD1 4.38Å; W543-I584 HydrophobicContact CB-CD1 4.49Å; W543-I584 HydrophobicContact CB-CG1 3.99Å; W543-I584 WeakPolarHBondContact O-CG1 3.28Å; W543-I584 PolarHBondContact O-N 3.32Å; I545-I584 HydrophobicContact CD1-CD1 4.3Å; I545-I584 HydrophobicContact CD1-CG2 3.6Å; I545-I584 HydrophobicContact CG1-CD1 4.06Å; I545-I584 HydrophobicContact CG1-CG2 3.96Å; W582-I584 HydrophobicContact CD2-CG2 3.87Å; W582-I584 HydrophobicContact CG-CG2 4.01Å; W582-I584 HydrophobicContact CZ2-CG2 4.15Å; W582-I584 PolarHBondContact O-N 3.25Å; I584-L659 HydrophobicContact CD1-CD2 4.16Å; I584-L659 CarbonylContact O-C 3.57Å; I584-L659 VanDerWaalsContact O-CA 3.31Å; I584-L659 WeakPolarHBondContact O-CA 3.37Å; I584-D660 HydrophobicContact CB-CB 4.48Å; I584-D660 PolarHBondContact O-N 3.4Å
585	S	93.4	Very high	89.5	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	150.6	170.5	42.7	0	0	0	0	112	Q542 W543 V658	Q542-S585 WeakPolarHBondContact CB-OG 3.35Å; Q542-S585 PolarHBondContact OE1-OG 2.88Å; W543-S585 PolarHBondContact N-OG 3.17Å; S585-V658 CarbonylContact C-O 3.56Å; S585-V658 WeakPolarHBondContact CA-O 3.45Å
586	R	90.5	Very high	90.1	Very high	15 Å²	15	28.4 Å²	28.4	6%	0.057	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.2	169.8	-63.9	-63.4	-174.9	-67.5	-11.9	110	A315 A317 E320 C583 R588 D657 V658 D660	A315-R586 WeakPolarHBondContact O-CD 3.5Å; A317-R586 VanDerWaalsContact CB-NH2 3.32Å; E320-R586 IonicContact OE2-CZ 3.71Å; E320-R586 IonicContact OE2-NE 3.16Å; E320-R586 PolarHBondContact OE2-NE 2.92Å; E320-R586 VanDerWaalsContact OE2-NE 3.12Å; E320-R586 IonicContact OE2-NH2 3.4Å; E320-R586 PolarHBondContact OE2-NH2 3.28Å; C583-R586 PolarHBondContact O-NH1 2.97Å; R586-R588 VanDerWaalsContact C-N 3.26Å; R586-R588 HydrophobicContact CB-CG 4.44Å; R586-R588 PolarHBondContact O-N 3.29Å; R586-D657 WeakPolarHBondContact O-CA 3.45Å; R586-V658 HydrophobicContact CB-CG2 4.16Å; R586-V658 PolarHBondContact N-O 3.47Å; R586-V658 PolarHBondContact O-N 2.96Å; R586-D660 IonicContact CZ-OD2 3.96Å; R586-D660 IonicContact NH1-OD2 2.56Å; R586-D660 IonicContact NH2-OD1 2.83Å; R586-D660 PolarHBondContact NH2-OD1 2.93Å; R586-D660 IonicContact NH2-OD2 3.69Å; R586-D660 PolarHBondContact NH2-OD2 2.57Å
587	Q	90.6	Very high	90.6	Very high	51 Å²	51	28 Å²	28	24%	0.238	13%	0.129	C	C	.	.	S	Bend	trans	-88.7	59	-174.4	-67.2	65.8	58.8	0	0	110.4	W308 A315 D657	W308-Q587 HydrophobicContact CH2-CG 4.43Å; W308-Q587 HydrophobicContact CZ3-CG 4.49Å; A315-Q587 VanDerWaalsContact N-OE1 3.14Å; Q587-D657 PolarHBondContact NE2-OD1 3.36Å
588	R	89.3	Confident	91.2	Very high	30 Å²	30	26.6 Å²	26.6	11%	0.113	12%	0.119	C	C	.	.			trans	-135	158.8	-173.4	-57.1	-56.8	-71.3	-151.5	3.4	111.2	E226 S312 R586 V658	E226-R588 IonicContact OE1-CZ 3.85Å; E226-R588 VanDerWaalsContact OE1-CZ 3.28Å; E226-R588 IonicContact OE1-NE 2.7Å; E226-R588 PolarHBondContact OE1-NE 3.37Å; E226-R588 VanDerWaalsContact OE1-NE 3.16Å; E226-R588 IonicContact OE1-NH2 2.77Å; E226-R588 PolarHBondContact OE1-NH2 2.77Å; E226-R588 IonicContact OE2-NE 2.76Å; E226-R588 PolarHBondContact OE2-NE 2.77Å; S312-R588 PolarHBondContact O-NH1 3.24Å; R586-R588 VanDerWaalsContact C-N 3.26Å; R586-R588 HydrophobicContact CB-CG 4.44Å; R586-R588 PolarHBondContact O-N 3.29Å; R588-V658 HydrophobicContact CB-CG2 4.09Å; R588-V658 VanDerWaalsContact O-CG1 3.24Å; R588-V658 WeakPolarHBondContact O-CG1 3.38Å; R588-V658 WeakPolarHBondContact O-CG2 3.47Å
589	S	91.5	Very high	92.1	Very high	19 Å²	19	19.2 Å²	19.2	13%	0.133	9%	0.092	C	C	.	.	S	Bend	trans	-87.5	-30.8	176.5	-53.1	0	0	0	0	113	R244 G591	R244-S589 WeakPolarHBondContact CD-O 3.34Å; R244-S589 WeakPolarHBondContact CG-O 3.35Å; R244-S589 PolarHBondContact NH1-O 3.04Å; S589-G591 PolarHBondContact O-N 2.83Å
590	W	94.9	Very high	92.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-91.7	88.1	-175.4	-174.1	-122.2	0	0	0	113.1	C220 H221 G222 E226 R244 A247 R248 F278	C220-W590 VanDerWaalsContact O-CZ2 3.24Å; C220-W590 WeakPolarHBondContact O-CZ2 3.45Å; C220-W590 PolarHBondContact O-NE1 2.93Å; H221-W590 AromaticContact CD2-CE2 3.79Å; H221-W590 AromaticContact CD2-CZ2 3.83Å; G222-W590 VanDerWaalsContact CA-O 3.3Å; G222-W590 WeakPolarHBondContact CA-O 2.9Å; G222-W590 PolarHBondContact N-O 2.93Å; E226-W590 HydrophobicContact CB-CB 4.37Å; E226-W590 HydrophobicContact CG-CB 4Å; E226-W590 PolarHBondContact OE2-N 2.88Å; R244-W590 HydrophobicContact CB-CE3 3.8Å; R244-W590 HydrophobicContact CB-CZ3 4.19Å; R244-W590 HydrophobicContact CG-CE3 3.93Å; R244-W590 WeakPolarHBondContact O-CZ3 3.42Å; A247-W590 HydrophobicContact CB-CB 4.09Å; A247-W590 HydrophobicContact CB-CD2 3.41Å; A247-W590 VanDerWaalsContact CB-CD2 3.41Å; A247-W590 HydrophobicContact CB-CE3 4.05Å; A247-W590 HydrophobicContact CB-CG 3.43Å; A247-W590 VanDerWaalsContact CB-CG 3.43Å; A247-W590 HydrophobicContact CB-CZ2 4.26Å; R248-W590 HydrophobicContact CB-CH2 3.64Å; R248-W590 HydrophobicContact CB-CZ2 4.31Å; R248-W590 HydrophobicContact CB-CZ3 4.17Å; R248-W590 HydrophobicContact CG-CH2 4.16Å; F278-W590 HydrophobicContact CB-CH2 4.2Å; F278-W590 AromaticContact CD1-CH2 3.94Å; F278-W590 HydrophobicContact CD1-CH2 3.94Å; F278-W590 HydrophobicContact CD1-CZ2 4.08Å
591	G	95.4	Very high	93.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	175.9	-179.3	174.9	0	0	0	0	0	110.4	R244 S589 P593 V658	R244-G591 PolarHBondContact NH1-O 3.05Å; S589-G591 PolarHBondContact O-N 2.83Å; G591-P593 VanDerWaalsContact O-CD 3.31Å; G591-P593 WeakPolarHBondContact O-CD 3.42Å; G591-V658 WeakPolarHBondContact O-CG1 3.44Å
592	V	97.4	Very high	94	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-78.3	117.6	177.1	-176.3	0	0	0	0	109.9	H221 E283 Q286 L287 F619 V658 L659	H221-V592 VanDerWaalsContact CE1-CG2 3.4Å; H221-V592 WeakPolarHBondContact CE1-CG2 3.32Å; E283-V592 HydrophobicContact CB-CG1 4.29Å; E283-V592 HydrophobicContact CB-CG2 4.29Å; E283-V592 HydrophobicContact CG-CG2 3.76Å; Q286-V592 VanDerWaalsContact OE1-CG2 3.22Å; L287-V592 HydrophobicContact CD2-CG1 4.34Å; L287-V592 HydrophobicContact CG-CG1 4.43Å; V592-F619 HydrophobicContact CG1-CD2 4.16Å; V592-F619 HydrophobicContact CG1-CE2 3.85Å; V592-V658 CarbonylContact O-C 3.54Å; V592-V658 WeakPolarHBondContact O-CA 3.17Å; V592-L659 HydrophobicContact CB-CD1 4.27Å; V592-L659 HydrophobicContact CG1-CD1 4.23Å; V592-L659 PolarHBondContact O-N 3.11Å
593	P	97.3	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-62.2	142.6	-177.9	-23.7	35.2	0	0	0	113.3	G591 P595 F619 W627 V658	G591-P593 VanDerWaalsContact O-CD 3.31Å; G591-P593 WeakPolarHBondContact O-CD 3.42Å; P593-P595 WeakPolarHBondContact O-CD 3.26Å; P593-F619 HydrophobicContact CB-CZ 4.22Å; P593-F619 HydrophobicContact CG-CZ 4.06Å; P593-W627 HydrophobicContact CB-CB 4.25Å; P593-W627 VanDerWaalsContact CB-CD1 3.46Å; P593-W627 HydrophobicContact CB-CD2 4.02Å; P593-W627 HydrophobicContact CB-CG 3.66Å; P593-W627 HydrophobicContact CG-CB 3.83Å; P593-W627 HydrophobicContact CG-CG 3.75Å; P593-V658 HydrophobicContact CG-CG1 4.42Å
594	I	97.6	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-72.4	122.4	170.7	-61.3	-177.2	0	0	0	108	F290 W543 V596 I607 D657 L659	F290-I594 HydrophobicContact CE2-CG2 4.45Å; F290-I594 HydrophobicContact CZ-CG2 4.08Å; W543-I594 HydrophobicContact CB-CD1 4Å; W543-I594 HydrophobicContact CG-CD1 3.98Å; I594-V596 HydrophobicContact CB-CG1 4.42Å; I594-V596 HydrophobicContact CG2-CB 4.26Å; I594-V596 HydrophobicContact CG2-CG1 3.97Å; I594-V596 PolarHBondContact O-N 2.94Å; I594-I607 HydrophobicContact CG2-CD1 4.4Å; I594-D657 HydrophobicContact CD1-CB 3.97Å; I594-D657 HydrophobicContact CG1-CB 4.36Å; I594-D657 PolarHBondContact N-O 3.11Å; I594-L659 HydrophobicContact CD1-CD2 4.16Å; I594-L659 HydrophobicContact CG1-CD2 3.8Å; I594-L659 HydrophobicContact CG1-CG 3.94Å
595	P	95.9	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.			trans	-79.2	60	-173.8	33.3	-38.5	0	0	0	112.6	L287 P593 I607 I612 I615	L287-P595 HydrophobicContact CD1-CG 4.35Å; L287-P595 HydrophobicContact CD2-CG 4.02Å; P593-P595 WeakPolarHBondContact O-CD 3.26Å; P595-I607 HydrophobicContact CG-CD1 4.49Å; P595-I612 HydrophobicContact CG-CB 4.29Å; P595-I612 HydrophobicContact CG-CG1 3.97Å; P595-I612 HydrophobicContact CG-CG2 4.02Å; P595-I615 HydrophobicContact CB-CB 3.8Å; P595-I615 HydrophobicContact CB-CG1 3.91Å; P595-I615 HydrophobicContact CB-CG2 3.89Å
596	V	96.9	Very high	94.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.			trans	-111.6	144.8	178.5	63.2	0	0	0	0	110.7	W543 I594 Y598 P605 I607 W627 G655	W543-V596 HydrophobicContact CZ2-CB 4.46Å; W543-V596 HydrophobicContact CZ2-CG2 3.97Å; I594-V596 HydrophobicContact CB-CG1 4.42Å; I594-V596 HydrophobicContact CG2-CB 4.26Å; I594-V596 HydrophobicContact CG2-CG1 3.97Å; I594-V596 PolarHBondContact O-N 2.94Å; V596-Y598 HydrophobicContact CG1-CE2 3.81Å; V596-Y598 HydrophobicContact CG2-CD1 4.35Å; V596-Y598 HydrophobicContact CG2-CE1 3.95Å; V596-Y598 HydrophobicContact CG2-CE2 4.29Å; V596-P605 HydrophobicContact CG2-CB 3.68Å; V596-I607 HydrophobicContact CB-CB 4.34Å; V596-I607 HydrophobicContact CB-CD1 4.16Å; V596-I607 HydrophobicContact CG2-CB 4.2Å; V596-I607 HydrophobicContact CG2-CG2 4.43Å; V596-W627 WeakPolarHBondContact O-CH2 2.96Å; V596-G655 PolarHBondContact O-N 3.34Å
597	F	97.7	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	166.1	-53.3	-92.6	0	0	0	108.5	P605 L606 T611 I615 W627 I632 L635 L636 Y652 V653 R654	F597-P605 CarbonylContact O-C 3.44Å; F597-L606 HydrophobicContact CB-CB 4.35Å; F597-L606 PolarHBondContact N-O 2.87Å; F597-L606 WeakPolarHBondContact O-CA 3.23Å; F597-L606 PolarHBondContact O-N 3.31Å; F597-T611 HydrophobicContact CD2-CG2 4.45Å; F597-T611 HydrophobicContact CE2-CG2 4.38Å; F597-I615 HydrophobicContact CZ-CD1 4.28Å; F597-W627 HydrophobicContact CD1-CH2 4.42Å; F597-W627 AromaticContact CE1-CH2 3.88Å; F597-W627 HydrophobicContact CE1-CH2 3.88Å; F597-W627 HydrophobicContact CE1-CZ3 4.1Å; F597-W627 HydrophobicContact CE2-CH2 4.23Å; F597-W627 HydrophobicContact CE2-CZ3 4.41Å; F597-W627 AromaticContact CZ-CH2 3.78Å; F597-W627 HydrophobicContact CZ-CH2 3.78Å; F597-W627 AromaticContact CZ-CZ3 3.74Å; F597-W627 HydrophobicContact CZ-CZ3 3.74Å; F597-I632 HydrophobicContact CD1-CD1 4.15Å; F597-I632 HydrophobicContact CD1-CG1 4.25Å; F597-I632 HydrophobicContact CE1-CG1 4.22Å; F597-L635 HydrophobicContact CE1-CB 3.87Å; F597-L635 HydrophobicContact CZ-CB 3.87Å; F597-L636 HydrophobicContact CB-CD2 4.31Å; F597-L636 HydrophobicContact CD1-CB 4.45Å; F597-L636 HydrophobicContact CD1-CD2 4.08Å; F597-L636 HydrophobicContact CD2-CD1 4.01Å; F597-L636 HydrophobicContact CD2-CD2 4.11Å; F597-L636 HydrophobicContact CD2-CG 4.5Å; F597-L636 HydrophobicContact CE1-CB 4Å; F597-L636 HydrophobicContact CE1-CD2 4.45Å; F597-L636 HydrophobicContact CE2-CB 4.29Å; F597-L636 HydrophobicContact CE2-CD1 3.87Å; F597-L636 HydrophobicContact CE2-CD2 4.49Å; F597-L636 HydrophobicContact CE2-CG 4.44Å; F597-L636 HydrophobicContact CG-CD2 3.9Å; F597-L636 HydrophobicContact CZ-CB 3.91Å; F597-L636 HydrophobicContact CZ-CD1 4.36Å; F597-Y652 HydrophobicContact CB-CD1 4.43Å; F597-V653 CarbonylContact C-O 3.43Å; F597-V653 WeakPolarHBondContact CA-O 3.45Å; F597-V653 WeakPolarHBondContact CB-O 3.22Å; F597-R654 HydrophobicContact CD1-CB 4.38Å
598	Y	96.8	Very high	94.9	Very high	40 Å²	40	36.9 Å²	36.9	16%	0.157	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.2	178.8	-62.8	-75.6	0	0	0	110.3	Q301 W543 V596 P605 Y652 V653	Q301-Y598 PolarHBondContact NE2-OH 3.44Å; W543-Y598 PolarHBondContact NE1-OH 3.34Å; W543-Y598 VanDerWaalsContact NE1-OH 3.12Å; V596-Y598 HydrophobicContact CG1-CE2 3.81Å; V596-Y598 HydrophobicContact CG2-CD1 4.35Å; V596-Y598 HydrophobicContact CG2-CE1 3.95Å; V596-Y598 HydrophobicContact CG2-CE2 4.29Å; Y598-P605 HydrophobicContact CD1-CB 4.03Å; Y598-P605 HydrophobicContact CE1-CB 3.85Å; Y598-Y652 CarbonylContact O-C 3.45Å; Y598-Y652 VanDerWaalsContact O-CA 3.3Å; Y598-Y652 WeakPolarHBondContact O-CA 3.48Å; Y598-V653 PolarHBondContact N-O 3.27Å; Y598-V653 PolarHBondContact O-N 2.85Å
599	H	96.5	Very high	95.2	Very high	44 Å²	44	41.2 Å²	41.2	20%	0.204	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.4	173.3	-175.3	-73.9	0	0	0	110.3	E601 S602 G603 E604 D651 Y652	H599-E601 PolarHBondContact ND1-N 2.95Å; H599-E601 PolarHBondContact O-N 3.03Å; H599-S602 PolarHBondContact ND1-OG 3.31Å; H599-G603 VanDerWaalsContact O-CA 3.3Å; H599-G603 WeakPolarHBondContact O-CA 3.39Å; H599-G603 PolarHBondContact O-N 3.32Å; H599-E604 PolarHBondContact N-O 3.27Å; H599-D651 CarbonylContact C-O 3.54Å; H599-D651 WeakPolarHBondContact CA-O 3.29Å; H599-Y652 HydrophobicContact CB-CD1 4.23Å; H599-Y652 HydrophobicContact CB-CE1 4.02Å
600	K	94.9	Very high	95.5	Very high	125 Å²	125	44.6 Å²	44.6	54%	0.543	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-41	-169.5	-75.7	171.5	179.2	168.5	0	114.4	S650 D651 Y652 V653	K600-S650 WeakPolarHBondContact CE-O 3.5Å; K600-S650 PolarHBondContact NZ-O 2.94Å; K600-D651 WeakPolarHBondContact CG-O 3.34Å; K600-D651 PolarHBondContact N-O 3.41Å; K600-Y652 WeakPolarHBondContact CE-O 3.43Å; K600-V653 HydrophobicContact CD-CG1 4.34Å; K600-V653 VanDerWaalsContact CE-CG1 3.45Å; K600-V653 HydrophobicContact CG-CG1 3.91Å
601	E	92.3	Very high	95.6	Very high	182 Å²	182	44.6 Å²	44.6	85%	0.85	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-47.9	-175.7	-57.2	-175.1	154.3	0	0	113.8	H599	H599-E601 PolarHBondContact ND1-N 2.95Å; H599-E601 PolarHBondContact O-N 3.03Å
602	S	91.9	Very high	95.7	Very high	69 Å²	69	44.6 Å²	44.6	48%	0.483	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-19.6	-176.3	58.2	0	0	0	0	114.6	H599 E604	H599-S602 PolarHBondContact ND1-OG 3.31Å; S602-E604 PolarHBondContact O-N 3.34Å; S602-E604 PolarHBondContact OG-N 3.21Å
603	G	90.1	Very high	95.7	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	24%	0.238	S	C	.	.			trans	68.7	13.8	-172.1	0	0	0	0	0	114.5	H599	H599-G603 VanDerWaalsContact O-CA 3.3Å; H599-G603 WeakPolarHBondContact O-CA 3.39Å; H599-G603 PolarHBondContact O-N 3.32Å
604	E	93.1	Very high	95.7	Very high	127 Å²	127	48.3 Å²	48.3	59%	0.593	25%	0.245	S	C	*	.			trans	-71.5	134.8	179.7	-75.9	-66	149.8	0	0	111.9	H599 S602 L606	H599-E604 PolarHBondContact N-O 3.27Å; S602-E604 PolarHBondContact O-N 3.34Å; S602-E604 PolarHBondContact OG-N 3.21Å; E604-L606 PolarHBondContact O-N 3.27Å
605	P	95.5	Very high	95.8	Very high	40 Å²	40	48.3 Å²	48.3	26%	0.26	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.1	-178.7	30.5	-33.3	0	0	0	113.2	W543 V596 F597 Y598 I607	W543-P605 HydrophobicContact CH2-CB 4.19Å; W543-P605 HydrophobicContact CH2-CG 4.34Å; W543-P605 HydrophobicContact CZ2-CB 3.89Å; W543-P605 HydrophobicContact CZ2-CG 4.35Å; V596-P605 HydrophobicContact CG2-CB 3.68Å; F597-P605 CarbonylContact O-C 3.44Å; Y598-P605 HydrophobicContact CD1-CB 4.03Å; Y598-P605 HydrophobicContact CE1-CB 3.85Å; P605-I607 HydrophobicContact CB-CG2 4.44Å; P605-I607 PolarHBondContact O-N 3.44Å
606	L	96.6	Very high	95.9	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.115	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	94.4	161.7	177.7	63.4	0	0	0	110	F597 E604 T611 L636 L641 A646 Y652	F597-L606 HydrophobicContact CB-CB 4.35Å; F597-L606 PolarHBondContact N-O 2.87Å; F597-L606 WeakPolarHBondContact O-CA 3.23Å; F597-L606 PolarHBondContact O-N 3.31Å; E604-L606 PolarHBondContact O-N 3.27Å; L606-T611 HydrophobicContact CG-CG2 4.39Å; L606-L636 HydrophobicContact CD2-CD1 4.09Å; L606-L636 HydrophobicContact CD2-CD2 3.87Å; L606-L641 HydrophobicContact CD2-CD2 4.34Å; L606-A646 HydrophobicContact CD1-CB 3.93Å; L606-A646 HydrophobicContact CD2-CB 3.62Å; L606-A646 HydrophobicContact CG-CB 4.45Å; L606-Y652 HydrophobicContact CB-CD1 4.1Å; L606-Y652 HydrophobicContact CB-CE1 3.75Å; L606-Y652 HydrophobicContact CD2-CD1 4.07Å; L606-Y652 HydrophobicContact CD2-CD2 4.39Å; L606-Y652 HydrophobicContact CD2-CE1 3.77Å; L606-Y652 HydrophobicContact CD2-CE2 4.1Å; L606-Y652 HydrophobicContact CD2-CG 4.38Å; L606-Y652 HydrophobicContact CG-CE1 4.35Å
607	I	96.3	Very high	95.9	Very high	17 Å²	17	54 Å²	54	9%	0.087	27%	0.272	C	S	.	.			trans	-141	129.9	170.6	-173	166.3	0	0	0	111.1	F290 H294 W543 I594 P595 V596 P605 I612	F290-I607 HydrophobicContact CE1-CD1 3.67Å; F290-I607 HydrophobicContact CZ-CD1 3.98Å; H294-I607 PolarHBondContact CE1-O 2.63Å; W543-I607 HydrophobicContact CH2-CG2 3.58Å; W543-I607 HydrophobicContact CZ2-CG2 4.22Å; W543-I607 HydrophobicContact CZ3-CG2 4.32Å; I594-I607 HydrophobicContact CG2-CD1 4.4Å; P595-I607 HydrophobicContact CG-CD1 4.49Å; V596-I607 HydrophobicContact CB-CB 4.34Å; V596-I607 HydrophobicContact CB-CD1 4.16Å; V596-I607 HydrophobicContact CG2-CB 4.2Å; V596-I607 HydrophobicContact CG2-CG2 4.43Å; P605-I607 HydrophobicContact CB-CG2 4.44Å; P605-I607 PolarHBondContact O-N 3.44Å; I607-I612 HydrophobicContact CD1-CD1 4.32Å; I607-I612 HydrophobicContact CD1-CG1 4.23Å; I607-I612 HydrophobicContact CG1-CD1 3.93Å; I607-I612 HydrophobicContact CG1-CG1 3.84Å
608	N	95.4	Very high	95.9	Very high	32 Å²	32	55 Å²	55	17%	0.171	28%	0.277	C	S	.	.			trans	-162.6	175.8	-179.5	61.7	82.4	0	0	0	111.5	Y610 T611 I612 S644	N608-Y610 PolarHBondContact O-N 2.86Å; N608-Y610 VanDerWaalsContact OD1-CB 3.31Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.49Å; N608-Y610 VanDerWaalsContact OD1-CD2 3.24Å; N608-Y610 WeakPolarHBondContact OD1-CD2 3.4Å; N608-Y610 PolarHBondContact OD1-N 3.29Å; N608-T611 PolarHBondContact N-OG1 3.36Å; N608-T611 PolarHBondContact O-N 2.78Å; N608-T611 VanDerWaalsContact O-N 3.14Å; N608-T611 PolarHBondContact O-OG1 2.86Å; N608-T611 VanDerWaalsContact O-OG1 3.05Å; N608-I612 WeakPolarHBondContact O-CD1 3.06Å; N608-I612 VanDerWaalsContact O-CG1 3.27Å; N608-I612 WeakPolarHBondContact O-CG1 3.35Å; N608-I612 PolarHBondContact O-N 2.92Å; N608-S644 WeakPolarHBondContact ND2-CB 3.27Å; N608-S644 PolarHBondContact ND2-OG 2.85Å; N608-S644 PolarHBondContact OD1-OG 3.49Å; N608-S644 VanDerWaalsContact OD1-OG 3.05Å
609	K	96.3	Very high	96	Very high	120 Å²	120	53.1 Å²	53.1	52%	0.522	27%	0.27	S	S	.	.	H	α-helix	trans	-57.2	-18.1	-178.2	72	177.1	-173.5	177.6	0	115.6	Q291 A613	Q291-K609 HydrophobicContact CG-CB 4.38Å; Q291-K609 PolarHBondContact NE2-O 2.74Å; K609-A613 WeakPolarHBondContact O-CB 3.41Å
610	Y	97	Very high	96	Very high	91 Å²	91	58 Å²	58	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-90.3	-37.9	177.2	-50.5	-63.8	0	0	0	112.3	N608 H614 K643	N608-Y610 PolarHBondContact O-N 2.86Å; N608-Y610 VanDerWaalsContact OD1-CB 3.31Å; N608-Y610 WeakPolarHBondContact OD1-CB 3.49Å; N608-Y610 VanDerWaalsContact OD1-CD2 3.24Å; N608-Y610 WeakPolarHBondContact OD1-CD2 3.4Å; N608-Y610 PolarHBondContact OD1-N 3.29Å; Y610-H614 WeakPolarHBondContact O-CB 3.44Å; Y610-H614 PolarHBondContact O-N 2.69Å; Y610-K643 HydrophobicContact CD1-CB 3.99Å; Y610-K643 HydrophobicContact CD1-CD 4.07Å; Y610-K643 HydrophobicContact CD1-CG 4.46Å; Y610-K643 HydrophobicContact CD2-CB 3.62Å; Y610-K643 WeakPolarHBondContact CD2-O 3.33Å; Y610-K643 HydrophobicContact CE1-CB 4.27Å; Y610-K643 HydrophobicContact CE1-CD 4.5Å; Y610-K643 HydrophobicContact CE2-CB 3.92Å; Y610-K643 WeakPolarHBondContact CE2-O 3.32Å; Y610-K643 HydrophobicContact CG-CB 3.65Å; Y610-K643 HydrophobicContact CG-CD 4.39Å
611	T	96.9	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-50.4	173.9	61.1	0	0	0	0	110.1	F597 L606 N608 A613 H614 I615 L636 V640	F597-T611 HydrophobicContact CD2-CG2 4.45Å; F597-T611 HydrophobicContact CE2-CG2 4.38Å; L606-T611 HydrophobicContact CG-CG2 4.39Å; N608-T611 PolarHBondContact N-OG1 3.36Å; N608-T611 PolarHBondContact O-N 2.78Å; N608-T611 VanDerWaalsContact O-N 3.14Å; N608-T611 PolarHBondContact O-OG1 2.86Å; N608-T611 VanDerWaalsContact O-OG1 3.05Å; T611-A613 VanDerWaalsContact C-N 3.35Å; T611-A613 PolarHBondContact O-N 3.27Å; T611-H614 PolarHBondContact O-N 3.33Å; T611-H614 VanDerWaalsContact O-N 3.15Å; T611-I615 WeakPolarHBondContact O-CG1 2.98Å; T611-I615 PolarHBondContact O-N 2.85Å; T611-L636 HydrophobicContact CG2-CD1 3.89Å; T611-V640 HydrophobicContact CG2-CG1 3.87Å
612	I	97.7	Very high	96.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-44.4	-178.2	-54.6	161.6	0	0	0	111	L287 F290 Q291 H294 P595 I607 N608 H614 I615 A616	L287-I612 HydrophobicContact CB-CG2 4.41Å; F290-I612 HydrophobicContact CD1-CD1 4.09Å; F290-I612 HydrophobicContact CD1-CG2 4.42Å; F290-I612 HydrophobicContact CE1-CD1 4.06Å; Q291-I612 HydrophobicContact CB-CB 4.27Å; Q291-I612 HydrophobicContact CB-CD1 4.34Å; Q291-I612 HydrophobicContact CB-CG2 3.66Å; Q291-I612 HydrophobicContact CG-CB 4.16Å; Q291-I612 HydrophobicContact CG-CD1 4.22Å; Q291-I612 HydrophobicContact CG-CG2 4.09Å; H294-I612 HydrophobicContact CB-CD1 4.37Å; P595-I612 HydrophobicContact CG-CB 4.29Å; P595-I612 HydrophobicContact CG-CG1 3.97Å; P595-I612 HydrophobicContact CG-CG2 4.02Å; I607-I612 HydrophobicContact CD1-CD1 4.32Å; I607-I612 HydrophobicContact CD1-CG1 4.23Å; I607-I612 HydrophobicContact CG1-CD1 3.93Å; I607-I612 HydrophobicContact CG1-CG1 3.84Å; N608-I612 WeakPolarHBondContact O-CD1 3.06Å; N608-I612 VanDerWaalsContact O-CG1 3.27Å; N608-I612 WeakPolarHBondContact O-CG1 3.35Å; N608-I612 PolarHBondContact O-N 2.92Å; I612-H614 VanDerWaalsContact C-N 3.33Å; I612-H614 PolarHBondContact O-N 3.49Å; I612-I615 PolarHBondContact O-N 3.13Å; I612-A616 VanDerWaalsContact O-CB 3.26Å; I612-A616 WeakPolarHBondContact O-CB 3.32Å; I612-A616 PolarHBondContact O-N 3.41Å
613	A	97.6	Very high	96.5	Very high	45 Å²	45	50.8 Å²	50.8	37%	0.372	26%	0.257	S	S	.	.	H	α-helix	trans	-68	-29.6	179.6	0	0	0	0	0	113.7	K609 T611 K617	K609-A613 WeakPolarHBondContact O-CB 3.41Å; T611-A613 VanDerWaalsContact C-N 3.35Å; T611-A613 PolarHBondContact O-N 3.27Å; A613-K617 PolarHBondContact O-N 2.99Å
614	H	97.6	Very high	96.8	Very high	34 Å²	34	49.5 Å²	49.5	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-72.4	-47.1	174	-177.4	72.7	0	0	0	111.2	Y610 T611 I612 A616 K617 L618 A634 L635 P637 V640	Y610-H614 WeakPolarHBondContact O-CB 3.44Å; Y610-H614 PolarHBondContact O-N 2.69Å; T611-H614 PolarHBondContact O-N 3.33Å; T611-H614 VanDerWaalsContact O-N 3.15Å; I612-H614 VanDerWaalsContact C-N 3.33Å; I612-H614 PolarHBondContact O-N 3.49Å; H614-A616 PolarHBondContact O-N 3.48Å; H614-K617 WeakPolarHBondContact O-CB 3.33Å; H614-K617 PolarHBondContact O-N 3.22Å; H614-K617 VanDerWaalsContact O-N 3.1Å; H614-L618 PolarHBondContact O-N 3.09Å; H614-A634 PolarHBondContact NE2-O 2.97Å; H614-L635 PolarHBondContact CD2-O 2.91Å; H614-L635 VanDerWaalsContact CD2-O 3.29Å; H614-P637 WeakPolarHBondContact NE2-CD 3.48Å; H614-V640 HydrophobicContact CB-CG2 3.84Å
615	I	98.1	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-39.5	177.5	-58.1	-55	0	0	0	111.6	L287 P595 F597 T611 I612 K617 L618 F619 W627 L635	L287-I615 HydrophobicContact CD1-CG2 4.08Å; P595-I615 HydrophobicContact CB-CB 3.8Å; P595-I615 HydrophobicContact CB-CG1 3.91Å; P595-I615 HydrophobicContact CB-CG2 3.89Å; F597-I615 HydrophobicContact CZ-CD1 4.28Å; T611-I615 WeakPolarHBondContact O-CG1 2.98Å; T611-I615 PolarHBondContact O-N 2.85Å; I612-I615 PolarHBondContact O-N 3.13Å; I615-K617 PolarHBondContact O-N 3.31Å; I615-L618 HydrophobicContact CD1-CD1 4.12Å; I615-L618 PolarHBondContact O-N 2.88Å; I615-L618 VanDerWaalsContact O-N 3.12Å; I615-F619 HydrophobicContact CG2-CD1 3.84Å; I615-F619 HydrophobicContact CG2-CD2 4.32Å; I615-F619 HydrophobicContact CG2-CE1 3.39Å; I615-F619 HydrophobicContact CG2-CE2 3.92Å; I615-F619 HydrophobicContact CG2-CG 4.29Å; I615-F619 HydrophobicContact CG2-CZ 3.43Å; I615-F619 VanDerWaalsContact CG2-CZ 3.43Å; I615-F619 WeakPolarHBondContact O-CD1 3.24Å; I615-F619 WeakPolarHBondContact O-CG 3.46Å; I615-F619 PolarHBondContact O-N 3.15Å; I615-W627 HydrophobicContact CD1-CE3 4.08Å; I615-W627 HydrophobicContact CD1-CZ3 3.69Å; I615-W627 HydrophobicContact CG1-CE3 4.44Å; I615-W627 HydrophobicContact CG1-CZ3 3.85Å; I615-W627 HydrophobicContact CG2-CE3 4.12Å; I615-W627 HydrophobicContact CG2-CZ3 4.23Å; I615-L635 HydrophobicContact CD1-CB 4.17Å; I615-L635 HydrophobicContact CD1-CD2 4.08Å; I615-L635 WeakPolarHBondContact CD1-O 3.49Å
616	A	97.8	Very high	97.1	Very high	11 Å²	11	42.9 Å²	42.9	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-31.5	172.6	0	0	0	0	0	112.8	A284 L287 I612 H614 K620	A284-A616 WeakPolarHBondContact CB-O 3.4Å; L287-A616 HydrophobicContact CB-CB 3.81Å; L287-A616 HydrophobicContact CD1-CB 4.22Å; I612-A616 VanDerWaalsContact O-CB 3.26Å; I612-A616 WeakPolarHBondContact O-CB 3.32Å; I612-A616 PolarHBondContact O-N 3.41Å; H614-A616 PolarHBondContact O-N 3.48Å; A616-K620 WeakPolarHBondContact O-CB 3.49Å; A616-K620 PolarHBondContact O-N 2.91Å; A616-K620 VanDerWaalsContact O-N 3.17Å
617	K	98	Very high	97.1	Very high	109 Å²	109	41.9 Å²	41.9	47%	0.474	21%	0.205	S	C	.	.	H	α-helix	trans	-68.3	-48.7	170.7	-173.8	-169.1	179.2	-87.2	0	110.9	A613 H614 I615 F619 K620 E621	A613-K617 PolarHBondContact O-N 2.99Å; H614-K617 WeakPolarHBondContact O-CB 3.33Å; H614-K617 PolarHBondContact O-N 3.22Å; H614-K617 VanDerWaalsContact O-N 3.1Å; I615-K617 PolarHBondContact O-N 3.31Å; K617-F619 PolarHBondContact O-N 3.02Å; K617-K620 WeakPolarHBondContact O-CB 3.41Å; K617-K620 PolarHBondContact O-N 3.49Å; K617-E621 WeakPolarHBondContact CE-OE1 3.39Å; K617-E621 IonicContact NZ-OE1 2.74Å; K617-E621 PolarHBondContact NZ-OE1 3.14Å; K617-E621 IonicContact NZ-OE2 2.66Å; K617-E621 PolarHBondContact NZ-OE2 3.32Å; K617-E621 WeakPolarHBondContact O-CG 3.22Å; K617-E621 PolarHBondContact O-N 2.94Å
618	L	98	Very high	97.1	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-42.9	179.4	-68.2	-178.5	0	0	0	112.1	H614 I615 K620 E621 N622 L630 L635	H614-L618 PolarHBondContact O-N 3.09Å; I615-L618 HydrophobicContact CD1-CD1 4.12Å; I615-L618 PolarHBondContact O-N 2.88Å; I615-L618 VanDerWaalsContact O-N 3.12Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.91Å; L618-E621 PolarHBondContact O-N 3.44Å; L618-E621 VanDerWaalsContact O-N 3.17Å; L618-N622 PolarHBondContact O-N 2.95Å; L618-N622 PolarHBondContact O-ND2 3.09Å; L618-L630 HydrophobicContact CD1-CD1 4.18Å; L618-L635 HydrophobicContact CD1-CD2 4Å
619	F	97.8	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-38.7	176.3	-69.7	6.6	0	0	0	111.1	G280 E283 L287 V592 P593 I615 K617 E621 G623 W627	G280-F619 CarbonylContact C-O 3.57Å; G280-F619 WeakPolarHBondContact CA-O 3.47Å; G280-F619 CarbonylContact O-C 3.6Å; E283-F619 HydrophobicContact CB-CB 4.34Å; E283-F619 HydrophobicContact CB-CD2 4.2Å; L287-F619 HydrophobicContact CD1-CD2 3.53Å; L287-F619 HydrophobicContact CD1-CE2 3.63Å; L287-F619 HydrophobicContact CD1-CG 4.4Å; L287-F619 HydrophobicContact CG-CD2 4.4Å; V592-F619 HydrophobicContact CG1-CD2 4.16Å; V592-F619 HydrophobicContact CG1-CE2 3.85Å; P593-F619 HydrophobicContact CB-CZ 4.22Å; P593-F619 HydrophobicContact CG-CZ 4.06Å; I615-F619 HydrophobicContact CG2-CD1 3.84Å; I615-F619 HydrophobicContact CG2-CD2 4.32Å; I615-F619 HydrophobicContact CG2-CE1 3.39Å; I615-F619 HydrophobicContact CG2-CE2 3.92Å; I615-F619 HydrophobicContact CG2-CG 4.29Å; I615-F619 HydrophobicContact CG2-CZ 3.43Å; I615-F619 VanDerWaalsContact CG2-CZ 3.43Å; I615-F619 WeakPolarHBondContact O-CD1 3.24Å; I615-F619 WeakPolarHBondContact O-CG 3.46Å; I615-F619 PolarHBondContact O-N 3.15Å; K617-F619 PolarHBondContact O-N 3.02Å; F619-E621 VanDerWaalsContact C-N 3.26Å; F619-E621 PolarHBondContact O-N 2.95Å; F619-G623 VanDerWaalsContact O-CA 3.23Å; F619-G623 WeakPolarHBondContact O-CA 3.31Å; F619-G623 PolarHBondContact O-N 2.91Å; F619-W627 HydrophobicContact CE1-CB 4.01Å; F619-W627 HydrophobicContact CZ-CB 4.13Å
620	K	97.7	Very high	97.1	Very high	147 Å²	147	42.8 Å²	42.8	64%	0.639	21%	0.211	S	C	*	.	H	α-helix	trans	-61.9	-33.6	173.7	-168.9	170.9	-179.7	178.9	0	113.4	G280 A284 A616 K617 L618	G280-K620 WeakPolarHBondContact O-CA 3.46Å; G280-K620 PolarHBondContact O-N 3.38Å; A284-K620 HydrophobicContact CB-CB 3.74Å; A284-K620 HydrophobicContact CB-CG 4.4Å; A616-K620 WeakPolarHBondContact O-CB 3.49Å; A616-K620 PolarHBondContact O-N 2.91Å; A616-K620 VanDerWaalsContact O-N 3.17Å; K617-K620 WeakPolarHBondContact O-CB 3.41Å; K617-K620 PolarHBondContact O-N 3.49Å; L618-K620 VanDerWaalsContact C-N 3.34Å; L618-K620 PolarHBondContact O-N 2.91Å
621	E	96.9	Very high	97	Very high	113 Å²	113	42.2 Å²	42.2	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-90.9	-26.6	-174.9	-70.7	172.3	164.2	0	0	113.4	K617 L618 F619	K617-E621 WeakPolarHBondContact CE-OE1 3.39Å; K617-E621 IonicContact NZ-OE1 2.74Å; K617-E621 PolarHBondContact NZ-OE1 3.14Å; K617-E621 IonicContact NZ-OE2 2.66Å; K617-E621 PolarHBondContact NZ-OE2 3.32Å; K617-E621 WeakPolarHBondContact O-CG 3.22Å; K617-E621 PolarHBondContact O-N 2.94Å; L618-E621 PolarHBondContact O-N 3.44Å; L618-E621 VanDerWaalsContact O-N 3.17Å; F619-E621 VanDerWaalsContact C-N 3.26Å; F619-E621 PolarHBondContact O-N 2.95Å
622	N	96.3	Very high	97	Very high	98 Å²	98	43.9 Å²	43.9	52%	0.524	23%	0.227	S	C	.	.	H	α-helix	trans	-136.5	-5.6	-169.8	-45.2	-89.4	0	0	0	114.7	L618 C626	L618-N622 PolarHBondContact O-N 2.95Å; L618-N622 PolarHBondContact O-ND2 3.09Å; N622-C626 HydrophobicContact CB-CB 3.92Å
623	G	96.2	Very high	96.9	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	25%	0.25	C	S	.	.			trans	74.6	164.4	-167.2	0	0	0	0	0	113.6	F619 D625 C626	F619-G623 VanDerWaalsContact O-CA 3.23Å; F619-G623 WeakPolarHBondContact O-CA 3.31Å; F619-G623 PolarHBondContact O-N 2.91Å; G623-D625 PolarHBondContact O-N 3.31Å; G623-C626 PolarHBondContact O-N 2.92Å; G623-C626 PolarHBondContact O-SG 2.88Å; G623-C626 VanDerWaalsContact O-SG 3.4Å
624	S	96.6	Very high	96.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.4	-177.7	66.2	0	0	0	0	115.7	R244 E283 C626 W627	R244-S624 PolarHBondContact NH2-OG 3.25Å; E283-S624 VanDerWaalsContact CD-CB 3.5Å; E283-S624 WeakPolarHBondContact OE1-CB 3.24Å; E283-S624 PolarHBondContact OE1-OG 2.84Å; E283-S624 WeakPolarHBondContact OE2-CB 3.45Å; E283-S624 PolarHBondContact OE2-N 2.82Å; E283-S624 PolarHBondContact OE2-OG 3Å; S624-C626 PolarHBondContact O-N 3.14Å; S624-W627 WeakPolarHBondContact O-CB 3.28Å; S624-W627 PolarHBondContact O-N 3.16Å; S624-W627 VanDerWaalsContact O-N 3.13Å
625	D	96.8	Very high	96.7	Very high	28 Å²	28	47 Å²	47	15%	0.15	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.5	172.2	-65.4	-47.3	0	0	0	111.5	L241 R244 R248 G623 W627 W628 E629	L241-D625 HydrophobicContact CD2-CB 4.26Å; R244-D625 IonicContact CZ-OD1 2.79Å; R244-D625 IonicContact NE-OD1 3.29Å; R244-D625 PolarHBondContact NE-OD1 2.95Å; R244-D625 IonicContact NH2-OD1 3.37Å; R244-D625 PolarHBondContact NH2-OD1 3.45Å; R248-D625 IonicContact CZ-OD2 3.41Å; R248-D625 IonicContact NE-OD2 3.53Å; R248-D625 IonicContact NH2-OD2 2.85Å; R248-D625 PolarHBondContact NH2-OD2 3.34Å; G623-D625 PolarHBondContact O-N 3.31Å; D625-W627 PolarHBondContact O-N 3.01Å; D625-W628 PolarHBondContact O-N 2.87Å; D625-E629 PolarHBondContact O-N 2.73Å
626	C	96.9	Very high	96.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-18.5	178.1	88.3	0	0	0	0	114.1	N622 G623 S624 W628 L630	N622-C626 HydrophobicContact CB-CB 3.92Å; G623-C626 PolarHBondContact O-N 2.92Å; G623-C626 PolarHBondContact O-SG 2.88Å; G623-C626 VanDerWaalsContact O-SG 3.4Å; S624-C626 PolarHBondContact O-N 3.14Å; C626-W628 PolarHBondContact O-N 3.33Å; C626-L630 HydrophobicContact CB-CD1 3.79Å; C626-L630 HydrophobicContact CB-CG 4.06Å; C626-L630 WeakPolarHBondContact O-CB 3.48Å; C626-L630 VanDerWaalsContact O-CG 3.25Å; C626-L630 WeakPolarHBondContact O-CG 3.31Å; C626-L630 PolarHBondContact O-N 3.14Å
627	W	97.3	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-32.4	173.3	-175.4	-106.2	0	0	0	112.5	P593 V596 F597 I615 F619 S624 D625 L635 R654 G655	P593-W627 HydrophobicContact CB-CB 4.25Å; P593-W627 VanDerWaalsContact CB-CD1 3.46Å; P593-W627 HydrophobicContact CB-CD2 4.02Å; P593-W627 HydrophobicContact CB-CG 3.66Å; P593-W627 HydrophobicContact CG-CB 3.83Å; P593-W627 HydrophobicContact CG-CG 3.75Å; V596-W627 WeakPolarHBondContact O-CH2 2.96Å; F597-W627 HydrophobicContact CD1-CH2 4.42Å; F597-W627 AromaticContact CE1-CH2 3.88Å; F597-W627 HydrophobicContact CE1-CH2 3.88Å; F597-W627 HydrophobicContact CE1-CZ3 4.1Å; F597-W627 HydrophobicContact CE2-CH2 4.23Å; F597-W627 HydrophobicContact CE2-CZ3 4.41Å; F597-W627 AromaticContact CZ-CH2 3.78Å; F597-W627 HydrophobicContact CZ-CH2 3.78Å; F597-W627 AromaticContact CZ-CZ3 3.74Å; F597-W627 HydrophobicContact CZ-CZ3 3.74Å; I615-W627 HydrophobicContact CD1-CE3 4.08Å; I615-W627 HydrophobicContact CD1-CZ3 3.69Å; I615-W627 HydrophobicContact CG1-CE3 4.44Å; I615-W627 HydrophobicContact CG1-CZ3 3.85Å; I615-W627 HydrophobicContact CG2-CE3 4.12Å; I615-W627 HydrophobicContact CG2-CZ3 4.23Å; F619-W627 HydrophobicContact CE1-CB 4.01Å; F619-W627 HydrophobicContact CZ-CB 4.13Å; S624-W627 WeakPolarHBondContact O-CB 3.28Å; S624-W627 PolarHBondContact O-N 3.16Å; S624-W627 VanDerWaalsContact O-N 3.13Å; D625-W627 PolarHBondContact O-N 3.01Å; W627-L635 HydrophobicContact CE3-CD1 4.13Å; W627-L635 HydrophobicContact CE3-CD2 4.11Å; W627-L635 HydrophobicContact CZ3-CD1 4.44Å; W627-R654 HydrophobicContact CH2-CB 4.33Å; W627-R654 HydrophobicContact CZ2-CB 3.79Å; W627-R654 PolarHBondContact O-NH1 2.97Å; W627-G655 WeakPolarHBondContact CZ2-O 3.37Å; W627-G655 PolarHBondContact NE1-O 2.75Å
628	W	95.8	Very high	96.4	Very high	17 Å²	17	46.8 Å²	46.8	6%	0.064	25%	0.249	C	C	.	.	H	α-helix	trans	-92.2	-37.3	-177.1	-55	98.9	0	0	0	111.5	P240 L241 D625 C626 R654 E656	P240-W628 HydrophobicContact CB-CD2 3.7Å; P240-W628 HydrophobicContact CB-CE3 3.56Å; P240-W628 HydrophobicContact CB-CG 4.18Å; P240-W628 HydrophobicContact CB-CH2 4.45Å; P240-W628 HydrophobicContact CB-CZ3 3.96Å; P240-W628 HydrophobicContact CG-CD2 4.39Å; P240-W628 HydrophobicContact CG-CE3 3.73Å; P240-W628 HydrophobicContact CG-CZ3 3.86Å; L241-W628 HydrophobicContact CD1-CB 4.34Å; L241-W628 HydrophobicContact CD2-CB 3.89Å; L241-W628 HydrophobicContact CG-CB 3.89Å; D625-W628 PolarHBondContact O-N 2.87Å; C626-W628 PolarHBondContact O-N 3.33Å; W628-R654 PolarHBondContact O-NH1 3.02Å; W628-R654 PolarHBondContact O-NH2 3.34Å; W628-E656 HydrophobicContact CH2-CB 4.02Å; W628-E656 HydrophobicContact CH2-CG 4.43Å; W628-E656 HydrophobicContact CZ3-CB 4.27Å; W628-E656 HydrophobicContact CZ3-CG 4.2Å
629	E	95.7	Very high	96.3	Very high	121 Å²	121	50.3 Å²	50.3	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-73.7	-45.1	179.3	-62.1	173.5	168.4	0	0	114.1	L241 D625	L241-E629 HydrophobicContact CD1-CG 3.64Å; L241-E629 HydrophobicContact CD2-CG 3.85Å; L241-E629 HydrophobicContact CG-CG 4.4Å; D625-E629 PolarHBondContact O-N 2.73Å
630	L	96.4	Very high	96.2	Very high	51 Å²	51	50.6 Å²	50.6	27%	0.267	27%	0.266	S	S	.	.	S	Bend	trans	-77.1	144.7	-168	-66.8	176	0	0	0	112.4	L618 C626 A634 L635	L618-L630 HydrophobicContact CD1-CD1 4.18Å; C626-L630 HydrophobicContact CB-CD1 3.79Å; C626-L630 HydrophobicContact CB-CG 4.06Å; C626-L630 WeakPolarHBondContact O-CB 3.48Å; C626-L630 VanDerWaalsContact O-CG 3.25Å; C626-L630 WeakPolarHBondContact O-CG 3.31Å; C626-L630 PolarHBondContact O-N 3.14Å; L630-A634 HydrophobicContact CB-CB 4.32Å; L630-L635 HydrophobicContact CB-CD2 3.97Å; L630-L635 HydrophobicContact CB-CG 4.07Å; L630-L635 HydrophobicContact CD1-CD2 4.07Å
631	P	95.9	Very high	96.1	Very high	78 Å²	78	44.4 Å²	44.4	51%	0.506	24%	0.24	S	C	.	.			trans	-66	152.9	170.3	30.9	-36	0	0	0	110.7	E633 A634 L635	P631-E633 PolarHBondContact O-N 2.96Å; P631-E633 VanDerWaalsContact O-N 3.13Å; P631-A634 HydrophobicContact CG-CB 4.28Å; P631-A634 PolarHBondContact O-N 2.75Å; P631-L635 PolarHBondContact O-N 3.32Å
632	I	95.6	Very high	96	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.179	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-27.7	-174.5	-169.9	169.1	0	0	0	112.5	F597 A634 L635 L636 V649 Y652	F597-I632 HydrophobicContact CD1-CD1 4.15Å; F597-I632 HydrophobicContact CD1-CG1 4.25Å; F597-I632 HydrophobicContact CE1-CG1 4.22Å; I632-A634 VanDerWaalsContact C-N 3.25Å; I632-A634 PolarHBondContact O-N 2.82Å; I632-L635 PolarHBondContact O-N 3.18Å; I632-L636 HydrophobicContact CG1-CB 4.46Å; I632-L636 WeakPolarHBondContact O-CB 3.13Å; I632-L636 PolarHBondContact O-N 3.28Å; I632-V649 HydrophobicContact CB-CG2 4.39Å; I632-V649 HydrophobicContact CD1-CG2 4.44Å; I632-V649 HydrophobicContact CG1-CG2 3.93Å; I632-V649 HydrophobicContact CG2-CG2 3.92Å; I632-Y652 WeakPolarHBondContact CD1-O 3.35Å
633	E	95.4	Very high	96	Very high	106 Å²	106	48.5 Å²	48.5	50%	0.495	25%	0.252	S	S	.	.	H	α-helix	trans	-60.6	-29.5	173.8	-66.8	67.9	-153.6	0	0	113.4	P631 P637 V649	P631-E633 PolarHBondContact O-N 2.96Å; P631-E633 VanDerWaalsContact O-N 3.13Å; E633-P637 WeakPolarHBondContact O-CA 3.48Å; E633-V649 HydrophobicContact CG-CG1 4.17Å
634	A	95.3	Very high	95.9	Very high	39 Å²	39	49 Å²	49	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-88.3	-32.9	176.7	0	0	0	0	0	112.3	H614 L630 P631 I632	H614-A634 PolarHBondContact NE2-O 2.97Å; L630-A634 HydrophobicContact CB-CB 4.32Å; P631-A634 HydrophobicContact CG-CB 4.28Å; P631-A634 PolarHBondContact O-N 2.75Å; I632-A634 VanDerWaalsContact C-N 3.25Å; I632-A634 PolarHBondContact O-N 2.82Å
635	L	96.4	Very high	95.7	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-73.2	-29.2	174.5	-60.8	176.9	0	0	0	112.3	F597 H614 I615 L618 W627 L630 P631 I632	F597-L635 HydrophobicContact CE1-CB 3.87Å; F597-L635 HydrophobicContact CZ-CB 3.87Å; H614-L635 PolarHBondContact CD2-O 2.91Å; H614-L635 VanDerWaalsContact CD2-O 3.29Å; I615-L635 HydrophobicContact CD1-CB 4.17Å; I615-L635 HydrophobicContact CD1-CD2 4.08Å; I615-L635 WeakPolarHBondContact CD1-O 3.49Å; L618-L635 HydrophobicContact CD1-CD2 4Å; W627-L635 HydrophobicContact CE3-CD1 4.13Å; W627-L635 HydrophobicContact CE3-CD2 4.11Å; W627-L635 HydrophobicContact CZ3-CD1 4.44Å; L630-L635 HydrophobicContact CB-CD2 3.97Å; L630-L635 HydrophobicContact CB-CG 4.07Å; L630-L635 HydrophobicContact CD1-CD2 4.07Å; P631-L635 PolarHBondContact O-N 3.32Å; I632-L635 PolarHBondContact O-N 3.18Å
636	L	96.1	Very high	95.6	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.298	C	S	.	.	S	Bend	trans	-136.7	64.2	-175.1	-169.6	61	0	0	0	111.5	F597 L606 T611 I632 V640 L641 V649 Y652	F597-L636 HydrophobicContact CB-CD2 4.31Å; F597-L636 HydrophobicContact CD1-CB 4.45Å; F597-L636 HydrophobicContact CD1-CD2 4.08Å; F597-L636 HydrophobicContact CD2-CD1 4.01Å; F597-L636 HydrophobicContact CD2-CD2 4.11Å; F597-L636 HydrophobicContact CD2-CG 4.5Å; F597-L636 HydrophobicContact CE1-CB 4Å; F597-L636 HydrophobicContact CE1-CD2 4.45Å; F597-L636 HydrophobicContact CE2-CB 4.29Å; F597-L636 HydrophobicContact CE2-CD1 3.87Å; F597-L636 HydrophobicContact CE2-CD2 4.49Å; F597-L636 HydrophobicContact CE2-CG 4.44Å; F597-L636 HydrophobicContact CG-CD2 3.9Å; F597-L636 HydrophobicContact CZ-CB 3.91Å; F597-L636 HydrophobicContact CZ-CD1 4.36Å; L606-L636 HydrophobicContact CD2-CD1 4.09Å; L606-L636 HydrophobicContact CD2-CD2 3.87Å; T611-L636 HydrophobicContact CG2-CD1 3.89Å; I632-L636 HydrophobicContact CG1-CB 4.46Å; I632-L636 WeakPolarHBondContact O-CB 3.13Å; I632-L636 PolarHBondContact O-N 3.28Å; L636-V640 HydrophobicContact CD1-CG1 3.94Å; L636-L641 HydrophobicContact CD1-CD2 3.95Å; L636-L641 HydrophobicContact CD1-CG 4.45Å; L636-L641 HydrophobicContact CD2-CD2 3.66Å; L636-L641 HydrophobicContact CG-CD2 3.53Å; L636-L641 HydrophobicContact CG-CG 3.99Å; L636-V649 HydrophobicContact CB-CG2 4.43Å; L636-Y652 HydrophobicContact CD2-CD2 4.17Å; L636-Y652 HydrophobicContact CD2-CG 4.26Å
637	P	96.6	Very high	95.4	Very high	13 Å²	13	59.8 Å²	59.8	8%	0.084	31%	0.312	C	S	.	.			trans	-72.7	164.2	-171.5	30.6	-37.2	0	0	0	113.3	H614 E633 E639 V640 L641	H614-P637 WeakPolarHBondContact NE2-CD 3.48Å; E633-P637 WeakPolarHBondContact O-CA 3.48Å; P637-E639 VanDerWaalsContact C-N 3.29Å; P637-E639 WeakPolarHBondContact CG-OE1 3.47Å; P637-E639 PolarHBondContact O-N 3.42Å; P637-E639 VanDerWaalsContact O-N 3.13Å; P637-V640 HydrophobicContact CG-CB 4.25Å; P637-V640 HydrophobicContact CG-CG2 3.79Å; P637-V640 WeakPolarHBondContact O-CA 3.39Å; P637-V640 WeakPolarHBondContact O-CB 3.43Å; P637-V640 PolarHBondContact O-N 2.71Å; P637-L641 PolarHBondContact O-N 3.16Å
638	P	95.6	Very high	95.2	Very high	100 Å²	100	63.4 Å²	63.4	65%	0.649	34%	0.336	S	S	*	.	H	α-helix	trans	-54.8	-34.9	-172.6	-29	36.8	0	0	0	115.5	K642	P638-K642 VanDerWaalsContact O-CB 3.23Å; P638-K642 WeakPolarHBondContact O-CB 3.42Å; P638-K642 PolarHBondContact O-N 3.44Å
639	E	95.4	Very high	95.2	Very high	96 Å²	96	64.1 Å²	64.1	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-73.6	-24.8	176.4	74.4	-75.7	-179.9	0	0	113.5	P637 K643	P637-E639 VanDerWaalsContact C-N 3.29Å; P637-E639 WeakPolarHBondContact CG-OE1 3.47Å; P637-E639 PolarHBondContact O-N 3.42Å; P637-E639 VanDerWaalsContact O-N 3.13Å; E639-K643 WeakPolarHBondContact O-CB 3.48Å; E639-K643 WeakPolarHBondContact O-CD 3.2Å; E639-K643 WeakPolarHBondContact O-CG 3.27Å; E639-K643 PolarHBondContact O-N 3.31Å
640	V	96	Very high	95.2	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-75.9	-48.8	172.2	176.2	0	0	0	0	109.3	T611 H614 L636 P637 K642 K643 S644	T611-V640 HydrophobicContact CG2-CG1 3.87Å; H614-V640 HydrophobicContact CB-CG2 3.84Å; L636-V640 HydrophobicContact CD1-CG1 3.94Å; P637-V640 HydrophobicContact CG-CB 4.25Å; P637-V640 HydrophobicContact CG-CG2 3.79Å; P637-V640 WeakPolarHBondContact O-CA 3.39Å; P637-V640 WeakPolarHBondContact O-CB 3.43Å; P637-V640 PolarHBondContact O-N 2.71Å; V640-K642 VanDerWaalsContact C-N 3.32Å; V640-K642 PolarHBondContact O-N 2.96Å; V640-K643 PolarHBondContact O-N 3.14Å; V640-K643 VanDerWaalsContact O-N 3.13Å; V640-S644 WeakPolarHBondContact O-CB 3.32Å; V640-S644 PolarHBondContact O-N 3.3Å; V640-S644 PolarHBondContact O-OG 3.09Å; V640-S644 VanDerWaalsContact O-OG 3.07Å
641	L	95.3	Very high	95.2	Very high	18 Å²	18	61.4 Å²	61.4	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-52.4	-49.3	173.8	-69.7	172.7	0	0	0	111.9	L606 L636 P637 K643 S644 K645 A646 G647 V649 Y652	L606-L641 HydrophobicContact CD2-CD2 4.34Å; L636-L641 HydrophobicContact CD1-CD2 3.95Å; L636-L641 HydrophobicContact CD1-CG 4.45Å; L636-L641 HydrophobicContact CD2-CD2 3.66Å; L636-L641 HydrophobicContact CG-CD2 3.53Å; L636-L641 HydrophobicContact CG-CG 3.99Å; P637-L641 PolarHBondContact O-N 3.16Å; L641-K643 PolarHBondContact O-N 3.09Å; L641-S644 CarbonylContact O-C 3.56Å; L641-S644 PolarHBondContact O-N 3.01Å; L641-K645 PolarHBondContact O-N 2.83Å; L641-A646 HydrophobicContact CB-CB 4.47Å; L641-A646 HydrophobicContact CD2-CB 3.58Å; L641-A646 PolarHBondContact O-N 3.29Å; L641-A646 VanDerWaalsContact O-N 3.13Å; L641-G647 WeakPolarHBondContact CD2-O 3.18Å; L641-V649 HydrophobicContact CD1-CB 4.02Å; L641-Y652 HydrophobicContact CD2-CE2 4.37Å
642	K	95.4	Very high	95.3	Very high	181 Å²	181	58.9 Å²	58.9	79%	0.787	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-38.3	178.9	-174	175.5	-177.3	176	0	113.2	P638 V640	P638-K642 VanDerWaalsContact O-CB 3.23Å; P638-K642 WeakPolarHBondContact O-CB 3.42Å; P638-K642 PolarHBondContact O-N 3.44Å; V640-K642 VanDerWaalsContact C-N 3.32Å; V640-K642 PolarHBondContact O-N 2.96Å
643	K	95.6	Very high	95.3	Very high	115 Å²	115	60.3 Å²	60.3	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-71.2	-36.8	174.9	-72.7	164.8	-168.3	162.6	0	111.7	Y610 E639 V640 L641 K645	Y610-K643 HydrophobicContact CD1-CB 3.99Å; Y610-K643 HydrophobicContact CD1-CD 4.07Å; Y610-K643 HydrophobicContact CD1-CG 4.46Å; Y610-K643 HydrophobicContact CD2-CB 3.62Å; Y610-K643 WeakPolarHBondContact CD2-O 3.33Å; Y610-K643 HydrophobicContact CE1-CB 4.27Å; Y610-K643 HydrophobicContact CE1-CD 4.5Å; Y610-K643 HydrophobicContact CE2-CB 3.92Å; Y610-K643 WeakPolarHBondContact CE2-O 3.32Å; Y610-K643 HydrophobicContact CG-CB 3.65Å; Y610-K643 HydrophobicContact CG-CD 4.39Å; E639-K643 WeakPolarHBondContact O-CB 3.48Å; E639-K643 WeakPolarHBondContact O-CD 3.2Å; E639-K643 WeakPolarHBondContact O-CG 3.27Å; E639-K643 PolarHBondContact O-N 3.31Å; V640-K643 PolarHBondContact O-N 3.14Å; V640-K643 VanDerWaalsContact O-N 3.13Å; L641-K643 PolarHBondContact O-N 3.09Å; K643-K645 VanDerWaalsContact C-N 3.34Å
644	S	93.4	Very high	95.3	Very high	23 Å²	23	59 Å²	59	16%	0.161	32%	0.318	C	S	.	.	H	α-helix	trans	-76.5	-15.7	179	-62.4	0	0	0	0	114.4	N608 V640 L641 A646	N608-S644 WeakPolarHBondContact ND2-CB 3.27Å; N608-S644 PolarHBondContact ND2-OG 2.85Å; N608-S644 PolarHBondContact OD1-OG 3.49Å; N608-S644 VanDerWaalsContact OD1-OG 3.05Å; V640-S644 WeakPolarHBondContact O-CB 3.32Å; V640-S644 PolarHBondContact O-N 3.3Å; V640-S644 PolarHBondContact O-OG 3.09Å; V640-S644 VanDerWaalsContact O-OG 3.07Å; L641-S644 CarbonylContact O-C 3.56Å; L641-S644 PolarHBondContact O-N 3.01Å; S644-A646 VanDerWaalsContact C-N 3.27Å
645	K	94	Very high	95.3	Very high	199 Å²	199	57.2 Å²	57.2	87%	0.865	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	35.2	-169.7	-50.6	-180	-179.3	-179.6	0	113	L641 K643	L641-K645 PolarHBondContact O-N 2.83Å; K643-K645 VanDerWaalsContact C-N 3.34Å
646	A	93	Very high	95.2	Very high	27 Å²	27	63.1 Å²	63.1	22%	0.223	33%	0.331	C	S	.	.			trans	-82.2	167.8	178	0	0	0	0	0	112.2	L606 L641 S644 Y652	L606-A646 HydrophobicContact CD1-CB 3.93Å; L606-A646 HydrophobicContact CD2-CB 3.62Å; L606-A646 HydrophobicContact CG-CB 4.45Å; L641-A646 HydrophobicContact CB-CB 4.47Å; L641-A646 HydrophobicContact CD2-CB 3.58Å; L641-A646 PolarHBondContact O-N 3.29Å; L641-A646 VanDerWaalsContact O-N 3.13Å; S644-A646 VanDerWaalsContact C-N 3.27Å; A646-Y652 HydrophobicContact CB-CE2 4.13Å
647	G	92.7	Very high	95.2	Very high	29 Å²	29	64 Å²	64	30%	0.299	34%	0.336	S	S	.	.			trans	-70.2	-174.4	168.4	0	0	0	0	0	112.9	L641 Y652	L641-G647 WeakPolarHBondContact CD2-O 3.18Å; G647-Y652 PolarHBondContact N-OH 2.88Å; G647-Y652 VanDerWaalsContact N-OH 3.1Å
648	P	94.4	Very high	95.2	Very high	76 Å²	76	63.6 Å²	63.6	49%	0.494	33%	0.333	S	S	.	.			trans	-62.3	153.6	169.2	28	-34.4	0	0	0	111.9	S650 D651 Y652	P648-S650 WeakPolarHBondContact CG-OG 3.5Å; P648-S650 PolarHBondContact O-N 3.1Å; P648-S650 VanDerWaalsContact O-N 3.11Å; P648-D651 VanDerWaalsContact CD-OD2 3.25Å; P648-D651 WeakPolarHBondContact CD-OD2 3.18Å; P648-D651 VanDerWaalsContact CG-OD2 3.32Å; P648-D651 WeakPolarHBondContact CG-OD2 3.24Å; P648-D651 PolarHBondContact O-N 3.23Å; P648-D651 VanDerWaalsContact O-N 3.13Å; P648-Y652 WeakPolarHBondContact O-CD2 3.49Å
649	V	95.5	Very high	95.2	Very high	32 Å²	32	59 Å²	59	19%	0.194	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27.6	-177.3	72.1	0	0	0	0	113.2	I632 E633 L636 L641 D651 Y652	I632-V649 HydrophobicContact CB-CG2 4.39Å; I632-V649 HydrophobicContact CD1-CG2 4.44Å; I632-V649 HydrophobicContact CG1-CG2 3.93Å; I632-V649 HydrophobicContact CG2-CG2 3.92Å; E633-V649 HydrophobicContact CG-CG1 4.17Å; L636-V649 HydrophobicContact CB-CG2 4.43Å; L641-V649 HydrophobicContact CD1-CB 4.02Å; V649-D651 PolarHBondContact O-N 3.37Å; V649-D651 VanDerWaalsContact O-N 3.09Å; V649-Y652 PolarHBondContact O-N 3.47Å
650	S	95.4	Very high	95	Very high	64 Å²	64	54.5 Å²	54.5	45%	0.448	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-53.6	-27.3	176.4	47.3	0	0	0	0	114.1	K600 P648 Y652	K600-S650 WeakPolarHBondContact CE-O 3.5Å; K600-S650 PolarHBondContact NZ-O 2.94Å; P648-S650 WeakPolarHBondContact CG-OG 3.5Å; P648-S650 PolarHBondContact O-N 3.1Å; P648-S650 VanDerWaalsContact O-N 3.11Å; S650-Y652 VanDerWaalsContact C-N 3.31Å
651	D	96.3	Very high	94.8	Very high	52 Å²	52	55.1 Å²	55.1	28%	0.278	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-90.3	-5.5	-168.2	-54.2	-0.8	0	0	0	111.3	H599 K600 P648 V649	H599-D651 CarbonylContact C-O 3.54Å; H599-D651 WeakPolarHBondContact CA-O 3.29Å; K600-D651 WeakPolarHBondContact CG-O 3.34Å; K600-D651 PolarHBondContact N-O 3.41Å; P648-D651 VanDerWaalsContact CD-OD2 3.25Å; P648-D651 WeakPolarHBondContact CD-OD2 3.18Å; P648-D651 VanDerWaalsContact CG-OD2 3.32Å; P648-D651 WeakPolarHBondContact CG-OD2 3.24Å; P648-D651 PolarHBondContact O-N 3.23Å; P648-D651 VanDerWaalsContact O-N 3.13Å; V649-D651 PolarHBondContact O-N 3.37Å; V649-D651 VanDerWaalsContact O-N 3.09Å
652	Y	97.4	Very high	94.7	Very high	24 Å²	24	56.6 Å²	56.6	9%	0.094	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	157.2	-173.7	-61.4	-78.3	0	0	0	113.2	F597 Y598 H599 K600 L606 I632 L636 L641 A646 G647 P648 V649 S650	F597-Y652 HydrophobicContact CB-CD1 4.43Å; Y598-Y652 CarbonylContact O-C 3.45Å; Y598-Y652 VanDerWaalsContact O-CA 3.3Å; Y598-Y652 WeakPolarHBondContact O-CA 3.48Å; H599-Y652 HydrophobicContact CB-CD1 4.23Å; H599-Y652 HydrophobicContact CB-CE1 4.02Å; K600-Y652 WeakPolarHBondContact CE-O 3.43Å; L606-Y652 HydrophobicContact CB-CD1 4.1Å; L606-Y652 HydrophobicContact CB-CE1 3.75Å; L606-Y652 HydrophobicContact CD2-CD1 4.07Å; L606-Y652 HydrophobicContact CD2-CD2 4.39Å; L606-Y652 HydrophobicContact CD2-CE1 3.77Å; L606-Y652 HydrophobicContact CD2-CE2 4.1Å; L606-Y652 HydrophobicContact CD2-CG 4.38Å; L606-Y652 HydrophobicContact CG-CE1 4.35Å; I632-Y652 WeakPolarHBondContact CD1-O 3.35Å; L636-Y652 HydrophobicContact CD2-CD2 4.17Å; L636-Y652 HydrophobicContact CD2-CG 4.26Å; L641-Y652 HydrophobicContact CD2-CE2 4.37Å; A646-Y652 HydrophobicContact CB-CE2 4.13Å; G647-Y652 PolarHBondContact N-OH 2.88Å; G647-Y652 VanDerWaalsContact N-OH 3.1Å; P648-Y652 WeakPolarHBondContact O-CD2 3.49Å; V649-Y652 PolarHBondContact O-N 3.47Å; S650-Y652 VanDerWaalsContact C-N 3.31Å
653	V	96.7	Very high	94.7	Very high	65 Å²	65	48 Å²	48	39%	0.394	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.6	163.7	-66.7	0	0	0	0	109.5	F597 Y598 K600	F597-V653 CarbonylContact C-O 3.43Å; F597-V653 WeakPolarHBondContact CA-O 3.45Å; F597-V653 WeakPolarHBondContact CB-O 3.22Å; Y598-V653 PolarHBondContact N-O 3.27Å; Y598-V653 PolarHBondContact O-N 2.85Å; K600-V653 HydrophobicContact CD-CG1 4.34Å; K600-V653 VanDerWaalsContact CE-CG1 3.45Å; K600-V653 HydrophobicContact CG-CG1 3.91Å
654	R	95.8	Very high	94.6	Very high	78 Å²	78	42.5 Å²	42.5	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	149.1	171.7	65.9	-179.2	173.5	-151.7	-2.6	110.9	F597 W627 W628	F597-R654 HydrophobicContact CD1-CB 4.38Å; W627-R654 HydrophobicContact CH2-CB 4.33Å; W627-R654 HydrophobicContact CZ2-CB 3.79Å; W627-R654 PolarHBondContact O-NH1 2.97Å; W628-R654 PolarHBondContact O-NH1 3.02Å; W628-R654 PolarHBondContact O-NH2 3.34Å
655	G	95.1	Very high	94.7	Very high	2 Å²	2	41.6 Å²	41.6	2%	0.021	22%	0.222	C	C	.	.			trans	-72.8	153.6	163.6	0	0	0	0	0	112.1	V596 W627	V596-G655 PolarHBondContact O-N 3.34Å; W627-G655 WeakPolarHBondContact CZ2-O 3.37Å; W627-G655 PolarHBondContact NE1-O 2.75Å
656	E	94.3	Very high	94.8	Very high	125 Å²	125	32.1 Å²	32.1	58%	0.584	18%	0.18	S	C	*	.			trans	-114.3	-2.3	-179.8	-56.2	-166.8	141	0	0	113	W628	W628-E656 HydrophobicContact CH2-CB 4.02Å; W628-E656 HydrophobicContact CH2-CG 4.43Å; W628-E656 HydrophobicContact CZ3-CB 4.27Å; W628-E656 HydrophobicContact CZ3-CG 4.2Å
657	D	95.1	Very high	94.9	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.107	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-69.1	137.1	173.1	-68.1	-50.9	0	0	0	111.7	R586 Q587 I594	R586-D657 WeakPolarHBondContact O-CA 3.45Å; Q587-D657 PolarHBondContact NE2-OD1 3.36Å; I594-D657 HydrophobicContact CD1-CB 3.97Å; I594-D657 HydrophobicContact CG1-CB 4.36Å; I594-D657 PolarHBondContact N-O 3.11Å
658	V	96.1	Very high	95.1	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	163.5	164.8	-63.6	0	0	0	0	111.5	S585 R586 R588 G591 V592 P593	S585-V658 CarbonylContact C-O 3.56Å; S585-V658 WeakPolarHBondContact CA-O 3.45Å; R586-V658 HydrophobicContact CB-CG2 4.16Å; R586-V658 PolarHBondContact N-O 3.47Å; R586-V658 PolarHBondContact O-N 2.96Å; R588-V658 HydrophobicContact CB-CG2 4.09Å; R588-V658 VanDerWaalsContact O-CG1 3.24Å; R588-V658 WeakPolarHBondContact O-CG1 3.38Å; R588-V658 WeakPolarHBondContact O-CG2 3.47Å; G591-V658 WeakPolarHBondContact O-CG1 3.44Å; V592-V658 CarbonylContact O-C 3.54Å; V592-V658 WeakPolarHBondContact O-CA 3.17Å; P593-V658 HydrophobicContact CG-CG1 4.42Å
659	L	95.6	Very high	95.2	Very high	4 Å²	4	26 Å²	26	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	152.5	176.3	-71.3	166.9	0	0	0	112.6	Q286 L287 F290 I584 V592 I594 F663	Q286-L659 HydrophobicContact CG-CD1 4.48Å; L287-L659 HydrophobicContact CD2-CD1 4.15Å; F290-L659 HydrophobicContact CD2-CD2 3.94Å; F290-L659 HydrophobicContact CE2-CD2 4Å; I584-L659 HydrophobicContact CD1-CD2 4.16Å; I584-L659 CarbonylContact O-C 3.57Å; I584-L659 VanDerWaalsContact O-CA 3.31Å; I584-L659 WeakPolarHBondContact O-CA 3.37Å; V592-L659 HydrophobicContact CB-CD1 4.27Å; V592-L659 HydrophobicContact CG1-CD1 4.23Å; V592-L659 PolarHBondContact O-N 3.11Å; I594-L659 HydrophobicContact CD1-CD2 4.16Å; I594-L659 HydrophobicContact CG1-CD2 3.8Å; I594-L659 HydrophobicContact CG1-CG 3.94Å; L659-F663 HydrophobicContact CD1-CD1 4.06Å; L659-F663 HydrophobicContact CD1-CE1 4.32Å; L659-F663 HydrophobicContact CD2-CD1 4.14Å
660	D	91.9	Very high	95.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-65.9	132.3	170.6	-177.4	-14.9	0	0	0	111.2	W582 I584 R586 W662 F663 D664	W582-D660 PolarHBondContact NE1-OD2 3.45Å; I584-D660 HydrophobicContact CB-CB 4.48Å; I584-D660 PolarHBondContact O-N 3.4Å; R586-D660 IonicContact CZ-OD2 3.96Å; R586-D660 IonicContact NH1-OD2 2.56Å; R586-D660 IonicContact NH2-OD1 2.83Å; R586-D660 PolarHBondContact NH2-OD1 2.93Å; R586-D660 IonicContact NH2-OD2 3.69Å; R586-D660 PolarHBondContact NH2-OD2 2.57Å; D660-W662 PolarHBondContact O-N 2.79Å; D660-W662 VanDerWaalsContact O-N 3.07Å; D660-W662 WeakPolarHBondContact OD1-CB 3.38Å; D660-W662 VanDerWaalsContact OD1-CD1 3.25Å; D660-W662 PolarHBondContact OD1-N 3.29Å; D660-F663 WeakPolarHBondContact O-CA 3.36Å; D660-F663 VanDerWaalsContact O-CB 3.25Å; D660-F663 WeakPolarHBondContact O-CB 3.42Å; D660-F663 PolarHBondContact O-N 3.28Å; D660-D664 PolarHBondContact O-N 3.49Å; D660-D664 VanDerWaalsContact O-N 3.14Å
661	I	91.9	Very high	95	Very high	18 Å²	18	24.9 Å²	24.9	9%	0.092	13%	0.131	C	C	.	.	H	α-helix	trans	-55.2	-25.7	176.1	61.2	174.5	0	0	0	113.8	Y182 H221 F663 D664 S665	Y182-I661 HydrophobicContact CE2-CD1 4.05Å; H221-I661 HydrophobicContact CB-CG2 4.3Å; H221-I661 WeakPolarHBondContact O-CG2 3.43Å; I661-F663 VanDerWaalsContact C-N 3.26Å; I661-F663 PolarHBondContact O-N 3.49Å; I661-D664 PolarHBondContact O-N 3.16Å; I661-S665 WeakPolarHBondContact O-CB 3.33Å; I661-S665 PolarHBondContact O-N 3.06Å; I661-S665 PolarHBondContact O-OG 3.01Å
662	W	92.6	Very high	94.8	Very high	50 Å²	50	23.2 Å²	23.2	19%	0.189	12%	0.122	C	C	.	.	H	α-helix	trans	-71.2	-22.9	172.6	-65.8	112.7	0	0	0	112.8	A319 W582 D660 G666 W693 S696	A319-W662 HydrophobicContact CB-CZ2 4.3Å; W582-W662 HydrophobicContact CH2-CB 4.5Å; W582-W662 HydrophobicContact CZ2-CB 3.73Å; D660-W662 PolarHBondContact O-N 2.79Å; D660-W662 VanDerWaalsContact O-N 3.07Å; D660-W662 WeakPolarHBondContact OD1-CB 3.38Å; D660-W662 VanDerWaalsContact OD1-CD1 3.25Å; D660-W662 PolarHBondContact OD1-N 3.29Å; W662-G666 VanDerWaalsContact O-CA 3.27Å; W662-G666 WeakPolarHBondContact O-CA 3.26Å; W662-G666 PolarHBondContact O-N 3.46Å; W662-W693 HydrophobicContact CZ3-CB 4.33Å; W662-S696 WeakPolarHBondContact O-CB 3.22Å; W662-S696 PolarHBondContact O-OG 3.09Å
663	F	95.6	Very high	94.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-83.8	-35.9	171.2	-165.3	-96.3	0	0	0	111.1	Q286 V289 F290 M293 I545 W582 L659 D660 I661 A667 T700	Q286-F663 HydrophobicContact CG-CD1 3.96Å; Q286-F663 HydrophobicContact CG-CE1 3.89Å; V289-F663 HydrophobicContact CG1-CZ 3.99Å; F290-F663 HydrophobicContact CB-CE1 4.01Å; F290-F663 HydrophobicContact CB-CZ 4.06Å; F290-F663 HydrophobicContact CD2-CE1 4.27Å; F290-F663 HydrophobicContact CD2-CZ 4.37Å; M293-F663 HydrophobicContact SD-CE2 3.92Å; M293-F663 HydrophobicContact SD-CZ 4.3Å; I545-F663 HydrophobicContact CD1-CD2 3.75Å; I545-F663 HydrophobicContact CD1-CE2 3.71Å; W582-F663 HydrophobicContact CH2-CB 4Å; W582-F663 AromaticContact CH2-CD2 3.86Å; W582-F663 HydrophobicContact CH2-CD2 3.86Å; W582-F663 HydrophobicContact CH2-CG 4.43Å; W582-F663 HydrophobicContact CZ2-CB 3.89Å; W582-F663 HydrophobicContact CZ2-CD2 4.41Å; W582-F663 HydrophobicContact CZ3-CD2 4.3Å; L659-F663 HydrophobicContact CD1-CD1 4.06Å; L659-F663 HydrophobicContact CD1-CE1 4.32Å; L659-F663 HydrophobicContact CD2-CD1 4.14Å; D660-F663 WeakPolarHBondContact O-CA 3.36Å; D660-F663 VanDerWaalsContact O-CB 3.25Å; D660-F663 WeakPolarHBondContact O-CB 3.42Å; D660-F663 PolarHBondContact O-N 3.28Å; I661-F663 VanDerWaalsContact C-N 3.26Å; I661-F663 PolarHBondContact O-N 3.49Å; F663-A667 VanDerWaalsContact O-CB 3.24Å; F663-A667 WeakPolarHBondContact O-CB 3.43Å; F663-A667 PolarHBondContact O-N 2.78Å; F663-T700 HydrophobicContact CD2-CG2 3.9Å; F663-T700 HydrophobicContact CE2-CG2 3.73Å
664	D	94.4	Very high	93.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.9	-66.4	169.7	-68.7	33.6	0	0	0	110.8	H221 T277 Y282 Q286 D660 I661 G666 A667	H221-D664 IonicContact CE1-OD2 3.58Å; H221-D664 IonicContact CG-OD2 2.8Å; H221-D664 IonicContact ND1-OD2 2.72Å; H221-D664 PolarHBondContact ND1-OD2 3.45Å; T277-D664 HydrophobicContact CG2-CB 4.28Å; Y282-D664 PolarHBondContact OH-O 2.98Å; Q286-D664 VanDerWaalsContact NE2-CG 3.35Å; Q286-D664 PolarHBondContact NE2-OD1 3.16Å; D660-D664 PolarHBondContact O-N 3.49Å; D660-D664 VanDerWaalsContact O-N 3.14Å; I661-D664 PolarHBondContact O-N 3.16Å; D664-G666 VanDerWaalsContact C-N 3.28Å; D664-G666 PolarHBondContact O-N 3.11Å; D664-A667 PolarHBondContact O-N 3.12Å; D664-A667 VanDerWaalsContact O-N 3.09Å
665	S	94.9	Very high	92.1	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-39	177.8	59.2	0	0	0	0	111.9	I661 A667 S668 W693	I661-S665 WeakPolarHBondContact O-CB 3.33Å; I661-S665 PolarHBondContact O-N 3.06Å; I661-S665 PolarHBondContact O-OG 3.01Å; S665-A667 PolarHBondContact O-N 3.06Å; S665-S668 VanDerWaalsContact O-CB 3.29Å; S665-S668 WeakPolarHBondContact O-CB 3.44Å; S665-S668 PolarHBondContact O-N 3.48Å; S665-S668 VanDerWaalsContact O-N 3.14Å; S665-S668 PolarHBondContact O-OG 3.03Å; S665-W693 PolarHBondContact O-NE1 3.21Å
666	G	95.8	Very high	90.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.1	-11.6	176.9	0	0	0	0	0	115.2	W662 D664 W669 S696 T700	W662-G666 VanDerWaalsContact O-CA 3.27Å; W662-G666 WeakPolarHBondContact O-CA 3.26Å; W662-G666 PolarHBondContact O-N 3.46Å; D664-G666 VanDerWaalsContact C-N 3.28Å; D664-G666 PolarHBondContact O-N 3.11Å; G666-W669 PolarHBondContact O-NE1 3.4Å; G666-S696 VanDerWaalsContact CA-OG 3.3Å; G666-S696 WeakPolarHBondContact CA-OG 3.32Å; G666-T700 PolarHBondContact O-OG1 2.92Å
667	A	96.2	Very high	89.6	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.008	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.5	172.5	0	0	0	0	0	113.5	Q286 F663 D664 S665 W669 A670	Q286-A667 HydrophobicContact CB-CB 4.02Å; Q286-A667 HydrophobicContact CG-CB 3.81Å; F663-A667 VanDerWaalsContact O-CB 3.24Å; F663-A667 WeakPolarHBondContact O-CB 3.43Å; F663-A667 PolarHBondContact O-N 2.78Å; D664-A667 PolarHBondContact O-N 3.12Å; D664-A667 VanDerWaalsContact O-N 3.09Å; S665-A667 PolarHBondContact O-N 3.06Å; A667-W669 PolarHBondContact O-N 2.86Å; A667-A670 VanDerWaalsContact O-CB 3.24Å; A667-A670 WeakPolarHBondContact O-CB 3.09Å; A667-A670 PolarHBondContact O-N 2.93Å
668	S	96.8	Very high	88.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-52.3	-33.9	-175.8	55.3	0	0	0	0	114.6	H177 Y282 S665 A670 A671 V672 W693	H177-S668 WeakPolarHBondContact NE2-CB 3.47Å; H177-S668 PolarHBondContact NE2-OG 2.76Å; Y282-S668 WeakPolarHBondContact OH-CA 3.45Å; Y282-S668 VanDerWaalsContact OH-CB 3.23Å; Y282-S668 WeakPolarHBondContact OH-CB 3.26Å; Y282-S668 PolarHBondContact OH-N 3.3Å; Y282-S668 VanDerWaalsContact OH-N 3.16Å; S665-S668 VanDerWaalsContact O-CB 3.29Å; S665-S668 WeakPolarHBondContact O-CB 3.44Å; S665-S668 PolarHBondContact O-N 3.48Å; S665-S668 VanDerWaalsContact O-N 3.14Å; S665-S668 PolarHBondContact O-OG 3.03Å; S668-A670 PolarHBondContact O-N 2.65Å; S668-A670 VanDerWaalsContact O-N 3.12Å; S668-A671 PolarHBondContact O-N 2.95Å; S668-A671 VanDerWaalsContact O-N 3.16Å; S668-V672 WeakPolarHBondContact O-CB 3.46Å; S668-V672 WeakPolarHBondContact O-CG2 3.37Å; S668-V672 PolarHBondContact O-N 3.08Å; S668-W693 PolarHBondContact OG-NE1 3.25Å
669	W	95.9	Very high	88.5	Confident	3 Å²	3	32 Å²	32	1%	0.011	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-18.8	175.6	61.7	-102.4	0	0	0	114.1	V289 G666 A667 L673 T700 S701 V704 R705 P709	V289-W669 HydrophobicContact CG1-CZ2 4.2Å; V289-W669 HydrophobicContact CG2-CH2 3.67Å; V289-W669 HydrophobicContact CG2-CZ2 3.95Å; V289-W669 HydrophobicContact CG2-CZ3 4.4Å; G666-W669 PolarHBondContact O-NE1 3.4Å; A667-W669 PolarHBondContact O-N 2.86Å; W669-L673 HydrophobicContact CB-CD1 3.89Å; W669-L673 HydrophobicContact CB-CG 4.38Å; W669-L673 WeakPolarHBondContact O-CB 3.39Å; W669-T700 PolarHBondContact NE1-OG1 3.49Å; W669-S701 VanDerWaalsContact CZ2-CA 3.49Å; W669-V704 HydrophobicContact CH2-CB 3.69Å; W669-V704 HydrophobicContact CH2-CG1 3.85Å; W669-V704 HydrophobicContact CH2-CG2 3.99Å; W669-V704 HydrophobicContact CZ2-CB 4.33Å; W669-V704 HydrophobicContact CZ2-CG2 4.41Å; W669-V704 HydrophobicContact CZ3-CG1 4.43Å; W669-R705 VanDerWaalsContact CE3-NH1 3.31Å; W669-R705 HydrophobicContact CH2-CG 4.43Å; W669-R705 HydrophobicContact CZ3-CG 4.07Å; W669-R705 VanDerWaalsContact CZ3-CZ 3.44Å; W669-R705 VanDerWaalsContact CZ3-NE 3.33Å; W669-R705 PolarHBondContact O-NH1 3Å; W669-P709 HydrophobicContact CB-CB 3.75Å; W669-P709 HydrophobicContact CG-CB 3.83Å; W669-P709 HydrophobicContact CG-CG 4.37Å
670	A	94.6	Very high	88.5	Confident	29 Å²	29	31.8 Å²	31.8	24%	0.24	18%	0.175	C	C	.	.	H	α-helix	trans	-90.1	-25.5	179.3	0	0	0	0	0	112.8	V289 A667 S668	V289-A670 HydrophobicContact CG2-CB 3.43Å; V289-A670 VanDerWaalsContact CG2-CB 3.43Å; A667-A670 VanDerWaalsContact O-CB 3.24Å; A667-A670 WeakPolarHBondContact O-CB 3.09Å; A667-A670 PolarHBondContact O-N 2.93Å; S668-A670 PolarHBondContact O-N 2.65Å; S668-A670 VanDerWaalsContact O-N 3.12Å
671	A	92.3	Very high	88.8	Confident	43 Å²	43	33.6 Å²	33.6	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-92.3	-34.4	177.4	0	0	0	0	0	112.7	Y282 A285 S668	Y282-A671 HydrophobicContact CD2-CB 3.42Å; Y282-A671 VanDerWaalsContact CD2-CB 3.42Å; Y282-A671 HydrophobicContact CE2-CB 3.77Å; Y282-A671 HydrophobicContact CG-CB 3.99Å; A285-A671 HydrophobicContact CB-CB 3.94Å; S668-A671 PolarHBondContact O-N 2.95Å; S668-A671 VanDerWaalsContact O-N 3.16Å
672	V	92.3	Very high	89.1	Confident	17 Å²	17	32.8 Å²	32.8	10%	0.103	18%	0.181	C	C	.	.	S	Bend	trans	-109.4	-26.1	-164.5	-173.7	0	0	0	0	114.4	I215 Y275 Y282 S668	I215-V672 HydrophobicContact CB-CG1 4.18Å; I215-V672 HydrophobicContact CD1-CG1 4.24Å; Y275-V672 HydrophobicContact CD1-CB 4.45Å; Y275-V672 HydrophobicContact CD1-CG1 3.99Å; Y275-V672 HydrophobicContact CD1-CG2 3.55Å; Y275-V672 HydrophobicContact CD2-CG2 3.91Å; Y275-V672 HydrophobicContact CE1-CG1 4.21Å; Y275-V672 HydrophobicContact CE1-CG2 3.88Å; Y275-V672 HydrophobicContact CE2-CG2 4.21Å; Y275-V672 HydrophobicContact CG-CG2 3.56Å; Y282-V672 HydrophobicContact CE2-CG2 4.48Å; S668-V672 WeakPolarHBondContact O-CB 3.46Å; S668-V672 WeakPolarHBondContact O-CG2 3.37Å; S668-V672 PolarHBondContact O-N 3.08Å
673	L	91.1	Very high	89.3	Confident	11 Å²	11	30.4 Å²	30.4	6%	0.058	17%	0.172	C	C	.	.	S	Bend	trans	-90.5	130	-179.3	-57.5	-177.2	0	0	0	111.9	H177 W669 E675 A680	H177-L673 HydrophobicContact CB-CD2 4.2Å; W669-L673 HydrophobicContact CB-CD1 3.89Å; W669-L673 HydrophobicContact CB-CG 4.38Å; W669-L673 WeakPolarHBondContact O-CB 3.39Å; L673-E675 PolarHBondContact O-N 2.82Å; L673-A680 HydrophobicContact CD1-CB 4.44Å; L673-A680 HydrophobicContact CD2-CB 4.41Å
674	E	74.4	Confident	89.4	Confident	65 Å²	65	30.5 Å²	30.5	30%	0.304	17%	0.172	S	C	.	.			trans	-49.3	133.7	174.9	-61.6	178.5	-173.4	0	0	111.5	K173 S676 D677	K173-E674 IonicContact NZ-OE1 3.51Å; K173-E674 PolarHBondContact NZ-OE1 2.87Å; K173-E674 IonicContact NZ-OE2 2.7Å; K173-E674 PolarHBondContact NZ-OE2 2.84Å; E674-S676 PolarHBondContact O-N 2.8Å; E674-S676 PolarHBondContact OE2-OG 3.2Å; E674-D677 CarbonylContact O-C 3.6Å; E674-D677 PolarHBondContact O-N 3.21Å
675	E	67.1	Low	89.6	Confident	155 Å²	155	31.1 Å²	31.1	72%	0.724	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.7	178.4	-67.8	-164.6	147	0	0	113	K288 L673	K288-E675 IonicContact NZ-OE1 2.92Å; K288-E675 PolarHBondContact NZ-OE1 2.72Å; L673-E675 PolarHBondContact O-N 2.82Å
676	S	68.4	Low	89.6	Confident	100 Å²	100	31.1 Å²	31.1	70%	0.699	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-34.7	179.2	38.3	0	0	0	0	115.7	E674	E674-S676 PolarHBondContact O-N 2.8Å; E674-S676 PolarHBondContact OE2-OG 3.2Å
677	D	68.4	Low	89.4	Confident	74 Å²	74	34.9 Å²	34.9	40%	0.396	19%	0.192	S	C	.	.	S	Bend	trans	-129.4	91.2	163.2	-172.6	4.8	0	0	0	109.1	E674 R679 K711	E674-D677 CarbonylContact O-C 3.6Å; E674-D677 PolarHBondContact O-N 3.21Å; D677-R679 PolarHBondContact O-N 3.15Å; D677-R679 PolarHBondContact OD1-N 3.1Å; D677-K711 IonicContact OD2-NZ 2.8Å; D677-K711 PolarHBondContact OD2-NZ 2.87Å
678	P	76.6	Confident	88.9	Confident	36 Å²	36	38.6 Å²	38.6	23%	0.234	21%	0.212	C	C	.	.			trans	-73.9	22.9	-172.7	30.5	-36.7	0	0	0	114.2	R705	P678-R705 VanDerWaalsContact CB-CZ 3.48Å; P678-R705 PolarHBondContact O-NH1 2.96Å
679	R	92.3	Very high	88.8	Confident	61 Å²	61	40.2 Å²	40.2	23%	0.23	22%	0.22	C	C	.	.	S	Bend	trans	-139	124.6	177.9	-61.3	-179.3	72.6	-160.7	5	111.8	K560 D677 A708 P709 Y710 K711	K560-R679 PolarHBondContact O-NH2 3.15Å; D677-R679 PolarHBondContact O-N 3.15Å; D677-R679 PolarHBondContact OD1-N 3.1Å; R679-A708 WeakPolarHBondContact CD-O 3.32Å; R679-A708 WeakPolarHBondContact CG-O 3.3Å; R679-A708 PolarHBondContact NE-O 3.17Å; R679-P709 CarbonylContact C-O 3.56Å; R679-P709 VanDerWaalsContact CA-O 3.27Å; R679-P709 WeakPolarHBondContact CA-O 3.28Å; R679-Y710 PolarHBondContact NE-O 3.38Å; R679-Y710 PolarHBondContact NH2-O 3.03Å; R679-K711 HydrophobicContact CB-CG 4.17Å; R679-K711 WeakPolarHBondContact O-CE 3.27Å; R679-K711 PolarHBondContact O-NZ 2.87Å
680	A	96.4	Very high	88.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	150	166.8	0	0	0	0	0	111.3	C175 H177 L673 Y683 P709 Y710 K711	C175-A680 CarbonylContact O-C 3.56Å; H177-A680 HydrophobicContact CB-CB 3.76Å; L673-A680 HydrophobicContact CD1-CB 4.44Å; L673-A680 HydrophobicContact CD2-CB 4.41Å; A680-Y683 HydrophobicContact CB-CD1 3.98Å; A680-Y683 HydrophobicContact CB-CE1 3.84Å; A680-P709 PolarHBondContact N-O 3.24Å; A680-Y710 CarbonylContact O-C 3.54Å; A680-Y710 WeakPolarHBondContact O-CA 3.48Å; A680-K711 WeakPolarHBondContact O-CG 3.38Å; A680-K711 PolarHBondContact O-N 3.38Å
681	D	97.1	Very high	88.2	Confident	39 Å²	39	40.5 Å²	40.5	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-36.4	173.9	-64.3	-68.8	0	0	0	111.6	F174 C175 K711 A712	F174-D681 WeakPolarHBondContact CA-OD2 3.39Å; F174-D681 HydrophobicContact CD2-CB 3.64Å; F174-D681 HydrophobicContact CE2-CB 3.56Å; F174-D681 HydrophobicContact CZ-CB 4.46Å; C175-D681 PolarHBondContact N-OD2 3.1Å; C175-D681 PolarHBondContact O-N 3.26Å; D681-K711 VanDerWaalsContact OD1-CD 3.25Å; D681-K711 WeakPolarHBondContact OD1-CD 3.16Å; D681-K711 WeakPolarHBondContact OD1-CE 3.23Å; D681-K711 IonicContact OD1-NZ 2.85Å; D681-K711 PolarHBondContact OD1-NZ 2.84Å; D681-K711 IonicContact OD2-NZ 3.78Å; D681-A712 WeakPolarHBondContact O-CB 3.37Å; D681-A712 PolarHBondContact O-N 3.05Å
682	A	97.5	Very high	88.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146	172.8	0	0	0	0	0	112.9	F174 C175 H177 V684 A712 F838	F174-A682 HydrophobicContact CZ-CB 4.39Å; C175-A682 PolarHBondContact O-N 3.43Å; H177-A682 PolarHBondContact N-O 2.74Å; A682-V684 HydrophobicContact CB-CG2 4.23Å; A682-A712 WeakPolarHBondContact CA-O 3.35Å; A682-F838 HydrophobicContact CB-CZ 3.98Å
683	Y	98.3	Very high	88.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	145.2	150.6	-71.1	21	0	0	0	107.7	H177 A680 W693 F694 Y710 A712 L713 V714	H177-Y683 HydrophobicContact CB-CD1 3.8Å; H177-Y683 HydrophobicContact CB-CE1 3.54Å; H177-Y683 AromaticContact CD2-CE1 3.76Å; H177-Y683 AromaticContact CD2-CZ 3.6Å; H177-Y683 PolarHBondContact CD2-OH 2.83Å; A680-Y683 HydrophobicContact CB-CD1 3.98Å; A680-Y683 HydrophobicContact CB-CE1 3.84Å; Y683-W693 HydrophobicContact CD1-CH2 4.31Å; Y683-W693 HydrophobicContact CD2-CD2 4.28Å; Y683-W693 AromaticContact CD2-CE3 3.58Å; Y683-W693 HydrophobicContact CD2-CE3 3.58Å; Y683-W693 AromaticContact CD2-CH2 3.3Å; Y683-W693 HydrophobicContact CD2-CH2 3.3Å; Y683-W693 HydrophobicContact CD2-CZ2 4.02Å; Y683-W693 AromaticContact CD2-CZ3 3.05Å; Y683-W693 HydrophobicContact CD2-CZ3 3.05Å; Y683-W693 HydrophobicContact CE1-CH2 4.35Å; Y683-W693 HydrophobicContact CE2-CD2 4.16Å; Y683-W693 AromaticContact CE2-CE2 3.95Å; Y683-W693 AromaticContact CE2-CE3 3.91Å; Y683-W693 HydrophobicContact CE2-CE3 3.91Å; Y683-W693 AromaticContact CE2-CH2 3.29Å; Y683-W693 HydrophobicContact CE2-CH2 3.29Å; Y683-W693 AromaticContact CE2-CZ2 3.54Å; Y683-W693 HydrophobicContact CE2-CZ2 3.54Å; Y683-W693 AromaticContact CE2-CZ3 3.51Å; Y683-W693 HydrophobicContact CE2-CZ3 3.51Å; Y683-W693 AromaticContact CG-CH2 3.83Å; Y683-W693 HydrophobicContact CG-CH2 3.83Å; Y683-W693 AromaticContact CG-CZ3 3.66Å; Y683-W693 HydrophobicContact CG-CZ3 3.66Å; Y683-W693 AromaticContact CZ-CH2 3.86Å; Y683-F694 HydrophobicContact CD2-CD1 4.05Å; Y683-F694 HydrophobicContact CD2-CE1 4.34Å; Y683-Y710 AromaticContact CD1-CD1 3.98Å; Y683-Y710 HydrophobicContact CD1-CD1 3.98Å; Y683-Y710 HydrophobicContact CD1-CG 4.27Å; Y683-Y710 AromaticContact CD2-CD1 3.61Å; Y683-Y710 HydrophobicContact CD2-CD1 3.61Å; Y683-Y710 HydrophobicContact CD2-CE1 4.16Å; Y683-Y710 AromaticContact CE1-CD1 3.93Å; Y683-Y710 HydrophobicContact CE1-CD1 3.93Å; Y683-Y710 HydrophobicContact CE1-CG 4.44Å; Y683-Y710 AromaticContact CE2-CD1 3.63Å; Y683-Y710 HydrophobicContact CE2-CD1 3.63Å; Y683-Y710 HydrophobicContact CE2-CE1 4.13Å; Y683-Y710 AromaticContact CG-CD1 3.83Å; Y683-Y710 HydrophobicContact CG-CD1 3.83Å; Y683-Y710 HydrophobicContact CG-CG 4.3Å; Y683-Y710 AromaticContact CZ-CD1 3.79Å; Y683-A712 PolarHBondContact N-O 3.17Å; Y683-A712 VanDerWaalsContact N-O 3.08Å; Y683-L713 HydrophobicContact CG-CD2 4.42Å; Y683-V714 PolarHBondContact O-N 3.14Å
684	V	97.8	Very high	88.5	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	96.8	-174.1	-177.3	0	0	0	0	110	L176 N194 L197 K198 A682 V714 F838	L176-V684 HydrophobicContact CD1-CG2 3.99Å; L176-V684 HydrophobicContact CG-CG2 4.41Å; N194-V684 PolarHBondContact ND2-O 3.19Å; N194-V684 VanDerWaalsContact ND2-O 3.13Å; L197-V684 HydrophobicContact CB-CG1 4.47Å; K198-V684 WeakPolarHBondContact CE-O 3.24Å; K198-V684 HydrophobicContact CG-CB 4.09Å; K198-V684 HydrophobicContact CG-CG1 4.38Å; A682-V684 HydrophobicContact CB-CG2 4.23Å; V684-V714 WeakPolarHBondContact CA-O 3.08Å; V684-V714 HydrophobicContact CB-CB 4.31Å; V684-V714 HydrophobicContact CG1-CB 4.1Å; V684-V714 HydrophobicContact CG1-CG1 4.3Å; V684-V714 HydrophobicContact CG2-CB 4.02Å; V684-V714 HydrophobicContact CG2-CG2 4.09Å; V684-F838 HydrophobicContact CG2-CE1 4.11Å
685	E	97.4	Very high	89.4	Confident	12 Å²	12	34.8 Å²	34.8	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	176.3	-175.1	-48.8	-56.2	150.8	0	0	113.7	G179 N194 K198 Q689 W693 F694 V714 V715 H716	G179-E685 WeakPolarHBondContact CA-OE1 3.3Å; G179-E685 PolarHBondContact N-OE1 2.77Å; N194-E685 PolarHBondContact ND2-OE2 3.34Å; K198-E685 WeakPolarHBondContact CE-OE1 3.4Å; K198-E685 VanDerWaalsContact NZ-CD 3.26Å; K198-E685 IonicContact NZ-OE1 3.46Å; K198-E685 PolarHBondContact NZ-OE1 2.8Å; K198-E685 IonicContact NZ-OE2 2.59Å; K198-E685 PolarHBondContact NZ-OE2 3.29Å; E685-Q689 HydrophobicContact CB-CB 3.99Å; E685-Q689 HydrophobicContact CB-CG 3.8Å; E685-Q689 HydrophobicContact CG-CG 4.42Å; E685-W693 HydrophobicContact CG-CE3 3.69Å; E685-W693 HydrophobicContact CG-CZ3 3.76Å; E685-F694 HydrophobicContact CB-CE1 3.87Å; E685-F694 HydrophobicContact CB-CE2 4.39Å; E685-F694 HydrophobicContact CB-CZ 3.57Å; E685-F694 HydrophobicContact CG-CE1 3.73Å; E685-F694 HydrophobicContact CG-CZ 3.98Å; E685-V714 PolarHBondContact N-O 2.96Å; E685-V715 CarbonylContact O-C 3.54Å; E685-V715 WeakPolarHBondContact O-CA 3.41Å; E685-H716 PolarHBondContact O-CD2 3.24Å; E685-H716 VanDerWaalsContact O-CD2 3.31Å; E685-H716 PolarHBondContact O-N 2.88Å
686	G	94.4	Very high	90.7	Very high	5 Å²	5	27.4 Å²	27.4	5%	0.052	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	157.8	175.8	0	0	0	0	0	113.9	D688 Q689 H716	G686-D688 WeakPolarHBondContact CA-OD1 3.31Å; G686-D688 PolarHBondContact O-N 3.4Å; G686-D688 VanDerWaalsContact O-N 3.14Å; G686-Q689 WeakPolarHBondContact O-CB 3.42Å; G686-Q689 PolarHBondContact O-N 3.44Å; G686-H716 CarbonylContact C-O 3.57Å; G686-H716 WeakPolarHBondContact CA-O 3.25Å; G686-H716 PolarHBondContact N-NE2 2.66Å
687	K	92.1	Very high	92.1	Very high	79 Å²	79	22.7 Å²	22.7	34%	0.343	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-61.1	-17.5	179.9	65.7	174	-172.8	172.3	0	115.3	Q689 L690 V715 H716 F718 E769	K687-Q689 VanDerWaalsContact C-N 3.27Å; K687-L690 HydrophobicContact CB-CD1 4.31Å; K687-L690 WeakPolarHBondContact O-CB 3.46Å; K687-L690 VanDerWaalsContact O-CD1 3.28Å; K687-L690 WeakPolarHBondContact O-CD1 3.48Å; K687-L690 WeakPolarHBondContact O-CG 3.23Å; K687-V715 HydrophobicContact CB-CG1 3.94Å; K687-H716 PolarHBondContact N-O 3.33Å; K687-F718 HydrophobicContact CD-CE2 4.4Å; K687-F718 HydrophobicContact CG-CE2 4.27Å; K687-F718 HydrophobicContact CG-CZ 4.23Å; K687-E769 IonicContact NZ-OE1 3.11Å; K687-E769 PolarHBondContact NZ-OE1 3.26Å; K687-E769 IonicContact NZ-OE2 3.86Å
688	D	87.1	Confident	93.5	Very high	78 Å²	78	19.2 Å²	19.2	42%	0.417	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	-60	-35.9	167.4	49.1	-57.8	0	0	0	112.4	G686 L690 G691 F718	G686-D688 WeakPolarHBondContact CA-OD1 3.31Å; G686-D688 PolarHBondContact O-N 3.4Å; G686-D688 VanDerWaalsContact O-N 3.14Å; D688-L690 PolarHBondContact O-N 2.92Å; D688-L690 VanDerWaalsContact O-N 3.09Å; D688-G691 PolarHBondContact O-N 2.98Å; D688-F718 HydrophobicContact CB-CE1 4.08Å; D688-F718 HydrophobicContact CB-CZ 3.99Å; D688-F718 WeakPolarHBondContact OD1-CE1 3.49Å
689	Q	93.6	Very high	94.4	Very high	35 Å²	35	17.6 Å²	17.6	16%	0.164	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-73.4	-2.7	-176.1	-58.2	-54.4	-35.9	0	0	114.2	E685 G686 K687 G691 G692 W693 F694	E685-Q689 HydrophobicContact CB-CB 3.99Å; E685-Q689 HydrophobicContact CB-CG 3.8Å; E685-Q689 HydrophobicContact CG-CG 4.42Å; G686-Q689 WeakPolarHBondContact O-CB 3.42Å; G686-Q689 PolarHBondContact O-N 3.44Å; K687-Q689 VanDerWaalsContact C-N 3.27Å; Q689-G691 VanDerWaalsContact C-N 3.31Å; Q689-G691 PolarHBondContact O-N 3.47Å; Q689-G692 CarbonylContact O-C 3.56Å; Q689-G692 PolarHBondContact O-N 3.21Å; Q689-W693 HydrophobicContact CB-CB 4.4Å; Q689-W693 PolarHBondContact O-N 3.41Å; Q689-F694 VanDerWaalsContact C-CD2 3.48Å; Q689-F694 HydrophobicContact CB-CD2 4.02Å; Q689-F694 HydrophobicContact CB-CE2 4.04Å; Q689-F694 HydrophobicContact CB-CG 4.34Å; Q689-F694 HydrophobicContact CB-CZ 4.39Å; Q689-F694 VanDerWaalsContact O-CB 3.26Å; Q689-F694 WeakPolarHBondContact O-CB 3.45Å; Q689-F694 WeakPolarHBondContact O-CD2 3.29Å; Q689-F694 WeakPolarHBondContact O-CG 3.33Å; Q689-F694 PolarHBondContact O-N 3.02Å
690	L	91.7	Very high	94.6	Very high	13 Å²	13	14.7 Å²	14.7	7%	0.068	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-60.8	-38	169.6	-62.2	171.5	0	0	0	112.3	A568 L572 M575 K687 D688 F694 V715	A568-L690 HydrophobicContact CB-CD2 4.15Å; L572-L690 HydrophobicContact CD1-CD2 4.1Å; L572-L690 HydrophobicContact CD2-CB 4.2Å; L572-L690 HydrophobicContact CD2-CD2 3.88Å; L572-L690 WeakPolarHBondContact CD2-O 3.18Å; L572-L690 HydrophobicContact CG-CD2 3.75Å; M575-L690 HydrophobicContact CE-CB 4.41Å; M575-L690 HydrophobicContact SD-CB 4.07Å; K687-L690 HydrophobicContact CB-CD1 4.31Å; K687-L690 WeakPolarHBondContact O-CB 3.46Å; K687-L690 VanDerWaalsContact O-CD1 3.28Å; K687-L690 WeakPolarHBondContact O-CD1 3.48Å; K687-L690 WeakPolarHBondContact O-CG 3.23Å; D688-L690 PolarHBondContact O-N 2.92Å; D688-L690 VanDerWaalsContact O-N 3.09Å; L690-F694 HydrophobicContact CD2-CD2 4.05Å; L690-F694 HydrophobicContact CD2-CE2 4.33Å; L690-V715 HydrophobicContact CD1-CG1 4.32Å; L690-V715 HydrophobicContact CD2-CG1 4Å; L690-V715 HydrophobicContact CD2-CG2 4.08Å; L690-V715 HydrophobicContact CG-CG1 4.19Å
691	G	85.7	Confident	94.6	Very high	25 Å²	25	14.8 Å²	14.8	26%	0.258	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-28.7	173.4	0	0	0	0	0	113.3	D688 Q689	D688-G691 PolarHBondContact O-N 2.98Å; Q689-G691 VanDerWaalsContact C-N 3.31Å; Q689-G691 PolarHBondContact O-N 3.47Å
692	G	89.9	Confident	94.6	Very high	5 Å²	5	13 Å²	13	5%	0.052	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-119	176.2	0	0	0	0	0	113.4	Q689 F694 Q695 S696	Q689-G692 CarbonylContact O-C 3.56Å; Q689-G692 PolarHBondContact O-N 3.21Å; G692-F694 PolarHBondContact O-N 2.85Å; G692-Q695 PolarHBondContact O-N 3.46Å; G692-S696 PolarHBondContact O-N 3.11Å
693	W	95.5	Very high	94.5	Very high	6 Å²	6	13.4 Å²	13.4	2%	0.023	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-33.9	-161.4	-173.1	63	0	0	0	115.8	H177 W662 S665 S668 Y683 E685 Q689 S696 S697	H177-W693 AromaticContact CD2-CH2 3.53Å; H177-W693 AromaticContact CD2-CZ2 3.38Å; H177-W693 WeakPolarHBondContact CD2-CZ2 3.35Å; H177-W693 AromaticContact NE2-CZ2 3.63Å; W662-W693 HydrophobicContact CZ3-CB 4.33Å; S665-W693 PolarHBondContact O-NE1 3.21Å; S668-W693 PolarHBondContact OG-NE1 3.25Å; Y683-W693 HydrophobicContact CD1-CH2 4.31Å; Y683-W693 HydrophobicContact CD2-CD2 4.28Å; Y683-W693 AromaticContact CD2-CE3 3.58Å; Y683-W693 HydrophobicContact CD2-CE3 3.58Å; Y683-W693 AromaticContact CD2-CH2 3.3Å; Y683-W693 HydrophobicContact CD2-CH2 3.3Å; Y683-W693 HydrophobicContact CD2-CZ2 4.02Å; Y683-W693 AromaticContact CD2-CZ3 3.05Å; Y683-W693 HydrophobicContact CD2-CZ3 3.05Å; Y683-W693 HydrophobicContact CE1-CH2 4.35Å; Y683-W693 HydrophobicContact CE2-CD2 4.16Å; Y683-W693 AromaticContact CE2-CE2 3.95Å; Y683-W693 AromaticContact CE2-CE3 3.91Å; Y683-W693 HydrophobicContact CE2-CE3 3.91Å; Y683-W693 AromaticContact CE2-CH2 3.29Å; Y683-W693 HydrophobicContact CE2-CH2 3.29Å; Y683-W693 AromaticContact CE2-CZ2 3.54Å; Y683-W693 HydrophobicContact CE2-CZ2 3.54Å; Y683-W693 AromaticContact CE2-CZ3 3.51Å; Y683-W693 HydrophobicContact CE2-CZ3 3.51Å; Y683-W693 AromaticContact CG-CH2 3.83Å; Y683-W693 HydrophobicContact CG-CH2 3.83Å; Y683-W693 AromaticContact CG-CZ3 3.66Å; Y683-W693 HydrophobicContact CG-CZ3 3.66Å; Y683-W693 AromaticContact CZ-CH2 3.86Å; E685-W693 HydrophobicContact CG-CE3 3.69Å; E685-W693 HydrophobicContact CG-CZ3 3.76Å; Q689-W693 HydrophobicContact CB-CB 4.4Å; Q689-W693 PolarHBondContact O-N 3.41Å; W693-S696 PolarHBondContact O-OG 3.36Å; W693-S697 PolarHBondContact NE1-OG 2.8Å; W693-S697 WeakPolarHBondContact O-CB 3.24Å; W693-S697 PolarHBondContact O-N 2.84Å; W693-S697 PolarHBondContact O-OG 3.22Å
694	F	96.4	Very high	94.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-43.5	174.9	-60.2	-37.5	0	0	0	110.7	L572 Y683 E685 Q689 L690 G692 L698 Y710 L713 V715	L572-F694 HydrophobicContact CD2-CB 4.42Å; Y683-F694 HydrophobicContact CD2-CD1 4.05Å; Y683-F694 HydrophobicContact CD2-CE1 4.34Å; E685-F694 HydrophobicContact CB-CE1 3.87Å; E685-F694 HydrophobicContact CB-CE2 4.39Å; E685-F694 HydrophobicContact CB-CZ 3.57Å; E685-F694 HydrophobicContact CG-CE1 3.73Å; E685-F694 HydrophobicContact CG-CZ 3.98Å; Q689-F694 VanDerWaalsContact C-CD2 3.48Å; Q689-F694 HydrophobicContact CB-CD2 4.02Å; Q689-F694 HydrophobicContact CB-CE2 4.04Å; Q689-F694 HydrophobicContact CB-CG 4.34Å; Q689-F694 HydrophobicContact CB-CZ 4.39Å; Q689-F694 VanDerWaalsContact O-CB 3.26Å; Q689-F694 WeakPolarHBondContact O-CB 3.45Å; Q689-F694 WeakPolarHBondContact O-CD2 3.29Å; Q689-F694 WeakPolarHBondContact O-CG 3.33Å; Q689-F694 PolarHBondContact O-N 3.02Å; L690-F694 HydrophobicContact CD2-CD2 4.05Å; L690-F694 HydrophobicContact CD2-CE2 4.33Å; G692-F694 PolarHBondContact O-N 2.85Å; F694-L698 VanDerWaalsContact O-CB 3.28Å; F694-L698 WeakPolarHBondContact O-CB 3.49Å; F694-L698 PolarHBondContact O-N 3.41Å; F694-Y710 PolarHBondContact O-OH 2.87Å; F694-L713 HydrophobicContact CB-CD1 4.35Å; F694-L713 HydrophobicContact CD1-CD2 3.57Å; F694-L713 HydrophobicContact CD2-CD1 4.46Å; F694-L713 HydrophobicContact CE1-CD2 3.78Å; F694-L713 HydrophobicContact CG-CD1 4.26Å; F694-L713 HydrophobicContact CG-CD2 4.05Å; F694-L713 HydrophobicContact CZ-CD2 4.41Å; F694-V715 HydrophobicContact CE2-CG1 4.4Å; F694-V715 HydrophobicContact CE2-CG2 3.89Å; F694-V715 HydrophobicContact CZ-CG2 4.41Å
695	Q	93.7	Very high	94.1	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.019	9%	0.093	C	C	.	.	H	α-helix	trans	-73.8	-42.6	-178.7	-173.5	176.1	108.9	0	0	112.1	M575 L576 G692 L698 L699	M575-Q695 VanDerWaalsContact CB-NE2 3.29Å; L576-Q695 HydrophobicContact CD2-CG 4.02Å; G692-Q695 PolarHBondContact O-N 3.46Å; Q695-L698 PolarHBondContact O-N 2.94Å; Q695-L699 HydrophobicContact CG-CD1 3.87Å; Q695-L699 HydrophobicContact CG-CG 4.31Å; Q695-L699 WeakPolarHBondContact O-CB 3.24Å; Q695-L699 VanDerWaalsContact O-CG 3.32Å; Q695-L699 WeakPolarHBondContact O-CG 3.43Å; Q695-L699 PolarHBondContact O-N 3.23Å
696	S	95.4	Very high	93.9	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-45.4	178.6	67	0	0	0	0	111.5	W662 G666 G692 W693 L698 L699 T700	W662-S696 WeakPolarHBondContact O-CB 3.22Å; W662-S696 PolarHBondContact O-OG 3.09Å; G666-S696 VanDerWaalsContact CA-OG 3.3Å; G666-S696 WeakPolarHBondContact CA-OG 3.32Å; G692-S696 PolarHBondContact O-N 3.11Å; W693-S696 PolarHBondContact O-OG 3.36Å; S696-L698 VanDerWaalsContact C-N 3.31Å; S696-L698 PolarHBondContact O-N 2.82Å; S696-L699 PolarHBondContact O-N 3.07Å; S696-T700 WeakPolarHBondContact O-CG2 3.47Å; S696-T700 PolarHBondContact O-N 2.9Å; S696-T700 PolarHBondContact O-OG1 3.08Å
697	S	97.2	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-39.7	173.2	-63.9	0	0	0	0	112.8	W693 T700 S701	W693-S697 PolarHBondContact NE1-OG 2.8Å; W693-S697 WeakPolarHBondContact O-CB 3.24Å; W693-S697 PolarHBondContact O-N 2.84Å; W693-S697 PolarHBondContact O-OG 3.22Å; S697-T700 PolarHBondContact O-OG1 2.87Å; S697-S701 WeakPolarHBondContact O-CB 3.47Å; S697-S701 PolarHBondContact O-N 3.46Å; S697-S701 VanDerWaalsContact O-N 3.11Å
698	L	96.8	Very high	94	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-64.6	-47.7	175.8	-177.4	61.5	0	0	0	111.7	A554 A557 L558 L576 F694 Q695 S696 V702 A708	A554-L698 HydrophobicContact CB-CD2 4.12Å; A554-L698 HydrophobicContact CB-CG 4.2Å; A557-L698 HydrophobicContact CB-CD1 4.3Å; L558-L698 HydrophobicContact CB-CD2 4.5Å; L576-L698 HydrophobicContact CD1-CD2 4.07Å; F694-L698 VanDerWaalsContact O-CB 3.28Å; F694-L698 WeakPolarHBondContact O-CB 3.49Å; F694-L698 PolarHBondContact O-N 3.41Å; Q695-L698 PolarHBondContact O-N 2.94Å; S696-L698 VanDerWaalsContact C-N 3.31Å; S696-L698 PolarHBondContact O-N 2.82Å; L698-V702 HydrophobicContact CD1-CG2 3.87Å; L698-V702 HydrophobicContact CG-CG2 4.4Å; L698-V702 VanDerWaalsContact O-CB 3.22Å; L698-V702 WeakPolarHBondContact O-CB 3.48Å; L698-V702 WeakPolarHBondContact O-CG2 3.49Å; L698-V702 PolarHBondContact O-N 3.02Å; L698-A708 HydrophobicContact CD1-CB 3.6Å
699	L	96.1	Very high	94.5	Very high	2 Å²	2	19 Å²	19	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-66.2	-46.1	-175.7	-72.6	169.6	0	0	0	112	T547 L550 A554 L576 W582 Q695 S696 A703	T547-L699 HydrophobicContact CG2-CD1 3.9Å; T547-L699 HydrophobicContact CG2-CD2 4.44Å; L550-L699 HydrophobicContact CB-CD2 4.16Å; L550-L699 HydrophobicContact CD1-CD2 4.49Å; A554-L699 HydrophobicContact CB-CD2 4.44Å; L576-L699 HydrophobicContact CD2-CD2 4.04Å; L576-L699 HydrophobicContact CD2-CG 4.44Å; W582-L699 HydrophobicContact CE3-CD1 4.33Å; Q695-L699 HydrophobicContact CG-CD1 3.87Å; Q695-L699 HydrophobicContact CG-CG 4.31Å; Q695-L699 WeakPolarHBondContact O-CB 3.24Å; Q695-L699 VanDerWaalsContact O-CG 3.32Å; Q695-L699 WeakPolarHBondContact O-CG 3.43Å; Q695-L699 PolarHBondContact O-N 3.23Å; S696-L699 PolarHBondContact O-N 3.07Å; L699-A703 VanDerWaalsContact O-CB 3.26Å; L699-A703 WeakPolarHBondContact O-CB 3.43Å; L699-A703 PolarHBondContact O-N 3.12Å
700	T	96.8	Very high	94.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.9	-45.4	177.6	55.3	0	0	0	0	111.5	V289 M293 W582 F663 G666 W669 S696 S697 V702 A703 V704	V289-T700 HydrophobicContact CG1-CG2 4.45Å; M293-T700 HydrophobicContact SD-CG2 4.24Å; W582-T700 HydrophobicContact CZ3-CG2 4.46Å; F663-T700 HydrophobicContact CD2-CG2 3.9Å; F663-T700 HydrophobicContact CE2-CG2 3.73Å; G666-T700 PolarHBondContact O-OG1 2.92Å; W669-T700 PolarHBondContact NE1-OG1 3.49Å; S696-T700 WeakPolarHBondContact O-CG2 3.47Å; S696-T700 PolarHBondContact O-N 2.9Å; S696-T700 PolarHBondContact O-OG1 3.08Å; S697-T700 PolarHBondContact O-OG1 2.87Å; T700-V702 PolarHBondContact O-N 3.07Å; T700-A703 PolarHBondContact O-N 2.83Å; T700-V704 PolarHBondContact O-N 3.26Å
701	S	96.4	Very high	94.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-68.6	-33.1	179.1	-177.5	0	0	0	0	112.6	W669 S697 R705 N706 K707	W669-S701 VanDerWaalsContact CZ2-CA 3.49Å; S697-S701 WeakPolarHBondContact O-CB 3.47Å; S697-S701 PolarHBondContact O-N 3.46Å; S697-S701 VanDerWaalsContact O-N 3.11Å; S701-R705 CarbonylContact O-C 3.46Å; S701-R705 VanDerWaalsContact O-CA 3.3Å; S701-R705 WeakPolarHBondContact O-CA 3.46Å; S701-R705 WeakPolarHBondContact O-CB 3.47Å; S701-R705 PolarHBondContact O-N 3.41Å; S701-N706 PolarHBondContact O-N 2.76Å; S701-K707 CarbonylContact C-O 3.51Å; S701-K707 VanDerWaalsContact C-O 3.28Å; S701-K707 WeakPolarHBondContact CB-O 3.46Å; S701-K707 PolarHBondContact OG-O 2.9Å
702	V	96.1	Very high	95.5	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.018	9%	0.092	C	C	.	.	H	α-helix	trans	-72.3	-37.7	173.2	168.8	0	0	0	0	111.2	K553 A557 L698 T700 N706	K553-V702 HydrophobicContact CB-CG1 3.56Å; A557-V702 HydrophobicContact CB-CG2 3.82Å; L698-V702 HydrophobicContact CD1-CG2 3.87Å; L698-V702 HydrophobicContact CG-CG2 4.4Å; L698-V702 VanDerWaalsContact O-CB 3.22Å; L698-V702 WeakPolarHBondContact O-CB 3.48Å; L698-V702 WeakPolarHBondContact O-CG2 3.49Å; L698-V702 PolarHBondContact O-N 3.02Å; T700-V702 PolarHBondContact O-N 3.07Å; V702-N706 WeakPolarHBondContact O-CA 3.35Å; V702-N706 PolarHBondContact O-N 3.43Å; V702-N706 VanDerWaalsContact O-N 3.12Å
703	A	96	Very high	95.8	Very high	8 Å²	8	18.6 Å²	18.6	7%	0.066	9%	0.09	C	C	.	.	H	α-helix	trans	-64.8	-37.9	174.6	0	0	0	0	0	113.4	M293 K296 L298 L550 L699 T700	M293-A703 HydrophobicContact CE-CB 3.62Å; M293-A703 HydrophobicContact CG-CB 3.74Å; M293-A703 HydrophobicContact SD-CB 3.79Å; K296-A703 WeakPolarHBondContact CD-O 3.37Å; K296-A703 PolarHBondContact NZ-O 2.95Å; L298-A703 HydrophobicContact CD1-CB 3.64Å; L550-A703 HydrophobicContact CD1-CB 3.91Å; L550-A703 HydrophobicContact CD2-CB 3.82Å; L699-A703 VanDerWaalsContact O-CB 3.26Å; L699-A703 WeakPolarHBondContact O-CB 3.43Å; L699-A703 PolarHBondContact O-N 3.12Å; T700-A703 PolarHBondContact O-N 2.83Å
704	V	94.8	Very high	95.9	Very high	25 Å²	25	18.7 Å²	18.7	15%	0.152	9%	0.091	C	C	.	.	H	α-helix	trans	-86.5	-65.2	178.7	175.2	0	0	0	0	111.9	V289 E292 M293 K296 W669 T700	V289-V704 HydrophobicContact CB-CG2 4.42Å; V289-V704 HydrophobicContact CG1-CG2 3.91Å; V289-V704 HydrophobicContact CG2-CG2 4.48Å; E292-V704 HydrophobicContact CB-CG2 4.12Å; M293-V704 HydrophobicContact CG-CG2 4.2Å; K296-V704 PolarHBondContact NZ-O 2.98Å; W669-V704 HydrophobicContact CH2-CB 3.69Å; W669-V704 HydrophobicContact CH2-CG1 3.85Å; W669-V704 HydrophobicContact CH2-CG2 3.99Å; W669-V704 HydrophobicContact CZ2-CB 4.33Å; W669-V704 HydrophobicContact CZ2-CG2 4.41Å; W669-V704 HydrophobicContact CZ3-CG1 4.43Å; T700-V704 PolarHBondContact O-N 3.26Å
705	R	92.5	Very high	95.9	Very high	61 Å²	61	19 Å²	19	23%	0.23	9%	0.093	C	C	.	.	H	α-helix	trans	-93.8	-6	-168.8	-59.2	-179.6	165.6	164.1	5.4	114.4	W669 P678 S701 K707	W669-R705 VanDerWaalsContact CE3-NH1 3.31Å; W669-R705 HydrophobicContact CH2-CG 4.43Å; W669-R705 HydrophobicContact CZ3-CG 4.07Å; W669-R705 VanDerWaalsContact CZ3-CZ 3.44Å; W669-R705 VanDerWaalsContact CZ3-NE 3.33Å; W669-R705 PolarHBondContact O-NH1 3Å; P678-R705 VanDerWaalsContact CB-CZ 3.48Å; P678-R705 PolarHBondContact O-NH1 2.96Å; S701-R705 CarbonylContact O-C 3.46Å; S701-R705 VanDerWaalsContact O-CA 3.3Å; S701-R705 WeakPolarHBondContact O-CA 3.46Å; S701-R705 WeakPolarHBondContact O-CB 3.47Å; S701-R705 PolarHBondContact O-N 3.41Å; R705-K707 PolarHBondContact O-N 3.4Å
706	N	93.3	Very high	96	Very high	87 Å²	87	19.4 Å²	19.4	47%	0.465	10%	0.095	S	C	.	.	S	Bend	trans	52	33.6	-172.6	-159.1	88.7	0	0	0	113.6	S701 V702	S701-N706 PolarHBondContact O-N 2.76Å; V702-N706 WeakPolarHBondContact O-CA 3.35Å; V702-N706 PolarHBondContact O-N 3.43Å; V702-N706 VanDerWaalsContact O-N 3.12Å
707	K	93.4	Very high	95.9	Very high	120 Å²	120	19.6 Å²	19.6	52%	0.522	10%	0.096	S	C	.	.	S	Bend	trans	-147.9	153.7	-178.1	-65.9	175.5	-172.6	173.8	0	109.9	S701 R705	S701-K707 CarbonylContact C-O 3.51Å; S701-K707 VanDerWaalsContact C-O 3.28Å; S701-K707 WeakPolarHBondContact CB-O 3.46Å; S701-K707 PolarHBondContact OG-O 2.9Å; R705-K707 PolarHBondContact O-N 3.4Å
708	A	96	Very high	95.7	Very high	2 Å²	2	24 Å²	24	2%	0.017	12%	0.116	C	C	.	.			trans	-72.7	141	166.8	0	0	0	0	0	110.5	A557 V561 R679 L698 Y710	A557-A708 HydrophobicContact CB-CB 4.3Å; V561-A708 HydrophobicContact CG2-CB 3.87Å; R679-A708 WeakPolarHBondContact CD-O 3.32Å; R679-A708 WeakPolarHBondContact CG-O 3.3Å; R679-A708 PolarHBondContact NE-O 3.17Å; L698-A708 HydrophobicContact CD1-CB 3.6Å; A708-Y710 HydrophobicContact CB-CD2 4.21Å; A708-Y710 HydrophobicContact CB-CE2 4.03Å; A708-Y710 PolarHBondContact O-N 3.49Å
709	P	96.9	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-79.5	2.7	-175.9	32.9	-31.7	0	0	0	113.3	W669 R679 A680	W669-P709 HydrophobicContact CB-CB 3.75Å; W669-P709 HydrophobicContact CG-CB 3.83Å; W669-P709 HydrophobicContact CG-CG 4.37Å; R679-P709 CarbonylContact C-O 3.56Å; R679-P709 VanDerWaalsContact CA-O 3.27Å; R679-P709 WeakPolarHBondContact CA-O 3.28Å; A680-P709 PolarHBondContact N-O 3.24Å
710	Y	97.4	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.4	179.9	39.7	-105.2	0	0	0	111.3	V561 R679 A680 Y683 F694 A708 L713	V561-Y710 HydrophobicContact CB-CD2 4.44Å; V561-Y710 HydrophobicContact CB-CE2 4.44Å; V561-Y710 HydrophobicContact CG1-CD2 3.68Å; V561-Y710 HydrophobicContact CG1-CE2 3.83Å; V561-Y710 HydrophobicContact CG2-CD2 3.86Å; V561-Y710 HydrophobicContact CG2-CE2 3.9Å; R679-Y710 PolarHBondContact NE-O 3.38Å; R679-Y710 PolarHBondContact NH2-O 3.03Å; A680-Y710 CarbonylContact O-C 3.54Å; A680-Y710 WeakPolarHBondContact O-CA 3.48Å; Y683-Y710 AromaticContact CD1-CD1 3.98Å; Y683-Y710 HydrophobicContact CD1-CD1 3.98Å; Y683-Y710 HydrophobicContact CD1-CG 4.27Å; Y683-Y710 AromaticContact CD2-CD1 3.61Å; Y683-Y710 HydrophobicContact CD2-CD1 3.61Å; Y683-Y710 HydrophobicContact CD2-CE1 4.16Å; Y683-Y710 AromaticContact CE1-CD1 3.93Å; Y683-Y710 HydrophobicContact CE1-CD1 3.93Å; Y683-Y710 HydrophobicContact CE1-CG 4.44Å; Y683-Y710 AromaticContact CE2-CD1 3.63Å; Y683-Y710 HydrophobicContact CE2-CD1 3.63Å; Y683-Y710 HydrophobicContact CE2-CE1 4.13Å; Y683-Y710 AromaticContact CG-CD1 3.83Å; Y683-Y710 HydrophobicContact CG-CD1 3.83Å; Y683-Y710 HydrophobicContact CG-CG 4.3Å; Y683-Y710 AromaticContact CZ-CD1 3.79Å; F694-Y710 PolarHBondContact O-OH 2.87Å; A708-Y710 HydrophobicContact CB-CD2 4.21Å; A708-Y710 HydrophobicContact CB-CE2 4.03Å; A708-Y710 PolarHBondContact O-N 3.49Å; Y710-L713 HydrophobicContact CD1-CD2 3.78Å; Y710-L713 HydrophobicContact CD2-CD1 4.47Å; Y710-L713 HydrophobicContact CD2-CD2 3.64Å; Y710-L713 HydrophobicContact CD2-CG 3.79Å; Y710-L713 HydrophobicContact CE1-CD2 3.78Å; Y710-L713 HydrophobicContact CE2-CD1 3.77Å; Y710-L713 HydrophobicContact CE2-CD2 3.64Å; Y710-L713 HydrophobicContact CE2-CG 3.59Å; Y710-L713 HydrophobicContact CG-CD2 3.7Å; Y710-L713 HydrophobicContact CG-CG 4.35Å
711	K	96.8	Very high	95	Very high	59 Å²	59	25.3 Å²	25.3	26%	0.257	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-33.6	173.2	-57.3	169	-146.1	167.6	0	111.2	V561 R562 D677 R679 A680 D681	V561-K711 WeakPolarHBondContact CA-O 3.22Å; R562-K711 PolarHBondContact N-O 2.84Å; D677-K711 IonicContact OD2-NZ 2.8Å; D677-K711 PolarHBondContact OD2-NZ 2.87Å; R679-K711 HydrophobicContact CB-CG 4.17Å; R679-K711 WeakPolarHBondContact O-CE 3.27Å; R679-K711 PolarHBondContact O-NZ 2.87Å; A680-K711 WeakPolarHBondContact O-CG 3.38Å; A680-K711 PolarHBondContact O-N 3.38Å; D681-K711 VanDerWaalsContact OD1-CD 3.25Å; D681-K711 WeakPolarHBondContact OD1-CD 3.16Å; D681-K711 WeakPolarHBondContact OD1-CE 3.23Å; D681-K711 IonicContact OD1-NZ 2.85Å; D681-K711 PolarHBondContact OD1-NZ 2.84Å; D681-K711 IonicContact OD2-NZ 3.78Å
712	A	97.3	Very high	94.7	Very high	10 Å²	10	29.4 Å²	29.4	8%	0.083	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152	170	0	0	0	0	0	113.2	R562 D681 A682 Y683	R562-A712 HydrophobicContact CB-CB 4.07Å; R562-A712 CarbonylContact O-C 3.59Å; R562-A712 VanDerWaalsContact O-CA 3.23Å; R562-A712 WeakPolarHBondContact O-CA 3.29Å; D681-A712 WeakPolarHBondContact O-CB 3.37Å; D681-A712 PolarHBondContact O-N 3.05Å; A682-A712 WeakPolarHBondContact CA-O 3.35Å; Y683-A712 PolarHBondContact N-O 3.17Å; Y683-A712 VanDerWaalsContact N-O 3.08Å
713	L	97.7	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.3	164.5	-68.5	-177	0	0	0	109.4	L558 V561 R562 L564 L572 Y683 F694 Y710	L558-L713 HydrophobicContact CD1-CD1 4.49Å; V561-L713 HydrophobicContact CG1-CG 4.09Å; R562-L713 PolarHBondContact O-N 3Å; L564-L713 PolarHBondContact N-O 3.38Å; L572-L713 HydrophobicContact CD1-CD1 3.74Å; Y683-L713 HydrophobicContact CG-CD2 4.42Å; F694-L713 HydrophobicContact CB-CD1 4.35Å; F694-L713 HydrophobicContact CD1-CD2 3.57Å; F694-L713 HydrophobicContact CD2-CD1 4.46Å; F694-L713 HydrophobicContact CE1-CD2 3.78Å; F694-L713 HydrophobicContact CG-CD1 4.26Å; F694-L713 HydrophobicContact CG-CD2 4.05Å; F694-L713 HydrophobicContact CZ-CD2 4.41Å; Y710-L713 HydrophobicContact CD1-CD2 3.78Å; Y710-L713 HydrophobicContact CD2-CD1 4.47Å; Y710-L713 HydrophobicContact CD2-CD2 3.64Å; Y710-L713 HydrophobicContact CD2-CG 3.79Å; Y710-L713 HydrophobicContact CE1-CD2 3.78Å; Y710-L713 HydrophobicContact CE2-CD1 3.77Å; Y710-L713 HydrophobicContact CE2-CD2 3.64Å; Y710-L713 HydrophobicContact CE2-CG 3.59Å; Y710-L713 HydrophobicContact CG-CD2 3.7Å; Y710-L713 HydrophobicContact CG-CG 4.35Å
714	V	97.1	Very high	93.8	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	170.7	-169.5	0	0	0	0	108.1	L564 Y683 V684 E685 F767 F838	L564-V714 HydrophobicContact CB-CG1 4.43Å; L564-V714 HydrophobicContact CD1-CG2 4.3Å; L564-V714 CarbonylContact O-C 3.17Å; L564-V714 WeakPolarHBondContact O-CA 3.43Å; Y683-V714 PolarHBondContact O-N 3.14Å; V684-V714 WeakPolarHBondContact CA-O 3.08Å; V684-V714 HydrophobicContact CB-CB 4.31Å; V684-V714 HydrophobicContact CG1-CB 4.1Å; V684-V714 HydrophobicContact CG1-CG1 4.3Å; V684-V714 HydrophobicContact CG2-CB 4.02Å; V684-V714 HydrophobicContact CG2-CG2 4.09Å; E685-V714 PolarHBondContact N-O 2.96Å; V714-F767 HydrophobicContact CG1-CE1 4.01Å; V714-F838 HydrophobicContact CG1-CD1 4.38Å; V714-F838 HydrophobicContact CG2-CD1 3.89Å; V714-F838 HydrophobicContact CG2-CD2 4.25Å; V714-F838 HydrophobicContact CG2-CE1 3.81Å; V714-F838 HydrophobicContact CG2-CE2 4.19Å; V714-F838 HydrophobicContact CG2-CG 4.12Å; V714-F838 HydrophobicContact CG2-CZ 3.97Å
715	V	96.8	Very high	93.5	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.042	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107	-166.5	-169.6	0	0	0	0	109.1	L564 A568 E685 K687 L690 F694	L564-V715 PolarHBondContact O-N 2.92Å; A568-V715 HydrophobicContact CB-CB 4.31Å; A568-V715 HydrophobicContact CB-CG1 4.46Å; A568-V715 HydrophobicContact CB-CG2 4.05Å; E685-V715 CarbonylContact O-C 3.54Å; E685-V715 WeakPolarHBondContact O-CA 3.41Å; K687-V715 HydrophobicContact CB-CG1 3.94Å; L690-V715 HydrophobicContact CD1-CG1 4.32Å; L690-V715 HydrophobicContact CD2-CG1 4Å; L690-V715 HydrophobicContact CD2-CG2 4.08Å; L690-V715 HydrophobicContact CG-CG1 4.19Å; F694-V715 HydrophobicContact CE2-CG1 4.4Å; F694-V715 HydrophobicContact CE2-CG2 3.89Å; F694-V715 HydrophobicContact CZ-CG2 4.41Å
716	H	95.8	Very high	93.1	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.06	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	156.4	-179.8	65.8	76.8	0	0	0	113	N194 L197 E685 G686 K687 V766	N194-H716 PolarHBondContact ND2-NE2 3.19Å; N194-H716 VanDerWaalsContact ND2-NE2 3.15Å; L197-H716 HydrophobicContact CD1-CB 4.39Å; E685-H716 PolarHBondContact O-CD2 3.24Å; E685-H716 VanDerWaalsContact O-CD2 3.31Å; E685-H716 PolarHBondContact O-N 2.88Å; G686-H716 CarbonylContact C-O 3.57Å; G686-H716 WeakPolarHBondContact CA-O 3.25Å; G686-H716 PolarHBondContact N-NE2 2.66Å; K687-H716 PolarHBondContact N-O 3.33Å; H716-V766 CarbonylContact C-O 3.6Å; H716-V766 WeakPolarHBondContact CA-O 3.38Å; H716-V766 HydrophobicContact CB-CB 4.4Å; H716-V766 WeakPolarHBondContact CB-O 3.4Å
717	G	93.1	Very high	92.6	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	22%	0.215	C	C	.	.			trans	-71	-178	170.2	0	0	0	0	0	112.7	V766 S768	G717-V766 PolarHBondContact N-O 2.83Å; G717-S768 WeakPolarHBondContact CA-O 3.21Å
718	F	92.6	Very high	91.7	Very high	92 Å²	92	39.8 Å²	39.8	40%	0.404	20%	0.202	S	C	.	.			trans	-85.2	154	172.9	-64.1	-54.8	0	0	0	111.1	K687 D688 V720 E769 V770	K687-F718 HydrophobicContact CD-CE2 4.4Å; K687-F718 HydrophobicContact CG-CE2 4.27Å; K687-F718 HydrophobicContact CG-CZ 4.23Å; D688-F718 HydrophobicContact CB-CE1 4.08Å; D688-F718 HydrophobicContact CB-CZ 3.99Å; D688-F718 WeakPolarHBondContact OD1-CE1 3.49Å; F718-V720 HydrophobicContact CB-CG1 4.49Å; F718-E769 PolarHBondContact N-OE2 2.95Å; F718-V770 PolarHBondContact O-N 3.24Å
719	A	92.5	Very high	90.5	Very high	13 Å²	13	48.1 Å²	48.1	11%	0.107	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	133.7	157	0	0	0	0	0	109	V189 M727 W760 V770	V189-A719 HydrophobicContact CB-CB 4.28Å; V189-A719 HydrophobicContact CG2-CB 3.77Å; A719-M727 VanDerWaalsContact C-CE 3.42Å; A719-M727 HydrophobicContact CB-CE 3.74Å; A719-M727 VanDerWaalsContact O-CE 3.26Å; A719-M727 WeakPolarHBondContact O-CE 3.15Å; A719-W760 HydrophobicContact CB-CH2 4.26Å; A719-W760 HydrophobicContact CB-CZ2 4.48Å; A719-V770 CarbonylContact C-O 3.52Å; A719-V770 VanDerWaalsContact CA-O 3.32Å; A719-V770 WeakPolarHBondContact CA-O 3.47Å
720	V	92.3	Very high	88.8	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.9	179.1	-66.7	0	0	0	0	110.2	F718 E725 E769 V770 Q771 I772	F718-V720 HydrophobicContact CB-CG1 4.49Å; V720-E725 WeakPolarHBondContact CB-O 3.29Å; V720-E769 HydrophobicContact CG1-CB 4.13Å; V720-E769 HydrophobicContact CG2-CB 3.88Å; V720-V770 PolarHBondContact N-O 2.95Å; V720-Q771 HydrophobicContact CG2-CG 3.89Å; V720-I772 PolarHBondContact O-N 3.29Å
721	S	90.8	Very high	87.4	Confident	8 Å²	8	59.2 Å²	59.2	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	164.9	176.1	83.7	0	0	0	0	111.4	K723 G724 E725 I772	S721-K723 PolarHBondContact O-N 3.36Å; S721-K723 PolarHBondContact OG-N 3.37Å; S721-G724 WeakPolarHBondContact O-CA 3.45Å; S721-G724 PolarHBondContact O-N 3.46Å; S721-E725 PolarHBondContact N-O 3.28Å; S721-E725 WeakPolarHBondContact OG-CB 3.42Å; S721-E725 PolarHBondContact OG-N 3.23Å; S721-E725 VanDerWaalsContact OG-N 3.15Å; S721-E725 PolarHBondContact OG-OE2 3.38Å; S721-I772 CarbonylContact C-O 3.52Å
722	E	88.6	Confident	86.4	Confident	87 Å²	87	59.7 Å²	59.7	41%	0.407	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-21	173.7	-162.8	164.8	-129.7	0	0	113.8	I772 S775	E722-I772 PolarHBondContact N-O 3.43Å; E722-S775 WeakPolarHBondContact OE1-CA 3.28Å; E722-S775 WeakPolarHBondContact OE1-CB 3.37Å; E722-S775 PolarHBondContact OE1-N 2.62Å
723	K	87	Confident	85.6	Confident	164 Å²	164	60.5 Å²	60.5	71%	0.713	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.6	174.9	-61.6	170.6	-177.1	168.9	0	114	S721 E725	S721-K723 PolarHBondContact O-N 3.36Å; S721-K723 PolarHBondContact OG-N 3.37Å; K723-E725 HydrophobicContact CB-CG 3.97Å; K723-E725 WeakPolarHBondContact CD-OE1 3.35Å; K723-E725 IonicContact NZ-OE1 2.64Å
724	G	87.9	Confident	84.9	Confident	41 Å²	41	63.1 Å²	63.1	42%	0.423	35%	0.346	S	S	.	.	S	Bend	trans	81.5	13.2	-171.3	0	0	0	0	0	114.8	S721	S721-G724 WeakPolarHBondContact O-CA 3.45Å; S721-G724 PolarHBondContact O-N 3.46Å
725	E	87.1	Confident	84.4	Confident	79 Å²	79	64.3 Å²	64.3	37%	0.369	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-82.6	149.8	-179.2	-54.1	153.4	157.1	0	0	111.1	V720 S721 K723 M727	V720-E725 WeakPolarHBondContact CB-O 3.29Å; S721-E725 PolarHBondContact N-O 3.28Å; S721-E725 WeakPolarHBondContact OG-CB 3.42Å; S721-E725 PolarHBondContact OG-N 3.23Å; S721-E725 VanDerWaalsContact OG-N 3.15Å; S721-E725 PolarHBondContact OG-OE2 3.38Å; K723-E725 HydrophobicContact CB-CG 3.97Å; K723-E725 WeakPolarHBondContact CD-OE1 3.35Å; K723-E725 IonicContact NZ-OE1 2.64Å; E725-M727 PolarHBondContact O-N 3.49Å
726	K	84.3	Confident	84.1	Confident	167 Å²	167	66.2 Å²	66.2	73%	0.726	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-62.1	129.3	167.6	-173.9	-179.4	179.8	-176.6	0	109.2	N733	K726-N733 PolarHBondContact O-ND2 2.91Å
727	M	83.6	Confident	84	Confident	36 Å²	36	65.7 Å²	65.7	18%	0.177	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-77.4	136.8	178.3	-69.3	-178.8	-76	0	0	111.6	V189 A719 E725 N733 V734 V735 I772	V189-M727 HydrophobicContact CG2-CE 3.42Å; V189-M727 VanDerWaalsContact CG2-CE 3.42Å; V189-M727 HydrophobicContact CG2-SD 4.11Å; A719-M727 VanDerWaalsContact C-CE 3.42Å; A719-M727 HydrophobicContact CB-CE 3.74Å; A719-M727 VanDerWaalsContact O-CE 3.26Å; A719-M727 WeakPolarHBondContact O-CE 3.15Å; E725-M727 PolarHBondContact O-N 3.49Å; M727-N733 VanDerWaalsContact CA-OD1 3.3Å; M727-N733 WeakPolarHBondContact CA-OD1 3.47Å; M727-N733 WeakPolarHBondContact CG-O 3.49Å; M727-V734 HydrophobicContact CB-CG2 4.44Å; M727-V735 HydrophobicContact SD-CG2 4.44Å; M727-I772 HydrophobicContact CE-CG2 4.36Å; M727-I772 HydrophobicContact SD-CG2 4.27Å
728	S	74.8	Confident	84.1	Confident	36 Å²	36	69.4 Å²	69.4	25%	0.252	38%	0.38	S	S	.	.			trans	-152.7	147.7	172.4	76.3	0	0	0	0	112.2	S730 L731 G732 N733 V734	S728-S730 PolarHBondContact O-N 2.8Å; S728-S730 PolarHBondContact OG-OG 3.15Å; S728-L731 PolarHBondContact O-N 3.43Å; S728-L731 VanDerWaalsContact O-N 3.1Å; S728-L731 WeakPolarHBondContact OG-CG 3.4Å; S728-L731 PolarHBondContact OG-N 3.36Å; S728-G732 PolarHBondContact O-N 2.92Å; S728-N733 PolarHBondContact N-OD1 3.01Å; S728-N733 PolarHBondContact O-OD1 2.56Å; S728-V734 WeakPolarHBondContact O-CG2 3.42Å
729	K	70.5	Confident	84.1	Confident	177 Å²	177	68 Å²	68	77%	0.77	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-60.8	-29.3	-179.7	-66.7	-165.3	177.1	-165.9	0	112.4	G732 V734	K729-G732 PolarHBondContact O-N 2.9Å; K729-V734 HydrophobicContact CG-CG2 4.11Å
730	S	60.8	Low	84.2	Confident	114 Å²	114	67.5 Å²	67.5	80%	0.797	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-74.7	-23.5	177	50.8	0	0	0	0	114.6	S728	S728-S730 PolarHBondContact O-N 2.8Å; S728-S730 PolarHBondContact OG-OG 3.15Å
731	L	68.1	Low	84.4	Confident	118 Å²	118	67 Å²	67	62%	0.618	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-88.6	-6.6	173.7	-69.8	174.8	0	0	0	112.9	S728 N733	S728-L731 PolarHBondContact O-N 3.43Å; S728-L731 VanDerWaalsContact O-N 3.1Å; S728-L731 WeakPolarHBondContact OG-CG 3.4Å; S728-L731 PolarHBondContact OG-N 3.36Å; L731-N733 HydrophobicContact CB-CB 4.46Å; L731-N733 PolarHBondContact O-N 3.17Å; L731-N733 VanDerWaalsContact O-N 3.11Å
732	G	75.6	Confident	84.6	Confident	70 Å²	70	69.7 Å²	69.7	72%	0.722	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	11.4	-176.9	0	0	0	0	0	114.6	S728 K729	S728-G732 PolarHBondContact O-N 2.92Å; K729-G732 PolarHBondContact O-N 2.9Å
733	N	80.1	Confident	84.8	Confident	27 Å²	27	66.2 Å²	66.2	14%	0.144	37%	0.369	C	S	.	.			trans	-101.8	14	-173.4	70.7	-11.1	0	0	0	113.6	K726 M727 S728 L731	K726-N733 PolarHBondContact O-ND2 2.91Å; M727-N733 VanDerWaalsContact CA-OD1 3.3Å; M727-N733 WeakPolarHBondContact CA-OD1 3.47Å; M727-N733 WeakPolarHBondContact CG-O 3.49Å; S728-N733 PolarHBondContact N-OD1 3.01Å; S728-N733 PolarHBondContact O-OD1 2.56Å; L731-N733 HydrophobicContact CB-CB 4.46Å; L731-N733 PolarHBondContact O-N 3.17Å; L731-N733 VanDerWaalsContact O-N 3.11Å
734	V	83.4	Confident	84.9	Confident	55 Å²	55	61.9 Å²	61.9	33%	0.333	35%	0.35	S	S	.	.			trans	-74.1	136.6	175.3	-177.4	0	0	0	0	109.7	M727 S728 K729	M727-V734 HydrophobicContact CB-CG2 4.44Å; S728-V734 WeakPolarHBondContact O-CG2 3.42Å; K729-V734 HydrophobicContact CG-CG2 4.11Å
735	V	86.4	Confident	84.6	Confident	31 Å²	31	70 Å²	70	19%	0.188	38%	0.377	C	S	.	.			trans	-108.3	127.3	167.1	-169.4	0	0	0	0	108.5	V189 M727 I740 I772	V189-V735 HydrophobicContact CG1-CB 4.3Å; V189-V735 HydrophobicContact CG1-CG1 4.46Å; V189-V735 WeakPolarHBondContact CG1-O 3.34Å; M727-V735 HydrophobicContact SD-CG2 4.44Å; V735-I740 HydrophobicContact CG1-CD1 3.67Å; V735-I740 HydrophobicContact CG1-CG1 3.82Å; V735-I772 HydrophobicContact CB-CG2 4.17Å; V735-I772 HydrophobicContact CG1-CD1 4.47Å; V735-I772 HydrophobicContact CG2-CG2 4.01Å
736	D	91.3	Very high	84.5	Confident	48 Å²	48	71.9 Å²	71.9	26%	0.257	39%	0.389	S	S	.	.			trans	-95.8	132	179.9	-163.1	-58.1	0	0	0	111	D738 E739 I740	D736-D738 PolarHBondContact O-N 3.42Å; D736-D738 PolarHBondContact OD1-N 2.84Å; D736-E739 HydrophobicContact CB-CB 4.06Å; D736-E739 HydrophobicContact CB-CG 3.75Å; D736-E739 PolarHBondContact O-N 2.97Å; D736-I740 WeakPolarHBondContact O-CG1 3.47Å; D736-I740 PolarHBondContact O-N 2.88Å; D736-I740 VanDerWaalsContact O-N 3.12Å
737	P	94.1	Very high	84.3	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.006	38%	0.384	C	S	.	.	H	α-helix	trans	-57.6	-31.7	175.4	-25.9	35.6	0	0	0	114.8	V189 A192 W265 I741 L757	V189-P737 HydrophobicContact CG1-CG 4.06Å; A192-P737 HydrophobicContact CB-CG 4.29Å; W265-P737 HydrophobicContact CH2-CG 4.41Å; W265-P737 HydrophobicContact CZ2-CB 3.55Å; W265-P737 HydrophobicContact CZ2-CG 3.81Å; P737-I741 WeakPolarHBondContact O-CG1 3.39Å; P737-I741 PolarHBondContact O-N 3.17Å; P737-L757 HydrophobicContact CB-CD2 4.13Å
738	D	94.3	Very high	84.3	Confident	82 Å²	82	68.8 Å²	68.8	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-73.6	-42.9	179.8	-161.2	81.2	0	0	0	110.9	D736 I740 I741 N742	D736-D738 PolarHBondContact O-N 3.42Å; D736-D738 PolarHBondContact OD1-N 2.84Å; D738-I740 PolarHBondContact O-N 3.04Å; D738-I741 PolarHBondContact O-N 2.87Å; D738-I741 VanDerWaalsContact O-N 3.09Å; D738-N742 WeakPolarHBondContact O-CB 3.11Å; D738-N742 PolarHBondContact O-N 2.93Å; D738-N742 PolarHBondContact OD1-ND2 3.09Å; D738-N742 PolarHBondContact OD2-ND2 3.45Å
739	E	93.4	Very high	84.8	Confident	64 Å²	64	68.8 Å²	68.8	30%	0.299	40%	0.4	S	S	.	.	H	α-helix	trans	-60.6	-31	172.8	-63.6	179.6	157.9	0	0	112.6	D736 G743 K744 V749	D736-E739 HydrophobicContact CB-CB 4.06Å; D736-E739 HydrophobicContact CB-CG 3.75Å; D736-E739 PolarHBondContact O-N 2.97Å; E739-G743 CarbonylContact O-C 3.5Å; E739-G743 WeakPolarHBondContact O-CA 3.34Å; E739-G743 PolarHBondContact O-N 2.84Å; E739-G743 VanDerWaalsContact O-N 3.07Å; E739-K744 HydrophobicContact CG-CG 4.44Å; E739-K744 WeakPolarHBondContact OE1-CE 3.22Å; E739-K744 IonicContact OE1-NZ 3.58Å; E739-K744 PolarHBondContact OE1-NZ 2.85Å; E739-K744 WeakPolarHBondContact OE2-CE 3.2Å; E739-K744 IonicContact OE2-NZ 2.81Å; E739-K744 PolarHBondContact OE2-NZ 2.86Å; E739-V749 WeakPolarHBondContact O-CG1 3.38Å
740	I	94.2	Very high	85.8	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-68	-49.1	172	-67.3	169.1	0	0	0	110.5	V189 V735 D736 D738 Y752 L757 I772 L777	V189-I740 HydrophobicContact CG1-CD1 4.02Å; V735-I740 HydrophobicContact CG1-CD1 3.67Å; V735-I740 HydrophobicContact CG1-CG1 3.82Å; D736-I740 WeakPolarHBondContact O-CG1 3.47Å; D736-I740 PolarHBondContact O-N 2.88Å; D736-I740 VanDerWaalsContact O-N 3.12Å; D738-I740 PolarHBondContact O-N 3.04Å; I740-Y752 HydrophobicContact CG2-CD2 4.12Å; I740-Y752 HydrophobicContact CG2-CG 4.47Å; I740-Y752 WeakPolarHBondContact O-CB 3.17Å; I740-Y752 WeakPolarHBondContact O-CD2 3.32Å; I740-Y752 PolarHBondContact O-N 3.28Å; I740-L757 HydrophobicContact CD1-CD1 3.79Å; I740-L757 HydrophobicContact CG2-CB 4.28Å; I740-L757 HydrophobicContact CG2-CD1 4.37Å; I740-I772 HydrophobicContact CD1-CD1 3.59Å; I740-L777 HydrophobicContact CD1-CD1 4.1Å; I740-L777 HydrophobicContact CD1-CD2 4.31Å; I740-L777 HydrophobicContact CG1-CD1 3.87Å; I740-L777 HydrophobicContact CG2-CD1 4.27Å; I740-L777 HydrophobicContact CG2-CD2 3.96Å
741	I	96	Very high	87.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-70.7	-56.2	-172.7	-69.2	174.8	0	0	0	109.9	L146 R264 W265 P737 D738 A751 Y752 G753 A754 L757	L146-I741 HydrophobicContact CD2-CG2 4.34Å; L146-I741 VanDerWaalsContact CD2-O 3.26Å; L146-I741 WeakPolarHBondContact CD2-O 3.23Å; R264-I741 VanDerWaalsContact NH2-CG2 3.31Å; W265-I741 HydrophobicContact CG-CD1 4.44Å; P737-I741 WeakPolarHBondContact O-CG1 3.39Å; P737-I741 PolarHBondContact O-N 3.17Å; D738-I741 PolarHBondContact O-N 2.87Å; D738-I741 VanDerWaalsContact O-N 3.09Å; I741-A751 WeakPolarHBondContact O-CA 3.43Å; I741-Y752 PolarHBondContact O-N 2.99Å; I741-G753 PolarHBondContact O-N 3Å; I741-G753 VanDerWaalsContact O-N 3.14Å; I741-A754 HydrophobicContact CD1-CB 4.16Å; I741-L757 HydrophobicContact CD1-CD2 3.91Å; I741-L757 HydrophobicContact CG1-CD2 4.24Å
742	N	95.1	Very high	88.7	Confident	65 Å²	65	53.9 Å²	53.9	35%	0.348	33%	0.326	S	S	.	.	H	α-helix	trans	-86	-18.7	-172	-60.1	-34.8	0	0	0	113.1	D738 A751	D738-N742 WeakPolarHBondContact O-CB 3.11Å; D738-N742 PolarHBondContact O-N 2.93Å; D738-N742 PolarHBondContact OD1-ND2 3.09Å; D738-N742 PolarHBondContact OD2-ND2 3.45Å; N742-A751 WeakPolarHBondContact O-CB 3.45Å
743	G	92.4	Very high	89.7	Confident	15 Å²	15	50.6 Å²	50.6	16%	0.155	29%	0.292	C	S	.	.			trans	79.4	-169.8	-170.7	0	0	0	0	0	112.4	E739 V749	E739-G743 CarbonylContact O-C 3.5Å; E739-G743 WeakPolarHBondContact O-CA 3.34Å; E739-G743 PolarHBondContact O-N 2.84Å; E739-G743 VanDerWaalsContact O-N 3.07Å; G743-V749 CarbonylContact C-O 3.5Å; G743-V749 VanDerWaalsContact CA-O 3.24Å; G743-V749 WeakPolarHBondContact CA-O 3.24Å
744	K	89.6	Confident	90.6	Very high	72 Å²	72	49.3 Å²	49.3	31%	0.313	29%	0.285	S	S	.	.			trans	-115.8	145.5	171	-69.2	-170.2	-166.9	-148.3	0	111.9	E739 D746 G747 V749	E739-K744 HydrophobicContact CG-CG 4.44Å; E739-K744 WeakPolarHBondContact OE1-CE 3.22Å; E739-K744 IonicContact OE1-NZ 3.58Å; E739-K744 PolarHBondContact OE1-NZ 2.85Å; E739-K744 WeakPolarHBondContact OE2-CE 3.2Å; E739-K744 IonicContact OE2-NZ 2.81Å; E739-K744 PolarHBondContact OE2-NZ 2.86Å; K744-D746 WeakPolarHBondContact CB-OD1 3.4Å; K744-D746 PolarHBondContact O-N 3.49Å; K744-G747 PolarHBondContact O-N 2.71Å; K744-V749 HydrophobicContact CB-CB 4.47Å; K744-V749 HydrophobicContact CD-CB 4.45Å; K744-V749 HydrophobicContact CD-CG2 4.03Å; K744-V749 HydrophobicContact CG-CB 4.08Å; K744-V749 HydrophobicContact CG-CG2 4.2Å; K744-V749 PolarHBondContact N-O 3.49Å
745	E	82.1	Confident	91.3	Very high	212 Å²	212	47.2 Å²	47.2	99%	0.991	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.5	175.6	-60	-171.9	153.7	0	0	112.9	G747	E745-G747 PolarHBondContact O-N 2.77Å
746	D	84.1	Confident	91.8	Very high	119 Å²	119	46 Å²	46	64%	0.636	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.8	175.6	72.5	1.7	0	0	0	114.1	K744 S748	K744-D746 WeakPolarHBondContact CB-OD1 3.4Å; K744-D746 PolarHBondContact O-N 3.49Å; D746-S748 VanDerWaalsContact CG-OG 3.3Å; D746-S748 PolarHBondContact O-N 3.01Å; D746-S748 WeakPolarHBondContact OD1-CB 3.45Å; D746-S748 PolarHBondContact OD1-N 3.14Å; D746-S748 PolarHBondContact OD1-OG 3.22Å; D746-S748 PolarHBondContact OD2-OG 3.23Å
747	G	79.9	Confident	92.1	Very high	59 Å²	59	43.8 Å²	43.8	61%	0.608	25%	0.253	S	S	*	.	S	Bend	trans	72.8	4.8	-178.8	0	0	0	0	0	115.4	K744 E745 V749	K744-G747 PolarHBondContact O-N 2.71Å; E745-G747 PolarHBondContact O-N 2.77Å; G747-V749 VanDerWaalsContact C-N 3.31Å; G747-V749 PolarHBondContact O-N 2.99Å
748	S	83.3	Confident	92.3	Very high	78 Å²	78	43.7 Å²	43.7	55%	0.545	25%	0.252	S	S	.	.	S	Bend	trans	-70.8	-25.9	-179.7	65.9	0	0	0	0	113.5	D746	D746-S748 VanDerWaalsContact CG-OG 3.3Å; D746-S748 PolarHBondContact O-N 3.01Å; D746-S748 WeakPolarHBondContact OD1-CB 3.45Å; D746-S748 PolarHBondContact OD1-N 3.14Å; D746-S748 PolarHBondContact OD1-OG 3.22Å; D746-S748 PolarHBondContact OD2-OG 3.23Å
749	V	86.3	Confident	92.5	Very high	37 Å²	37	40 Å²	40	22%	0.224	23%	0.232	C	C	.	.	S	Bend	trans	-123.6	121	171	-175.1	0	0	0	0	108.2	E739 G743 K744 G747 Y752	E739-V749 WeakPolarHBondContact O-CG1 3.38Å; G743-V749 CarbonylContact C-O 3.5Å; G743-V749 VanDerWaalsContact CA-O 3.24Å; G743-V749 WeakPolarHBondContact CA-O 3.24Å; K744-V749 HydrophobicContact CB-CB 4.47Å; K744-V749 HydrophobicContact CD-CB 4.45Å; K744-V749 HydrophobicContact CD-CG2 4.03Å; K744-V749 HydrophobicContact CG-CB 4.08Å; K744-V749 HydrophobicContact CG-CG2 4.2Å; K744-V749 PolarHBondContact N-O 3.49Å; G747-V749 VanDerWaalsContact C-N 3.31Å; G747-V749 PolarHBondContact O-N 2.99Å; V749-Y752 HydrophobicContact CG1-CD2 4.43Å; V749-Y752 HydrophobicContact CG1-CE2 3.96Å
750	P	91.8	Very high	92.7	Very high	67 Å²	67	37.2 Å²	37.2	44%	0.435	22%	0.219	S	C	.	.			trans	-75.1	152	175.5	32.6	-35	0	0	0	110.7	Y752	P750-Y752 HydrophobicContact CG-CD2 4.4Å; P750-Y752 HydrophobicContact CG-CE1 4.12Å; P750-Y752 HydrophobicContact CG-CE2 3.8Å; P750-Y752 WeakPolarHBondContact O-CD2 3.08Å; P750-Y752 WeakPolarHBondContact O-CE2 3.48Å; P750-Y752 PolarHBondContact O-N 3.15Å; P750-Y752 VanDerWaalsContact O-N 3.1Å
751	A	94.2	Very high	92.8	Very high	20 Å²	20	37.1 Å²	37.1	17%	0.165	22%	0.219	C	C	.	.			trans	-65	108.4	170.9	0	0	0	0	0	110.5	L146 I741 N742	L146-A751 HydrophobicContact CD1-CB 4.13Å; L146-A751 HydrophobicContact CD2-CB 4.31Å; L146-A751 HydrophobicContact CG-CB 4.4Å; I741-A751 WeakPolarHBondContact O-CA 3.43Å; N742-A751 WeakPolarHBondContact O-CB 3.45Å
752	Y	96	Very high	92.9	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.035	22%	0.219	C	C	.	.			trans	-88.7	-19.9	178.5	-66.4	-85	0	0	0	113.1	L145 I740 I741 V749 P750 V756 L777 N778 L781	L145-Y752 WeakPolarHBondContact CD2-O 3.44Å; I740-Y752 HydrophobicContact CG2-CD2 4.12Å; I740-Y752 HydrophobicContact CG2-CG 4.47Å; I740-Y752 WeakPolarHBondContact O-CB 3.17Å; I740-Y752 WeakPolarHBondContact O-CD2 3.32Å; I740-Y752 PolarHBondContact O-N 3.28Å; I741-Y752 PolarHBondContact O-N 2.99Å; V749-Y752 HydrophobicContact CG1-CD2 4.43Å; V749-Y752 HydrophobicContact CG1-CE2 3.96Å; P750-Y752 HydrophobicContact CG-CD2 4.4Å; P750-Y752 HydrophobicContact CG-CE1 4.12Å; P750-Y752 HydrophobicContact CG-CE2 3.8Å; P750-Y752 WeakPolarHBondContact O-CD2 3.08Å; P750-Y752 WeakPolarHBondContact O-CE2 3.48Å; P750-Y752 PolarHBondContact O-N 3.15Å; P750-Y752 VanDerWaalsContact O-N 3.1Å; Y752-V756 HydrophobicContact CD1-CG1 4.02Å; Y752-V756 HydrophobicContact CG-CG1 4.21Å; Y752-V756 WeakPolarHBondContact O-CB 3.29Å; Y752-V756 WeakPolarHBondContact O-CG2 3.35Å; Y752-L777 HydrophobicContact CD1-CB 4.09Å; Y752-L777 HydrophobicContact CD2-CB 4.41Å; Y752-L777 HydrophobicContact CD2-CD1 4.29Å; Y752-L777 HydrophobicContact CE1-CB 3.7Å; Y752-L777 HydrophobicContact CE2-CB 4.04Å; Y752-L777 HydrophobicContact CE2-CD1 3.94Å; Y752-L777 HydrophobicContact CG-CB 4.44Å; Y752-N778 PolarHBondContact OH-ND2 2.8Å; Y752-L781 HydrophobicContact CD1-CB 4.36Å; Y752-L781 HydrophobicContact CD1-CD2 4.1Å; Y752-L781 HydrophobicContact CE1-CD2 4.32Å
753	G	96.8	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.215	C	C	.	.			trans	76.9	167.8	-172.9	0	0	0	0	0	114.1	E149 I741	E149-G753 WeakPolarHBondContact OE1-CA 3.47Å; I741-G753 PolarHBondContact O-N 3Å; I741-G753 VanDerWaalsContact O-N 3.14Å
754	A	97.8	Very high	92.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-36.5	-179.5	0	0	0	0	0	112.5	E149 I741 V756 L757 R758	E149-A754 VanDerWaalsContact CD-N 3.3Å; E149-A754 PolarHBondContact OE1-N 3.44Å; E149-A754 PolarHBondContact OE2-N 2.86Å; I741-A754 HydrophobicContact CD1-CB 4.16Å; A754-V756 VanDerWaalsContact C-N 3.29Å; A754-V756 PolarHBondContact O-N 2.89Å; A754-L757 WeakPolarHBondContact O-CB 3.47Å; A754-L757 PolarHBondContact O-N 3.05Å; A754-R758 VanDerWaalsContact O-CG 3.29Å; A754-R758 WeakPolarHBondContact O-CG 3.32Å; A754-R758 PolarHBondContact O-N 2.91Å
755	D	98	Very high	92.1	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-30.2	-177.7	-98.1	15.2	0	0	0	112.9	E149 R758 W759 L899 P900 H901 L902	E149-D755 PolarHBondContact OE1-N 3.45Å; E149-D755 VanDerWaalsContact OE1-N 3.14Å; D755-R758 PolarHBondContact O-N 2.85Å; D755-W759 PolarHBondContact O-N 3.04Å; D755-L899 HydrophobicContact CB-CD2 3.83Å; D755-L899 WeakPolarHBondContact O-CD2 3.48Å; D755-L899 WeakPolarHBondContact OD2-CB 3.32Å; D755-P900 WeakPolarHBondContact OD1-CD 3.36Å; D755-H901 IonicContact OD1-CE1 3.2Å; D755-H901 IonicContact OD1-CG 3.83Å; D755-H901 IonicContact OD1-ND1 2.76Å; D755-H901 PolarHBondContact OD1-ND1 2.81Å; D755-L902 WeakPolarHBondContact OD2-CB 3.03Å; D755-L902 PolarHBondContact OD2-N 3.47Å
756	V	97.8	Very high	92.2	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	18%	0.183	C	C	.	.	H	α-helix	trans	-69.9	-43.1	172.3	174.8	0	0	0	0	111.8	Y752 A754 R758 W759 W760 L777 A780 L781 I784	Y752-V756 HydrophobicContact CD1-CG1 4.02Å; Y752-V756 HydrophobicContact CG-CG1 4.21Å; Y752-V756 WeakPolarHBondContact O-CB 3.29Å; Y752-V756 WeakPolarHBondContact O-CG2 3.35Å; A754-V756 VanDerWaalsContact C-N 3.29Å; A754-V756 PolarHBondContact O-N 2.89Å; V756-R758 PolarHBondContact O-N 3.21Å; V756-W759 PolarHBondContact O-N 3.12Å; V756-W760 PolarHBondContact O-N 3.21Å; V756-L777 HydrophobicContact CG1-CD2 4.22Å; V756-A780 HydrophobicContact CG1-CB 3.9Å; V756-L781 HydrophobicContact CG2-CB 4.1Å; V756-L781 HydrophobicContact CG2-CD1 3.97Å; V756-I784 HydrophobicContact CB-CD1 4.26Å; V756-I784 HydrophobicContact CG2-CD1 3.71Å
757	L	97.7	Very high	92.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-40.2	174.5	179.7	67.2	0	0	0	110.8	A192 I196 W265 P737 I740 I741 A754 W760 V761	A192-L757 HydrophobicContact CB-CD1 4.26Å; A192-L757 HydrophobicContact CB-CD2 4.09Å; A192-L757 HydrophobicContact CB-CG 4.38Å; I196-L757 HydrophobicContact CD1-CD2 4.19Å; I196-L757 HydrophobicContact CD1-CG 4.04Å; W265-L757 HydrophobicContact CG-CD2 4.34Å; P737-L757 HydrophobicContact CB-CD2 4.13Å; I740-L757 HydrophobicContact CD1-CD1 3.79Å; I740-L757 HydrophobicContact CG2-CB 4.28Å; I740-L757 HydrophobicContact CG2-CD1 4.37Å; I741-L757 HydrophobicContact CD1-CD2 3.91Å; I741-L757 HydrophobicContact CG1-CD2 4.24Å; A754-L757 WeakPolarHBondContact O-CB 3.47Å; A754-L757 PolarHBondContact O-N 3.05Å; L757-W760 HydrophobicContact CD1-CE3 3.92Å; L757-W760 HydrophobicContact CD1-CZ3 4.22Å; L757-W760 PolarHBondContact O-N 2.75Å; L757-V761 PolarHBondContact O-N 3.42Å
758	R	98.6	Very high	92.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-37.6	177.9	-64.7	174.1	68.4	100.2	4.2	113.4	I196 D199 W265 G266 A754 D755 V756 V761 A762 P897 I898	I196-R758 HydrophobicContact CD1-CG 3.82Å; I196-R758 HydrophobicContact CG1-CG 4.13Å; I196-R758 HydrophobicContact CG2-CB 4.05Å; I196-R758 HydrophobicContact CG2-CG 3.89Å; D199-R758 IonicContact OD2-CZ 3.22Å; D199-R758 IonicContact OD2-NH1 3.76Å; D199-R758 PolarHBondContact OD2-NH1 2.94Å; D199-R758 IonicContact OD2-NH2 3.44Å; D199-R758 PolarHBondContact OD2-NH2 2.9Å; W265-R758 WeakPolarHBondContact O-CD 3.3Å; W265-R758 PolarHBondContact O-NH1 2.9Å; G266-R758 PolarHBondContact O-NH1 3.47Å; A754-R758 VanDerWaalsContact O-CG 3.29Å; A754-R758 WeakPolarHBondContact O-CG 3.32Å; A754-R758 PolarHBondContact O-N 2.91Å; D755-R758 PolarHBondContact O-N 2.85Å; V756-R758 PolarHBondContact O-N 3.21Å; R758-V761 PolarHBondContact O-N 3.34Å; R758-A762 WeakPolarHBondContact O-CB 3.15Å; R758-A762 PolarHBondContact O-N 2.7Å; R758-P897 PolarHBondContact NH2-O 2.95Å; R758-I898 VanDerWaalsContact CB-O 3.29Å; R758-I898 WeakPolarHBondContact CB-O 3.48Å; R758-I898 PolarHBondContact NE-O 2.94Å
759	W	98.3	Very high	93.2	Very high	3 Å²	3	26.4 Å²	26.4	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-63.1	-43.7	172.7	-175.8	-76.3	0	0	0	112	D755 V756 V761 A762 E763 A780 I784 L787 I844 L847 Q848 L899	D755-W759 PolarHBondContact O-N 3.04Å; V756-W759 PolarHBondContact O-N 3.12Å; W759-V761 VanDerWaalsContact C-N 3.31Å; W759-V761 PolarHBondContact O-N 3.09Å; W759-A762 PolarHBondContact O-N 2.96Å; W759-A762 VanDerWaalsContact O-N 3.1Å; W759-E763 PolarHBondContact NE1-OE2 3.24Å; W759-E763 WeakPolarHBondContact O-CB 3.42Å; W759-E763 PolarHBondContact O-N 2.8Å; W759-A780 HydrophobicContact CB-CB 4.2Å; W759-A780 HydrophobicContact CG-CB 4.01Å; W759-I784 HydrophobicContact CB-CD1 3.76Å; W759-I784 HydrophobicContact CB-CG1 4.3Å; W759-I784 HydrophobicContact CD2-CG1 4.08Å; W759-I784 HydrophobicContact CE3-CG1 3.92Å; W759-I784 HydrophobicContact CG-CD1 4.19Å; W759-I784 HydrophobicContact CG-CG1 4.27Å; W759-L787 HydrophobicContact CZ3-CD2 4.27Å; W759-I844 HydrophobicContact CD2-CD1 3.8Å; W759-I844 HydrophobicContact CD2-CG1 4.47Å; W759-I844 HydrophobicContact CE3-CD1 3.98Å; W759-I844 HydrophobicContact CE3-CG1 4.31Å; W759-I844 HydrophobicContact CG-CD1 4.29Å; W759-I844 HydrophobicContact CH2-CB 4.46Å; W759-I844 HydrophobicContact CH2-CD1 4.27Å; W759-I844 HydrophobicContact CH2-CG1 3.9Å; W759-I844 HydrophobicContact CH2-CG2 3.95Å; W759-I844 HydrophobicContact CZ2-CB 4.35Å; W759-I844 HydrophobicContact CZ2-CD1 4.07Å; W759-I844 HydrophobicContact CZ2-CG1 4.02Å; W759-I844 HydrophobicContact CZ2-CG2 3.46Å; W759-I844 VanDerWaalsContact CZ2-CG2 3.46Å; W759-I844 HydrophobicContact CZ3-CD1 4.22Å; W759-I844 HydrophobicContact CZ3-CG1 4.05Å; W759-L847 HydrophobicContact CH2-CD2 4.02Å; W759-L847 HydrophobicContact CZ3-CD2 3.97Å; W759-Q848 HydrophobicContact CZ2-CG 4.43Å; W759-L899 HydrophobicContact CB-CD2 4.24Å; W759-L899 HydrophobicContact CE3-CD1 3.88Å; W759-L899 HydrophobicContact CE3-CD2 4.22Å; W759-L899 HydrophobicContact CE3-CG 4.23Å; W759-L899 HydrophobicContact CZ3-CD1 4.12Å
760	W	96.9	Very high	93.5	Very high	6 Å²	6	24.8 Å²	24.8	2%	0.023	14%	0.136	C	C	.	.	H	α-helix	trans	-55.8	-45.5	174.6	162.4	73.3	0	0	0	111.8	V189 L193 A719 V756 L757 A762 S764 V770 Q771 I772 L777	V189-W760 HydrophobicContact CB-CH2 4.13Å; V189-W760 HydrophobicContact CB-CZ3 4.45Å; L193-W760 HydrophobicContact CB-CH2 4.29Å; A719-W760 HydrophobicContact CB-CH2 4.26Å; A719-W760 HydrophobicContact CB-CZ2 4.48Å; V756-W760 PolarHBondContact O-N 3.21Å; L757-W760 HydrophobicContact CD1-CE3 3.92Å; L757-W760 HydrophobicContact CD1-CZ3 4.22Å; L757-W760 PolarHBondContact O-N 2.75Å; W760-A762 VanDerWaalsContact C-N 3.34Å; W760-A762 PolarHBondContact O-N 2.7Å; W760-S764 WeakPolarHBondContact O-CB 3.4Å; W760-S764 PolarHBondContact O-N 3.49Å; W760-S764 PolarHBondContact O-OG 2.94Å; W760-V770 HydrophobicContact CH2-CG1 4.35Å; W760-V770 HydrophobicContact CZ2-CB 4.36Å; W760-V770 HydrophobicContact CZ2-CG1 3.46Å; W760-V770 VanDerWaalsContact CZ2-CG1 3.46Å; W760-Q771 PolarHBondContact NE1-O 3.37Å; W760-I772 HydrophobicContact CD2-CD1 3.71Å; W760-I772 HydrophobicContact CD2-CG1 4.06Å; W760-I772 HydrophobicContact CE3-CD1 3.86Å; W760-I772 HydrophobicContact CG-CD1 4.37Å; W760-I772 HydrophobicContact CG-CG1 4.39Å; W760-I772 HydrophobicContact CH2-CD1 3.97Å; W760-I772 HydrophobicContact CZ2-CB 3.65Å; W760-I772 HydrophobicContact CZ2-CD1 3.79Å; W760-I772 HydrophobicContact CZ2-CG1 4.01Å; W760-I772 HydrophobicContact CZ2-CG2 4.38Å; W760-I772 HydrophobicContact CZ3-CD1 4Å; W760-L777 HydrophobicContact CB-CD2 4.45Å
761	V	97.1	Very high	93.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.5	-43.8	174.8	169.1	0	0	0	0	111.9	L193 I196 L197 L757 R758 W759	L193-V761 HydrophobicContact CD1-CG1 4.11Å; I196-V761 HydrophobicContact CB-CB 4.28Å; I196-V761 HydrophobicContact CB-CG1 3.96Å; I196-V761 HydrophobicContact CB-CG2 4.18Å; I196-V761 HydrophobicContact CD1-CG2 3.97Å; I196-V761 HydrophobicContact CG2-CB 3.92Å; I196-V761 HydrophobicContact CG2-CG1 3.75Å; I196-V761 HydrophobicContact CG2-CG2 4.29Å; L197-V761 HydrophobicContact CD1-CG1 4.5Å; L197-V761 HydrophobicContact CD2-CG1 3.69Å; L197-V761 HydrophobicContact CG-CG1 3.62Å; L757-V761 PolarHBondContact O-N 3.42Å; R758-V761 PolarHBondContact O-N 3.34Å; W759-V761 VanDerWaalsContact C-N 3.31Å; W759-V761 PolarHBondContact O-N 3.09Å
762	A	96.9	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-76.5	-36.6	-175.4	0	0	0	0	0	114.2	I200 R758 W759 W760 S764 A840 G841 I844 I898	I200-A762 HydrophobicContact CD1-CB 4.03Å; R758-A762 WeakPolarHBondContact O-CB 3.15Å; R758-A762 PolarHBondContact O-N 2.7Å; W759-A762 PolarHBondContact O-N 2.96Å; W759-A762 VanDerWaalsContact O-N 3.1Å; W760-A762 VanDerWaalsContact C-N 3.34Å; W760-A762 PolarHBondContact O-N 2.7Å; A762-S764 VanDerWaalsContact C-N 3.27Å; A762-S764 PolarHBondContact O-N 2.81Å; A762-A840 HydrophobicContact CB-CB 3.97Å; A762-A840 CarbonylContact O-C 3.39Å; A762-G841 WeakPolarHBondContact O-CA 3.37Å; A762-G841 PolarHBondContact O-N 2.79Å; A762-I844 HydrophobicContact CB-CD1 3.58Å; A762-I898 HydrophobicContact CB-CB 4.34Å; A762-I898 HydrophobicContact CB-CD1 3.91Å; A762-I898 HydrophobicContact CB-CG1 3.87Å; A762-I898 HydrophobicContact CB-CG2 3.53Å
763	E	94.2	Very high	93.3	Very high	57 Å²	57	25.7 Å²	25.7	27%	0.266	13%	0.133	S	C	.	.	H	α-helix	trans	-71.8	-25.3	-178.3	-173.6	159.7	-130.6	0	0	112.1	W759 I844 Q848	W759-E763 PolarHBondContact NE1-OE2 3.24Å; W759-E763 WeakPolarHBondContact O-CB 3.42Å; W759-E763 PolarHBondContact O-N 2.8Å; E763-I844 HydrophobicContact CB-CD1 3.92Å; E763-I844 HydrophobicContact CB-CG2 4.38Å; E763-I844 HydrophobicContact CG-CG2 4.12Å; E763-Q848 PolarHBondContact OE1-NE2 2.99Å
764	S	83.1	Confident	93.1	Very high	23 Å²	23	29.6 Å²	29.6	16%	0.161	16%	0.158	C	C	.	.	S	Bend	trans	-66.4	145.2	-175.8	-68.7	0	0	0	0	114.1	W760 A762 V766 V770	W760-S764 WeakPolarHBondContact O-CB 3.4Å; W760-S764 PolarHBondContact O-N 3.49Å; W760-S764 PolarHBondContact O-OG 2.94Å; A762-S764 VanDerWaalsContact C-N 3.27Å; A762-S764 PolarHBondContact O-N 2.81Å; S764-V766 VanDerWaalsContact C-N 3.28Å; S764-V766 PolarHBondContact O-N 3.01Å; S764-V770 WeakPolarHBondContact OG-CG1 3.37Å
765	N	84.3	Confident	92.8	Very high	102 Å²	102	33.7 Å²	33.7	55%	0.545	19%	0.186	S	C	.	.			trans	-75.5	83	165.9	180	21.7	0	0	0	109.9	F767 S768	N765-F767 PolarHBondContact O-N 3.33Å; N765-S768 PolarHBondContact ND2-OG 3.17Å; N765-S768 PolarHBondContact O-N 3.19Å; N765-S768 PolarHBondContact O-OG 3.01Å
766	V	82.8	Confident	92.6	Very high	13 Å²	13	34.6 Å²	34.6	8%	0.079	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-23.7	-172.1	-59.2	0	0	0	0	114.5	L193 L197 H716 G717 S764 S768	L193-V766 HydrophobicContact CD1-CG1 4.42Å; L197-V766 HydrophobicContact CD1-CB 4.08Å; L197-V766 HydrophobicContact CD1-CG1 3.73Å; L197-V766 HydrophobicContact CD2-CG1 3.8Å; L197-V766 HydrophobicContact CG-CG1 4.38Å; H716-V766 CarbonylContact C-O 3.6Å; H716-V766 WeakPolarHBondContact CA-O 3.38Å; H716-V766 HydrophobicContact CB-CB 4.4Å; H716-V766 WeakPolarHBondContact CB-O 3.4Å; G717-V766 PolarHBondContact N-O 2.83Å; S764-V766 VanDerWaalsContact C-N 3.28Å; S764-V766 PolarHBondContact O-N 3.01Å; V766-S768 PolarHBondContact O-N 3.28Å
767	F	88.6	Confident	92.5	Very high	67 Å²	67	34.6 Å²	34.6	29%	0.294	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	4.9	177.5	-53.2	-51	0	0	0	113.9	L564 P565 V714 N765	L564-F767 HydrophobicContact CB-CE1 4.04Å; L564-F767 HydrophobicContact CB-CZ 4.16Å; P565-F767 HydrophobicContact CB-CB 4.38Å; P565-F767 HydrophobicContact CB-CG 4.36Å; P565-F767 HydrophobicContact CG-CB 4.16Å; P565-F767 HydrophobicContact CG-CD1 4.37Å; P565-F767 HydrophobicContact CG-CG 4.41Å; V714-F767 HydrophobicContact CG1-CE1 4.01Å; N765-F767 PolarHBondContact O-N 3.33Å
768	S	88.9	Confident	92.4	Very high	47 Å²	47	38 Å²	38	33%	0.329	21%	0.214	S	C	.	.	S	Bend	trans	-131.4	176.6	175.9	61.8	0	0	0	0	110.6	G717 N765 V766 V770	G717-S768 WeakPolarHBondContact CA-O 3.21Å; N765-S768 PolarHBondContact ND2-OG 3.17Å; N765-S768 PolarHBondContact O-N 3.19Å; N765-S768 PolarHBondContact O-OG 3.01Å; V766-S768 PolarHBondContact O-N 3.28Å; S768-V770 PolarHBondContact O-N 3.07Å
769	E	91.3	Very high	92.2	Very high	86 Å²	86	40.9 Å²	40.9	40%	0.402	23%	0.234	S	C	.	.			trans	-64.2	133.7	176	-46.2	-55.9	169.2	0	0	110.7	K687 F718 V720	K687-E769 IonicContact NZ-OE1 3.11Å; K687-E769 PolarHBondContact NZ-OE1 3.26Å; K687-E769 IonicContact NZ-OE2 3.86Å; F718-E769 PolarHBondContact N-OE2 2.95Å; V720-E769 HydrophobicContact CG1-CB 4.13Å; V720-E769 HydrophobicContact CG2-CB 3.88Å
770	V	91.8	Very high	92.1	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.8	-172.4	-173.9	0	0	0	0	109.7	L193 F718 A719 V720 W760 S764 S768	L193-V770 HydrophobicContact CD1-CG2 4.23Å; L193-V770 HydrophobicContact CD2-CB 4.25Å; L193-V770 HydrophobicContact CD2-CG2 3.91Å; F718-V770 PolarHBondContact O-N 3.24Å; A719-V770 CarbonylContact C-O 3.52Å; A719-V770 VanDerWaalsContact CA-O 3.32Å; A719-V770 WeakPolarHBondContact CA-O 3.47Å; V720-V770 PolarHBondContact N-O 2.95Å; W760-V770 HydrophobicContact CH2-CG1 4.35Å; W760-V770 HydrophobicContact CZ2-CB 4.36Å; W760-V770 HydrophobicContact CZ2-CG1 3.46Å; W760-V770 VanDerWaalsContact CZ2-CG1 3.46Å; S764-V770 WeakPolarHBondContact OG-CG1 3.37Å; S768-V770 PolarHBondContact O-N 3.07Å
771	Q	93.5	Very high	92.1	Very high	109 Å²	109	42 Å²	42	51%	0.509	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.5	177.4	-68.4	177.5	-30.3	0	0	111.2	V720 W760	V720-Q771 HydrophobicContact CG2-CG 3.89Å; W760-Q771 PolarHBondContact NE1-O 3.37Å
772	I	93.5	Very high	92	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.2	169.3	-160.7	175.6	0	0	0	111.8	V189 V720 S721 E722 M727 V735 I740 W760 L777	V189-I772 HydrophobicContact CB-CD1 4.32Å; V189-I772 HydrophobicContact CG1-CD1 3.71Å; V189-I772 HydrophobicContact CG2-CG2 4.22Å; V720-I772 PolarHBondContact O-N 3.29Å; S721-I772 CarbonylContact C-O 3.52Å; E722-I772 PolarHBondContact N-O 3.43Å; M727-I772 HydrophobicContact CE-CG2 4.36Å; M727-I772 HydrophobicContact SD-CG2 4.27Å; V735-I772 HydrophobicContact CB-CG2 4.17Å; V735-I772 HydrophobicContact CG1-CD1 4.47Å; V735-I772 HydrophobicContact CG2-CG2 4.01Å; I740-I772 HydrophobicContact CD1-CD1 3.59Å; W760-I772 HydrophobicContact CD2-CD1 3.71Å; W760-I772 HydrophobicContact CD2-CG1 4.06Å; W760-I772 HydrophobicContact CE3-CD1 3.86Å; W760-I772 HydrophobicContact CG-CD1 4.37Å; W760-I772 HydrophobicContact CG-CG1 4.39Å; W760-I772 HydrophobicContact CH2-CD1 3.97Å; W760-I772 HydrophobicContact CZ2-CB 3.65Å; W760-I772 HydrophobicContact CZ2-CD1 3.79Å; W760-I772 HydrophobicContact CZ2-CG1 4.01Å; W760-I772 HydrophobicContact CZ2-CG2 4.38Å; W760-I772 HydrophobicContact CZ3-CD1 4Å; I772-L777 HydrophobicContact CD1-CD2 4.42Å; I772-L777 HydrophobicContact CG1-CG 4.48Å
773	G	91.8	Very high	92	Very high	4 Å²	4	47 Å²	47	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	175.7	178.8	178.8	0	0	0	0	0	111.4	S775 A776 L777	G773-S775 VanDerWaalsContact C-N 3.28Å; G773-S775 PolarHBondContact O-N 3.09Å; G773-A776 PolarHBondContact O-N 3.24Å; G773-L777 PolarHBondContact O-N 3.23Å; G773-L777 VanDerWaalsContact O-N 3.14Å
774	P	92.1	Very high	92.1	Very high	81 Å²	81	45.1 Å²	45.1	53%	0.526	26%	0.26	S	S	.	.	H	α-helix	trans	-55.6	-35	-176.9	-28.1	36.7	0	0	0	114.6	N778	P774-N778 WeakPolarHBondContact O-CB 3.17Å; P774-N778 PolarHBondContact O-N 3.09Å; P774-N778 PolarHBondContact O-ND2 2.74Å
775	S	92.7	Very high	92.7	Very high	86 Å²	86	45.2 Å²	45.2	60%	0.601	26%	0.261	S	S	*	.	H	α-helix	trans	-64.9	-46.8	179.1	-169.2	0	0	0	0	111.5	E722 G773 N778 S779	E722-S775 WeakPolarHBondContact OE1-CA 3.28Å; E722-S775 WeakPolarHBondContact OE1-CB 3.37Å; E722-S775 PolarHBondContact OE1-N 2.62Å; G773-S775 VanDerWaalsContact C-N 3.28Å; G773-S775 PolarHBondContact O-N 3.09Å; S775-N778 PolarHBondContact O-N 3.47Å; S775-S779 WeakPolarHBondContact O-CB 3.38Å; S775-S779 PolarHBondContact O-N 3.46Å
776	A	93.5	Very high	93.3	Very high	32 Å²	32	46.3 Å²	46.3	26%	0.264	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-45	178.6	0	0	0	0	0	112	G773 S779 A780	G773-A776 PolarHBondContact O-N 3.24Å; A776-S779 PolarHBondContact O-N 2.88Å; A776-A780 WeakPolarHBondContact O-CB 3.45Å; A776-A780 PolarHBondContact O-N 3.35Å
777	L	95.4	Very high	94	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-38	-179.7	-65.2	170.6	0	0	0	112.5	I740 Y752 V756 W760 I772 G773 L781	I740-L777 HydrophobicContact CD1-CD1 4.1Å; I740-L777 HydrophobicContact CD1-CD2 4.31Å; I740-L777 HydrophobicContact CG1-CD1 3.87Å; I740-L777 HydrophobicContact CG2-CD1 4.27Å; I740-L777 HydrophobicContact CG2-CD2 3.96Å; Y752-L777 HydrophobicContact CD1-CB 4.09Å; Y752-L777 HydrophobicContact CD2-CB 4.41Å; Y752-L777 HydrophobicContact CD2-CD1 4.29Å; Y752-L777 HydrophobicContact CE1-CB 3.7Å; Y752-L777 HydrophobicContact CE2-CB 4.04Å; Y752-L777 HydrophobicContact CE2-CD1 3.94Å; Y752-L777 HydrophobicContact CG-CB 4.44Å; V756-L777 HydrophobicContact CG1-CD2 4.22Å; W760-L777 HydrophobicContact CB-CD2 4.45Å; I772-L777 HydrophobicContact CD1-CD2 4.42Å; I772-L777 HydrophobicContact CG1-CG 4.48Å; G773-L777 PolarHBondContact O-N 3.23Å; G773-L777 VanDerWaalsContact O-N 3.14Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 PolarHBondContact O-N 3.37Å
778	N	95.4	Very high	94.4	Very high	73 Å²	73	43.6 Å²	43.6	39%	0.39	25%	0.247	S	C	.	.	H	α-helix	trans	-70.2	-37.8	173.4	-77.2	-75.7	0	0	0	112.2	Y752 P774 S775 A780 L781 D782	Y752-N778 PolarHBondContact OH-ND2 2.8Å; P774-N778 WeakPolarHBondContact O-CB 3.17Å; P774-N778 PolarHBondContact O-N 3.09Å; P774-N778 PolarHBondContact O-ND2 2.74Å; S775-N778 PolarHBondContact O-N 3.47Å; N778-A780 VanDerWaalsContact C-N 3.33Å; N778-A780 PolarHBondContact O-N 3.35Å; N778-L781 PolarHBondContact O-N 3.24Å; N778-D782 WeakPolarHBondContact O-CB 3.43Å; N778-D782 PolarHBondContact O-N 3.1Å
779	S	95.3	Very high	94.7	Very high	59 Å²	59	44.8 Å²	44.8	41%	0.413	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-40.1	174.3	-173.5	0	0	0	0	112.3	S775 A776 S783	S775-S779 WeakPolarHBondContact O-CB 3.38Å; S775-S779 PolarHBondContact O-N 3.46Å; A776-S779 PolarHBondContact O-N 2.88Å; S779-S783 WeakPolarHBondContact O-CB 3.35Å; S779-S783 PolarHBondContact O-N 2.91Å; S779-S783 PolarHBondContact O-OG 3.45Å
780	A	96.2	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-48.8	172.9	0	0	0	0	0	111.8	V756 W759 A776 N778 D782 S783 I784	V756-A780 HydrophobicContact CG1-CB 3.9Å; W759-A780 HydrophobicContact CB-CB 4.2Å; W759-A780 HydrophobicContact CG-CB 4.01Å; A776-A780 WeakPolarHBondContact O-CB 3.45Å; A776-A780 PolarHBondContact O-N 3.35Å; N778-A780 VanDerWaalsContact C-N 3.33Å; N778-A780 PolarHBondContact O-N 3.35Å; A780-D782 VanDerWaalsContact C-N 3.35Å; A780-D782 PolarHBondContact O-N 2.67Å; A780-S783 PolarHBondContact O-N 3.05Å; A780-S783 VanDerWaalsContact O-N 3.14Å; A780-I784 WeakPolarHBondContact O-CG1 3.27Å; A780-I784 PolarHBondContact O-N 3.45Å
781	L	95.7	Very high	95.3	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.178	24%	0.235	C	C	.	.	H	α-helix	trans	-59.4	-41	176.6	177.4	62.4	0	0	0	112.8	Y752 V756 L777 N778 S785	Y752-L781 HydrophobicContact CD1-CB 4.36Å; Y752-L781 HydrophobicContact CD1-CD2 4.1Å; Y752-L781 HydrophobicContact CE1-CD2 4.32Å; V756-L781 HydrophobicContact CG2-CB 4.1Å; V756-L781 HydrophobicContact CG2-CD1 3.97Å; L777-L781 WeakPolarHBondContact O-CB 3.41Å; L777-L781 PolarHBondContact O-N 3.37Å; N778-L781 PolarHBondContact O-N 3.24Å; L781-S785 VanDerWaalsContact O-CB 3.25Å; L781-S785 WeakPolarHBondContact O-CB 3.37Å; L781-S785 PolarHBondContact O-N 3.02Å; L781-S785 PolarHBondContact O-OG 2.94Å
782	D	95.6	Very high	95.5	Very high	90 Å²	90	39.2 Å²	39.2	48%	0.481	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-35.9	175.1	-100.1	7	0	0	0	112.2	N778 A780 S785 K786	N778-D782 WeakPolarHBondContact O-CB 3.43Å; N778-D782 PolarHBondContact O-N 3.1Å; A780-D782 VanDerWaalsContact C-N 3.35Å; A780-D782 PolarHBondContact O-N 2.67Å; D782-S785 PolarHBondContact O-N 2.94Å; D782-K786 WeakPolarHBondContact O-CD 3.39Å; D782-K786 VanDerWaalsContact O-CG 3.24Å; D782-K786 WeakPolarHBondContact O-CG 3.38Å; D782-K786 PolarHBondContact O-N 3.01Å
783	S	96.5	Very high	95.6	Very high	14 Å²	14	40.6 Å²	40.6	10%	0.098	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-45.7	177.5	-63	0	0	0	0	111.9	S779 A780 S785 K786 L787	S779-S783 WeakPolarHBondContact O-CB 3.35Å; S779-S783 PolarHBondContact O-N 2.91Å; S779-S783 PolarHBondContact O-OG 3.45Å; A780-S783 PolarHBondContact O-N 3.05Å; A780-S783 VanDerWaalsContact O-N 3.14Å; S783-S785 VanDerWaalsContact C-N 3.29Å; S783-S785 PolarHBondContact O-N 3.32Å; S783-K786 PolarHBondContact O-N 2.77Å; S783-L787 PolarHBondContact O-N 2.91Å
784	I	97.1	Very high	95.9	Very high	17 Å²	17	40.5 Å²	40.5	9%	0.087	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-40.9	170.4	-69.1	161.4	0	0	0	110.4	V756 W759 A780 K786 L787 R788 L899 L902	V756-I784 HydrophobicContact CB-CD1 4.26Å; V756-I784 HydrophobicContact CG2-CD1 3.71Å; W759-I784 HydrophobicContact CB-CD1 3.76Å; W759-I784 HydrophobicContact CB-CG1 4.3Å; W759-I784 HydrophobicContact CD2-CG1 4.08Å; W759-I784 HydrophobicContact CE3-CG1 3.92Å; W759-I784 HydrophobicContact CG-CD1 4.19Å; W759-I784 HydrophobicContact CG-CG1 4.27Å; A780-I784 WeakPolarHBondContact O-CG1 3.27Å; A780-I784 PolarHBondContact O-N 3.45Å; I784-K786 PolarHBondContact O-N 3.1Å; I784-L787 PolarHBondContact O-N 3.31Å; I784-R788 VanDerWaalsContact O-CB 3.24Å; I784-R788 WeakPolarHBondContact O-CB 3.39Å; I784-R788 PolarHBondContact O-N 2.89Å; I784-L899 HydrophobicContact CD1-CD2 4.11Å; I784-L899 HydrophobicContact CG1-CD1 3.99Å; I784-L899 HydrophobicContact CG1-CD2 4.29Å; I784-L902 HydrophobicContact CG2-CD2 4.32Å
785	S	95.6	Very high	96.1	Very high	26 Å²	26	36.9 Å²	36.9	18%	0.182	20%	0.203	C	C	.	.	H	α-helix	trans	-63.5	-37.6	176.9	-64.8	0	0	0	0	112.6	L781 D782 S783 N789	L781-S785 VanDerWaalsContact O-CB 3.25Å; L781-S785 WeakPolarHBondContact O-CB 3.37Å; L781-S785 PolarHBondContact O-N 3.02Å; L781-S785 PolarHBondContact O-OG 2.94Å; D782-S785 PolarHBondContact O-N 2.94Å; S783-S785 VanDerWaalsContact C-N 3.29Å; S783-S785 PolarHBondContact O-N 3.32Å; S785-N789 PolarHBondContact O-N 2.84Å; S785-N789 VanDerWaalsContact O-N 3.15Å; S785-N789 PolarHBondContact O-ND2 2.81Å
786	K	95.6	Very high	96.2	Very high	124 Å²	124	33.1 Å²	33.1	54%	0.539	18%	0.177	S	C	.	.	H	α-helix	trans	-66.9	-50.1	174.5	-69	155.7	-164	159.9	0	111.1	D782 S783 I784 R788 N789 S790	D782-K786 WeakPolarHBondContact O-CD 3.39Å; D782-K786 VanDerWaalsContact O-CG 3.24Å; D782-K786 WeakPolarHBondContact O-CG 3.38Å; D782-K786 PolarHBondContact O-N 3.01Å; S783-K786 PolarHBondContact O-N 2.77Å; I784-K786 PolarHBondContact O-N 3.1Å; K786-R788 VanDerWaalsContact C-N 3.34Å; K786-R788 PolarHBondContact O-N 3.49Å; K786-N789 PolarHBondContact O-N 3.42Å; K786-N789 VanDerWaalsContact O-N 3.16Å; K786-S790 PolarHBondContact O-N 2.66Å; K786-S790 VanDerWaalsContact O-N 3.09Å
787	L	97.4	Very high	96.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-51.7	-50.7	173.7	169.7	66.3	0	0	0	111.5	W759 S783 I784 N789 S790 L791 L847 I851 V891 V895 L899 L902	W759-L787 HydrophobicContact CZ3-CD2 4.27Å; S783-L787 PolarHBondContact O-N 2.91Å; I784-L787 PolarHBondContact O-N 3.31Å; L787-N789 VanDerWaalsContact C-N 3.32Å; L787-N789 PolarHBondContact O-N 2.88Å; L787-S790 PolarHBondContact O-N 2.74Å; L787-S790 VanDerWaalsContact O-N 3.12Å; L787-L791 HydrophobicContact CD1-CD1 3.76Å; L787-L791 HydrophobicContact CD1-CG 4.05Å; L787-L791 HydrophobicContact CG-CD1 3.86Å; L787-L791 HydrophobicContact CG-CG 4.47Å; L787-L791 WeakPolarHBondContact O-CG 3.28Å; L787-L791 PolarHBondContact O-N 2.75Å; L787-L847 HydrophobicContact CD1-CD1 4.21Å; L787-L847 HydrophobicContact CD2-CD2 4.44Å; L787-I851 HydrophobicContact CB-CD1 4.43Å; L787-I851 HydrophobicContact CD1-CD1 3.34Å; L787-I851 HydrophobicContact CG-CD1 4.48Å; L787-V891 HydrophobicContact CD1-CG1 4.21Å; L787-V895 HydrophobicContact CD2-CG1 4.44Å; L787-V895 HydrophobicContact CD2-CG2 4.02Å; L787-L899 HydrophobicContact CD2-CD1 3.54Å; L787-L902 HydrophobicContact CD2-CD2 3.67Å; L787-L902 HydrophobicContact CG-CD2 4.07Å
788	R	97.3	Very high	96.3	Very high	19 Å²	19	31.9 Å²	31.9	7%	0.072	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-39.8	179.1	-172.3	179.3	-172.5	95.4	11.8	112.6	F136 P137 I784 K786 R792 L902 E905	F136-R788 HydrophobicContact CE1-CG 3.63Å; F136-R788 HydrophobicContact CZ-CG 3.83Å; P137-R788 PolarHBondContact O-NE 3.33Å; P137-R788 PolarHBondContact O-NH2 3.23Å; P137-R788 VanDerWaalsContact O-NH2 3.09Å; I784-R788 VanDerWaalsContact O-CB 3.24Å; I784-R788 WeakPolarHBondContact O-CB 3.39Å; I784-R788 PolarHBondContact O-N 2.89Å; K786-R788 VanDerWaalsContact C-N 3.34Å; K786-R788 PolarHBondContact O-N 3.49Å; R788-R792 VanDerWaalsContact O-CB 3.27Å; R788-R792 WeakPolarHBondContact O-CB 3.4Å; R788-R792 PolarHBondContact O-N 2.86Å; R788-L902 HydrophobicContact CB-CD1 4.4Å; R788-L902 HydrophobicContact CG-CD1 4.14Å; R788-E905 IonicContact CZ-OE1 2.76Å; R788-E905 IonicContact CZ-OE2 3.82Å; R788-E905 VanDerWaalsContact CZ-OE2 3.22Å; R788-E905 IonicContact NH1-OE1 3.99Å; R788-E905 IonicContact NH1-OE2 3.71Å; R788-E905 PolarHBondContact NH1-OE2 3.4Å; R788-E905 IonicContact NH2-OE1 2.71Å; R788-E905 PolarHBondContact NH2-OE1 3.01Å; R788-E905 IonicContact NH2-OE2 3.69Å; R788-E905 PolarHBondContact NH2-OE2 3.32Å
789	N	96.1	Very high	95.8	Very high	71 Å²	71	34 Å²	34	38%	0.38	17%	0.173	S	C	.	.	H	α-helix	trans	-69.5	-35.4	177	-81.8	-74.3	0	0	0	112.5	M138 S785 K786 L787 R792 F793	M138-N789 VanDerWaalsContact CG-OD1 3.3Å; M138-N789 WeakPolarHBondContact CG-OD1 3.34Å; S785-N789 PolarHBondContact O-N 2.84Å; S785-N789 VanDerWaalsContact O-N 3.15Å; S785-N789 PolarHBondContact O-ND2 2.81Å; K786-N789 PolarHBondContact O-N 3.42Å; K786-N789 VanDerWaalsContact O-N 3.16Å; L787-N789 VanDerWaalsContact C-N 3.32Å; L787-N789 PolarHBondContact O-N 2.88Å; N789-R792 PolarHBondContact O-N 2.8Å; N789-F793 PolarHBondContact O-N 2.72Å
790	S	97.3	Very high	95.3	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-44.7	173.7	-67.9	0	0	0	0	112.4	K786 L787 R792 F793 L794 I851	K786-S790 PolarHBondContact O-N 2.66Å; K786-S790 VanDerWaalsContact O-N 3.09Å; L787-S790 PolarHBondContact O-N 2.74Å; L787-S790 VanDerWaalsContact O-N 3.12Å; S790-R792 VanDerWaalsContact C-N 3.29Å; S790-R792 PolarHBondContact O-N 2.82Å; S790-F793 WeakPolarHBondContact O-CB 3.22Å; S790-F793 PolarHBondContact O-N 3.44Å; S790-F793 VanDerWaalsContact O-N 3.08Å; S790-L794 WeakPolarHBondContact O-CG 3.48Å; S790-L794 PolarHBondContact O-N 3.43Å; S790-L794 VanDerWaalsContact O-N 3.1Å; S790-I851 WeakPolarHBondContact OG-CG2 3.41Å
791	L	97.7	Very high	95.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-39.8	172.7	-66.3	172	0	0	0	111.2	L787 F793 L794 L795 L888 V891 L902 V906	L787-L791 HydrophobicContact CD1-CD1 3.76Å; L787-L791 HydrophobicContact CD1-CG 4.05Å; L787-L791 HydrophobicContact CG-CD1 3.86Å; L787-L791 HydrophobicContact CG-CG 4.47Å; L787-L791 WeakPolarHBondContact O-CG 3.28Å; L787-L791 PolarHBondContact O-N 2.75Å; L791-F793 PolarHBondContact O-N 2.88Å; L791-L794 HydrophobicContact CD2-CD1 4.32Å; L791-L794 PolarHBondContact O-N 3.42Å; L791-L795 WeakPolarHBondContact O-CB 3.43Å; L791-L795 WeakPolarHBondContact O-CG 3.41Å; L791-L795 PolarHBondContact O-N 2.98Å; L791-L888 HydrophobicContact CD2-CD1 3.91Å; L791-V891 HydrophobicContact CD2-CB 4.35Å; L791-V891 HydrophobicContact CD2-CG1 3.96Å; L791-L902 HydrophobicContact CD1-CD2 4.29Å; L791-V906 HydrophobicContact CB-CG2 4.2Å; L791-V906 HydrophobicContact CD1-CG2 4.01Å
792	R	97.1	Very high	94.8	Very high	64 Å²	64	34.6 Å²	34.6	24%	0.242	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-40.8	171.9	-170.2	173.3	-169.5	-70.8	-7.5	112.3	T134 F136 R788 N789 S790 S796	T134-R792 HydrophobicContact CG2-CG 3.74Å; T134-R792 PolarHBondContact O-NH2 2.96Å; F136-R792 HydrophobicContact CD1-CB 3.76Å; F136-R792 HydrophobicContact CD1-CG 3.92Å; F136-R792 HydrophobicContact CE1-CB 4.06Å; F136-R792 WeakPolarHBondContact O-CD 3.47Å; F136-R792 PolarHBondContact O-NE 3.4Å; R788-R792 VanDerWaalsContact O-CB 3.27Å; R788-R792 WeakPolarHBondContact O-CB 3.4Å; R788-R792 PolarHBondContact O-N 2.86Å; N789-R792 PolarHBondContact O-N 2.8Å; S790-R792 VanDerWaalsContact C-N 3.29Å; S790-R792 PolarHBondContact O-N 2.82Å; R792-S796 WeakPolarHBondContact O-CB 3.11Å; R792-S796 PolarHBondContact O-N 3.41Å; R792-S796 PolarHBondContact O-OG 3.33Å
793	F	96.7	Very high	94.4	Very high	32 Å²	32	34.1 Å²	34.1	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-48.3	177.1	-179.5	-92.7	0	0	0	110.8	N789 S790 L791 S796 N797 F860 K864 L867	N789-F793 PolarHBondContact O-N 2.72Å; S790-F793 WeakPolarHBondContact O-CB 3.22Å; S790-F793 PolarHBondContact O-N 3.44Å; S790-F793 VanDerWaalsContact O-N 3.08Å; L791-F793 PolarHBondContact O-N 2.88Å; F793-S796 WeakPolarHBondContact CA-OG 3.29Å; F793-S796 PolarHBondContact O-N 3.47Å; F793-S796 PolarHBondContact O-OG 3.39Å; F793-N797 PolarHBondContact O-N 2.96Å; F793-N797 PolarHBondContact O-ND2 3.24Å; F793-F860 HydrophobicContact CB-CD2 4.43Å; F793-F860 HydrophobicContact CB-CE2 4.12Å; F793-F860 HydrophobicContact CD1-CB 4.32Å; F793-F860 AromaticContact CD1-CD1 3.7Å; F793-F860 HydrophobicContact CD1-CD1 3.7Å; F793-F860 AromaticContact CD1-CD2 3.54Å; F793-F860 HydrophobicContact CD1-CD2 3.54Å; F793-F860 AromaticContact CD1-CE1 3.77Å; F793-F860 HydrophobicContact CD1-CE1 3.77Å; F793-F860 AromaticContact CD1-CE2 3.61Å; F793-F860 HydrophobicContact CD1-CE2 3.61Å; F793-F860 AromaticContact CD1-CG 3.59Å; F793-F860 HydrophobicContact CD1-CG 3.59Å; F793-F860 AromaticContact CD1-CZ 3.73Å; F793-F860 HydrophobicContact CD1-CZ 3.73Å; F793-F860 HydrophobicContact CE1-CB 3.9Å; F793-F860 AromaticContact CE1-CD1 3.55Å; F793-F860 HydrophobicContact CE1-CD1 3.55Å; F793-F860 AromaticContact CE1-CD2 3.98Å; F793-F860 HydrophobicContact CE1-CD2 3.98Å; F793-F860 HydrophobicContact CE1-CE1 4.02Å; F793-F860 HydrophobicContact CE1-CE2 4.4Å; F793-F860 AromaticContact CE1-CG 3.53Å; F793-F860 HydrophobicContact CE1-CG 3.53Å; F793-F860 HydrophobicContact CE1-CZ 4.42Å; F793-F860 HydrophobicContact CG-CD2 4.02Å; F793-F860 HydrophobicContact CG-CE2 4.11Å; F793-F860 HydrophobicContact CG-CG 4.41Å; F793-F860 HydrophobicContact CZ-CB 4.22Å; F793-F860 HydrophobicContact CZ-CG 4.32Å; F793-K864 HydrophobicContact CZ-CG 4.29Å; F793-L867 HydrophobicContact CZ-CD1 4.4Å
794	L	97.1	Very high	93.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-54.9	-62.6	175	-61.2	173.5	0	0	0	111	S790 L791 S796 N797 L798 F860 L884 I887 L888	S790-L794 WeakPolarHBondContact O-CG 3.48Å; S790-L794 PolarHBondContact O-N 3.43Å; S790-L794 VanDerWaalsContact O-N 3.1Å; L791-L794 HydrophobicContact CD2-CD1 4.32Å; L791-L794 PolarHBondContact O-N 3.42Å; L794-S796 PolarHBondContact O-N 2.88Å; L794-S796 VanDerWaalsContact O-N 3.12Å; L794-N797 PolarHBondContact O-N 3.32Å; L794-L798 WeakPolarHBondContact O-CG 3.37Å; L794-L798 PolarHBondContact O-N 2.9Å; L794-F860 HydrophobicContact CD2-CE1 3.53Å; L794-F860 HydrophobicContact CD2-CZ 3.51Å; L794-F860 HydrophobicContact CG-CE1 4.41Å; L794-F860 HydrophobicContact CG-CZ 3.9Å; L794-L884 HydrophobicContact CD2-CB 4.25Å; L794-L884 HydrophobicContact CD2-CD2 3.43Å; L794-L884 VanDerWaalsContact CD2-CD2 3.43Å; L794-L884 HydrophobicContact CD2-CG 4.44Å; L794-I887 HydrophobicContact CD1-CG2 3.89Å; L794-I887 HydrophobicContact CD2-CG2 4.08Å; L794-L888 HydrophobicContact CB-CB 4.18Å; L794-L888 HydrophobicContact CB-CD1 4.06Å; L794-L888 HydrophobicContact CD1-CB 3.99Å; L794-L888 HydrophobicContact CD1-CD1 4.04Å
795	L	96.3	Very high	93.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-47.3	-45.3	177.4	-76.2	169.4	0	0	0	112.4	T134 F136 L791 N797 L798 L888 V906 H909 A910	T134-L795 HydrophobicContact CG2-CB 4.41Å; F136-L795 HydrophobicContact CB-CD1 3.87Å; F136-L795 HydrophobicContact CD1-CD1 3.84Å; F136-L795 HydrophobicContact CD2-CD1 4.05Å; F136-L795 HydrophobicContact CE1-CD1 4.35Å; F136-L795 HydrophobicContact CG-CD1 3.66Å; L791-L795 WeakPolarHBondContact O-CB 3.43Å; L791-L795 WeakPolarHBondContact O-CG 3.41Å; L791-L795 PolarHBondContact O-N 2.98Å; L795-N797 PolarHBondContact O-N 3.14Å; L795-L798 PolarHBondContact O-N 3.34Å; L795-L798 VanDerWaalsContact O-N 3.14Å; L795-L888 HydrophobicContact CD2-CD1 4.49Å; L795-L888 HydrophobicContact CD2-CD2 3.61Å; L795-L888 HydrophobicContact CG-CD1 4.2Å; L795-L888 HydrophobicContact CG-CD2 4.02Å; L795-V906 HydrophobicContact CD1-CG1 4.19Å; L795-V906 HydrophobicContact CD1-CG2 4.42Å; L795-H909 HydrophobicContact CD1-CB 4.17Å; L795-H909 HydrophobicContact CD2-CB 4.1Å; L795-H909 WeakPolarHBondContact CD2-O 3.3Å; L795-A910 HydrophobicContact CD2-CB 4.13Å
796	S	95.4	Very high	93.5	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-15.6	-174.8	68.8	0	0	0	0	114.9	P132 R133 R792 F793 L794	P132-S796 CarbonylContact C-O 3.6Å; P132-S796 WeakPolarHBondContact CA-O 3.45Å; P132-S796 WeakPolarHBondContact CB-O 3.46Å; P132-S796 WeakPolarHBondContact CB-OG 3.49Å; R133-S796 PolarHBondContact N-O 2.96Å; R133-S796 WeakPolarHBondContact O-CA 3.2Å; R792-S796 WeakPolarHBondContact O-CB 3.11Å; R792-S796 PolarHBondContact O-N 3.41Å; R792-S796 PolarHBondContact O-OG 3.33Å; F793-S796 WeakPolarHBondContact CA-OG 3.29Å; F793-S796 PolarHBondContact O-N 3.47Å; F793-S796 PolarHBondContact O-OG 3.39Å; L794-S796 PolarHBondContact O-N 2.88Å; L794-S796 VanDerWaalsContact O-N 3.12Å
797	N	96	Very high	93.4	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.059	23%	0.229	C	C	.	.	H	α-helix	trans	-100	-2.6	175.7	-73.9	-77.1	0	0	0	113.3	F793 L794 L795 L867 Y868 Q881 L884	F793-N797 PolarHBondContact O-N 2.96Å; F793-N797 PolarHBondContact O-ND2 3.24Å; L794-N797 PolarHBondContact O-N 3.32Å; L795-N797 PolarHBondContact O-N 3.14Å; N797-L867 HydrophobicContact CB-CD1 4.36Å; N797-Y868 WeakPolarHBondContact OD1-CE1 3.41Å; N797-Q881 PolarHBondContact O-NE2 2.85Å; N797-L884 HydrophobicContact CB-CD1 4.05Å
798	L	94.6	Very high	93.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.233	C	C	.	.			trans	-106.5	7.5	-179.1	-60.5	172.4	0	0	0	113	L794 L795 G800 F801 Q881 L884 E885 L888 P911	L794-L798 WeakPolarHBondContact O-CG 3.37Å; L794-L798 PolarHBondContact O-N 2.9Å; L795-L798 PolarHBondContact O-N 3.34Å; L795-L798 VanDerWaalsContact O-N 3.14Å; L798-G800 PolarHBondContact O-N 3.26Å; L798-F801 HydrophobicContact CB-CB 4.38Å; L798-F801 HydrophobicContact CD2-CB 4.32Å; L798-F801 HydrophobicContact CD2-CD1 3.91Å; L798-F801 HydrophobicContact CD2-CG 4.24Å; L798-F801 WeakPolarHBondContact O-CB 3.43Å; L798-F801 PolarHBondContact O-N 3.33Å; L798-Q881 HydrophobicContact CD2-CB 3.94Å; L798-Q881 HydrophobicContact CD2-CG 4.29Å; L798-Q881 WeakPolarHBondContact CD2-O 3.49Å; L798-L884 HydrophobicContact CD2-CB 4.1Å; L798-E885 HydrophobicContact CD1-CB 3.96Å; L798-E885 HydrophobicContact CD1-CG 4.35Å; L798-E885 HydrophobicContact CD2-CB 4.06Å; L798-L888 HydrophobicContact CD1-CD2 3.81Å; L798-P911 HydrophobicContact CB-CG 4.04Å
799	Q	86.2	Confident	93.1	Very high	116 Å²	116	49.3 Å²	49.3	54%	0.542	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	126.8	170.8	-171.2	-178.9	31.3	0	0	109.9	R133 F801	R133-Q799 VanDerWaalsContact CD-OE1 3.24Å; Q799-F801 PolarHBondContact O-N 3.47Å
800	G	83.4	Confident	92.8	Very high	55 Å²	55	46.8 Å²	46.8	57%	0.567	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	5.7	-178.5	0	0	0	0	0	114.8	L798 Q806	L798-G800 PolarHBondContact O-N 3.26Å; G800-Q806 PolarHBondContact O-OE1 3.41Å
801	F	91.8	Very high	92.4	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.026	27%	0.27	C	S	.	.			trans	-83.2	128.9	170.5	-173.9	-113.8	0	0	0	110.5	L798 Q799 Q803 Q806 A807 Q881 E885 P911	L798-F801 HydrophobicContact CB-CB 4.38Å; L798-F801 HydrophobicContact CD2-CB 4.32Å; L798-F801 HydrophobicContact CD2-CD1 3.91Å; L798-F801 HydrophobicContact CD2-CG 4.24Å; L798-F801 WeakPolarHBondContact O-CB 3.43Å; L798-F801 PolarHBondContact O-N 3.33Å; Q799-F801 PolarHBondContact O-N 3.47Å; F801-Q803 HydrophobicContact CE1-CB 4.12Å; F801-Q806 HydrophobicContact CD2-CB 3.98Å; F801-Q806 HydrophobicContact CE2-CB 3.78Å; F801-Q806 WeakPolarHBondContact CE2-O 3.24Å; F801-A807 HydrophobicContact CZ-CB 4.47Å; F801-Q881 HydrophobicContact CD1-CB 4.36Å; F801-Q881 HydrophobicContact CD2-CB 3.56Å; F801-Q881 HydrophobicContact CD2-CG 4.28Å; F801-Q881 HydrophobicContact CE1-CB 4.39Å; F801-Q881 HydrophobicContact CE2-CB 3.59Å; F801-Q881 HydrophobicContact CG-CB 3.96Å; F801-Q881 HydrophobicContact CZ-CB 4.03Å; F801-E885 HydrophobicContact CD1-CB 4.33Å; F801-E885 HydrophobicContact CD1-CG 4.43Å; F801-E885 HydrophobicContact CE1-CB 3.96Å; F801-E885 HydrophobicContact CE1-CG 4.21Å; F801-P911 WeakPolarHBondContact O-CB 3.44Å
802	D	89.1	Confident	92.2	Very high	46 Å²	46	58.1 Å²	58.1	25%	0.246	30%	0.296	C	S	.	.			trans	-116.6	108	166.8	170.5	31.6	0	0	0	109.8	R804 T805 Q806	D802-R804 PolarHBondContact O-N 3.47Å; D802-R804 VanDerWaalsContact O-N 3.1Å; D802-R804 VanDerWaalsContact OD1-CB 3.32Å; D802-R804 WeakPolarHBondContact OD1-CB 3.36Å; D802-R804 WeakPolarHBondContact OD1-CG 3.38Å; D802-R804 PolarHBondContact OD1-N 2.93Å; D802-T805 PolarHBondContact O-N 2.82Å; D802-T805 VanDerWaalsContact O-N 3.13Å; D802-T805 WeakPolarHBondContact OD2-CB 3.46Å; D802-T805 WeakPolarHBondContact OD2-CG2 3.4Å; D802-T805 PolarHBondContact OD2-N 2.77Å; D802-T805 PolarHBondContact OD2-OG1 3.24Å; D802-Q806 VanDerWaalsContact N-OE1 3.14Å; D802-Q806 WeakPolarHBondContact O-CA 3.23Å; D802-Q806 VanDerWaalsContact O-CB 3.31Å; D802-Q806 WeakPolarHBondContact O-CB 3.44Å; D802-Q806 PolarHBondContact O-N 2.88Å
803	Q	87.4	Confident	92.1	Very high	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.286	S	S	.	.	H	α-helix	trans	-54	-30.4	176.9	-167	-160.6	39.8	0	0	112.1	F801 T805 A807 E885	F801-Q803 HydrophobicContact CE1-CB 4.12Å; Q803-T805 VanDerWaalsContact C-N 3.29Å; Q803-T805 PolarHBondContact O-N 3.42Å; Q803-A807 HydrophobicContact CG-CB 4.19Å; Q803-A807 WeakPolarHBondContact O-CB 3.48Å; Q803-E885 PolarHBondContact NE2-OE2 2.8Å
804	R	86.6	Confident	92	Very high	179 Å²	179	57.2 Å²	57.2	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-73.1	-19.3	-176.2	-51.2	177.3	-169.1	-168.9	6	113.4	D802 G912	D802-R804 PolarHBondContact O-N 3.47Å; D802-R804 VanDerWaalsContact O-N 3.1Å; D802-R804 VanDerWaalsContact OD1-CB 3.32Å; D802-R804 WeakPolarHBondContact OD1-CB 3.36Å; D802-R804 WeakPolarHBondContact OD1-CG 3.38Å; D802-R804 PolarHBondContact OD1-N 2.93Å; R804-G912 PolarHBondContact NH2-O 2.99Å
805	T	89.8	Confident	91.8	Very high	106 Å²	106	59.5 Å²	59.5	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-132.4	-14.4	-175.2	57.3	0	0	0	0	114.8	D802 Q803	D802-T805 PolarHBondContact O-N 2.82Å; D802-T805 VanDerWaalsContact O-N 3.13Å; D802-T805 WeakPolarHBondContact OD2-CB 3.46Å; D802-T805 WeakPolarHBondContact OD2-CG2 3.4Å; D802-T805 PolarHBondContact OD2-N 2.77Å; D802-T805 PolarHBondContact OD2-OG1 3.24Å; Q803-T805 VanDerWaalsContact C-N 3.29Å; Q803-T805 PolarHBondContact O-N 3.42Å
806	Q	93.9	Very high	91.7	Very high	50 Å²	50	59.2 Å²	59.2	23%	0.234	30%	0.3	C	S	.	.	H	α-helix	trans	-125.7	-0.6	-173.2	-57.7	172.2	-2.8	0	0	113.8	G800 F801 D802 R878	G800-Q806 PolarHBondContact O-OE1 3.41Å; F801-Q806 HydrophobicContact CD2-CB 3.98Å; F801-Q806 HydrophobicContact CE2-CB 3.78Å; F801-Q806 WeakPolarHBondContact CE2-O 3.24Å; D802-Q806 VanDerWaalsContact N-OE1 3.14Å; D802-Q806 WeakPolarHBondContact O-CA 3.23Å; D802-Q806 VanDerWaalsContact O-CB 3.31Å; D802-Q806 WeakPolarHBondContact O-CB 3.44Å; D802-Q806 PolarHBondContact O-N 2.88Å; Q806-R878 VanDerWaalsContact OE1-CZ 3.23Å
807	A	93.4	Very high	91.7	Very high	47 Å²	47	59 Å²	59	39%	0.388	30%	0.298	S	S	.	.			trans	-65.9	147.9	171.1	0	0	0	0	0	111.3	F801 Q803 T882	F801-A807 HydrophobicContact CZ-CB 4.47Å; Q803-A807 HydrophobicContact CG-CB 4.19Å; Q803-A807 WeakPolarHBondContact O-CB 3.48Å; A807-T882 WeakPolarHBondContact CA-OG1 3.22Å; A807-T882 HydrophobicContact CB-CG2 4.08Å
808	V	96	Very high	91.6	Very high	16 Å²	16	59 Å²	59	10%	0.097	30%	0.298	C	S	.	.			trans	-107.2	131.5	-179.4	179	0	0	0	0	109.5	Q812 M813 L875 R878 T882	V808-Q812 HydrophobicContact CG1-CB 3.73Å; V808-M813 HydrophobicContact CB-CG 3.91Å; V808-M813 HydrophobicContact CG1-CG 3.73Å; V808-M813 WeakPolarHBondContact O-CG 3.25Å; V808-L875 HydrophobicContact CG1-CD1 3.67Å; V808-L875 HydrophobicContact CG2-CD1 4.05Å; V808-R878 HydrophobicContact CG2-CB 3.66Å; V808-T882 PolarHBondContact N-OG1 2.91Å
809	E	92.9	Very high	91.7	Very high	126 Å²	126	60 Å²	60	59%	0.589	30%	0.302	S	S	*	.			trans	-60.2	138.1	177.6	-76	-64.7	163.9	0	0	111.3	Q811 Q812 M813	E809-Q811 PolarHBondContact O-N 3.13Å; E809-Q812 WeakPolarHBondContact O-CA 3.44Å; E809-Q812 WeakPolarHBondContact O-CB 3.48Å; E809-Q812 PolarHBondContact O-N 3.37Å; E809-M813 PolarHBondContact O-N 2.72Å; E809-M813 VanDerWaalsContact O-N 3.14Å
810	P	90.5	Very high	92.1	Very high	19 Å²	19	54.4 Å²	54.4	12%	0.123	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.9	-170.7	-31.6	38.2	0	0	0	116.2	Q818 V930	P810-Q818 VanDerWaalsContact O-CG 3.25Å; P810-Q818 WeakPolarHBondContact O-CG 3.41Å; P810-Q818 PolarHBondContact O-NE2 3Å; P810-V930 HydrophobicContact CB-CG2 4.34Å; P810-V930 HydrophobicContact CG-CG2 3.94Å
811	Q	89.2	Confident	92.7	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.612	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-19.6	176.7	-59.5	76.4	16.6	0	0	113.3	E809	E809-Q811 PolarHBondContact O-N 3.13Å
812	Q	92.9	Very high	92.8	Very high	123 Å²	123	52.1 Å²	52.1	58%	0.575	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-13.8	175.3	-63.6	-179.5	-23.8	0	0	112.7	V808 E809	V808-Q812 HydrophobicContact CG1-CB 3.73Å; E809-Q812 WeakPolarHBondContact O-CA 3.44Å; E809-Q812 WeakPolarHBondContact O-CB 3.48Å; E809-Q812 PolarHBondContact O-N 3.37Å
813	M	94.8	Very high	93	Very high	7 Å²	7	50.7 Å²	50.7	3%	0.034	24%	0.243	C	C	.	.	S	Bend	trans	-64.8	152	174.2	-69	-177.9	66.9	0	0	111.7	V808 E809 D817 Q818 L821 S879 T882 A883	V808-M813 HydrophobicContact CB-CG 3.91Å; V808-M813 HydrophobicContact CG1-CG 3.73Å; V808-M813 WeakPolarHBondContact O-CG 3.25Å; E809-M813 PolarHBondContact O-N 2.72Å; E809-M813 VanDerWaalsContact O-N 3.14Å; M813-D817 HydrophobicContact CE-CB 3.64Å; M813-Q818 HydrophobicContact CB-CG 3.93Å; M813-Q818 PolarHBondContact O-NE2 2.98Å; M813-L821 HydrophobicContact CE-CD1 3.59Å; M813-L821 HydrophobicContact CE-CG 4.39Å; M813-L821 HydrophobicContact SD-CD1 3.66Å; M813-S879 VanDerWaalsContact CA-OG 3.3Å; M813-S879 WeakPolarHBondContact CA-OG 3.17Å; M813-S879 WeakPolarHBondContact CB-OG 3.47Å; M813-S879 WeakPolarHBondContact CE-O 3.43Å; M813-T882 HydrophobicContact CE-CG2 4.28Å; M813-T882 HydrophobicContact SD-CG2 4.07Å; M813-A883 HydrophobicContact CE-CB 3.9Å
814	Y	93.9	Very high	93.5	Very high	70 Å²	70	47 Å²	47	28%	0.275	23%	0.225	S	C	.	.			trans	-63.6	144.8	172.3	-82	27.8	0	0	0	110	I816 D817 Q818 L875 S879 Q990	Y814-I816 VanDerWaalsContact C-N 3.29Å; Y814-I816 PolarHBondContact O-N 2.64Å; Y814-D817 WeakPolarHBondContact O-CA 3.38Å; Y814-D817 WeakPolarHBondContact O-CB 3.36Å; Y814-D817 PolarHBondContact O-N 3.1Å; Y814-Q818 PolarHBondContact O-N 2.82Å; Y814-L875 HydrophobicContact CE1-CG 4.46Å; Y814-S879 PolarHBondContact N-OG 3.39Å; Y814-Q990 HydrophobicContact CD2-CG 3.61Å; Y814-Q990 HydrophobicContact CE2-CG 3.96Å; Y814-Q990 HydrophobicContact CG-CG 4.2Å
815	Y	93.3	Very high	93.8	Very high	50 Å²	50	41.3 Å²	41.3	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-38.9	-178	-80.4	-109.2	0	0	0	112.2	D817 Q818 Y819 R933 L936 L980	Y815-D817 PolarHBondContact O-N 2.68Å; Y815-Q818 PolarHBondContact O-N 3.07Å; Y815-Y819 VanDerWaalsContact O-CB 3.29Å; Y815-Y819 WeakPolarHBondContact O-CB 3Å; Y815-Y819 PolarHBondContact O-N 3.12Å; Y815-R933 PolarHBondContact OH-NH2 3.13Å; Y815-L936 HydrophobicContact CD1-CD1 3.92Å; Y815-L936 HydrophobicContact CG-CD1 4.46Å; Y815-L936 WeakPolarHBondContact O-CD1 3.46Å; Y815-L980 HydrophobicContact CG-CD2 4.11Å
816	I	93.8	Very high	94	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-32.8	174.9	-170.6	177.8	0	0	0	112.4	Y814 M820 F858 Y859 V862 L994	Y814-I816 VanDerWaalsContact C-N 3.29Å; Y814-I816 PolarHBondContact O-N 2.64Å; I816-M820 WeakPolarHBondContact O-CG 3.37Å; I816-M820 PolarHBondContact O-N 3.22Å; I816-F858 HydrophobicContact CD1-CZ 4.24Å; I816-F858 HydrophobicContact CG1-CZ 4.27Å; I816-Y859 HydrophobicContact CD1-CD2 4.33Å; I816-Y859 HydrophobicContact CG1-CD2 4.24Å; I816-Y859 HydrophobicContact CG1-CE2 4.29Å; I816-V862 HydrophobicContact CD1-CB 4Å; I816-V862 HydrophobicContact CD1-CG1 3.45Å; I816-V862 VanDerWaalsContact CD1-CG1 3.45Å; I816-V862 HydrophobicContact CD1-CG2 4.48Å; I816-L994 HydrophobicContact CD1-CD2 3.61Å; I816-L994 HydrophobicContact CD1-CG 4.15Å; I816-L994 HydrophobicContact CG1-CD2 4.16Å
817	D	96.1	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-80.3	-40.5	178.5	-58.7	-23.1	0	0	0	111.1	M813 Y814 Y815 Y819 M820 L821 Y859 R866 S879 C880 A883	M813-D817 HydrophobicContact CE-CB 3.64Å; Y814-D817 WeakPolarHBondContact O-CA 3.38Å; Y814-D817 WeakPolarHBondContact O-CB 3.36Å; Y814-D817 PolarHBondContact O-N 3.1Å; Y815-D817 PolarHBondContact O-N 2.68Å; D817-Y819 VanDerWaalsContact C-N 3.27Å; D817-Y819 PolarHBondContact O-N 2.91Å; D817-M820 PolarHBondContact O-N 2.69Å; D817-L821 PolarHBondContact O-N 3.2Å; D817-Y859 VanDerWaalsContact OD1-CE2 3.31Å; D817-Y859 WeakPolarHBondContact OD1-CE2 3.36Å; D817-Y859 PolarHBondContact OD1-OH 2.68Å; D817-R866 IonicContact OD1-CZ 2.79Å; D817-R866 IonicContact OD1-NH2 2.73Å; D817-R866 PolarHBondContact OD1-NH2 3Å; D817-R866 IonicContact OD2-CZ 2.81Å; D817-R866 IonicContact OD2-NH2 3.72Å; D817-R866 PolarHBondContact OD2-NH2 3.43Å; D817-S879 VanDerWaalsContact OD2-CB 3.31Å; D817-S879 WeakPolarHBondContact OD2-CB 3.23Å; D817-S879 PolarHBondContact OD2-OG 3.04Å; D817-C880 WeakPolarHBondContact OD2-CA 3.49Å; D817-C880 PolarHBondContact OD2-N 3.19Å; D817-C880 VanDerWaalsContact OD2-N 3.09Å; D817-A883 HydrophobicContact CB-CB 4Å
818	Q	95.2	Very high	94.3	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-54.5	-44.8	168.9	-68.1	-178.7	41.4	0	0	110.7	P810 M813 Y814 Y815 M820 L821 H822 R933 L936	P810-Q818 VanDerWaalsContact O-CG 3.25Å; P810-Q818 WeakPolarHBondContact O-CG 3.41Å; P810-Q818 PolarHBondContact O-NE2 3Å; M813-Q818 HydrophobicContact CB-CG 3.93Å; M813-Q818 PolarHBondContact O-NE2 2.98Å; Y814-Q818 PolarHBondContact O-N 2.82Å; Y815-Q818 PolarHBondContact O-N 3.07Å; Q818-M820 VanDerWaalsContact C-N 3.35Å; Q818-M820 PolarHBondContact O-N 3.37Å; Q818-L821 PolarHBondContact O-N 2.99Å; Q818-H822 PolarHBondContact O-N 3.41Å; Q818-R933 VanDerWaalsContact OE1-CD 3.3Å; Q818-L936 HydrophobicContact CB-CD1 3.79Å; Q818-L936 HydrophobicContact CB-CD2 3.81Å; Q818-L936 HydrophobicContact CB-CG 4.45Å
819	Y	95.1	Very high	94.3	Very high	20 Å²	20	39.8 Å²	39.8	8%	0.078	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-36.5	179.4	175.3	-105.6	0	0	0	112.4	Y815 D817 H822 L823 F858 E937 V940	Y815-Y819 VanDerWaalsContact O-CB 3.29Å; Y815-Y819 WeakPolarHBondContact O-CB 3Å; Y815-Y819 PolarHBondContact O-N 3.12Å; D817-Y819 VanDerWaalsContact C-N 3.27Å; D817-Y819 PolarHBondContact O-N 2.91Å; Y819-H822 WeakPolarHBondContact O-CB 3.35Å; Y819-H822 PolarHBondContact O-N 2.97Å; Y819-L823 HydrophobicContact CD1-CD1 4.15Å; Y819-L823 HydrophobicContact CE1-CD1 3.52Å; Y819-L823 HydrophobicContact CE1-CG 4.17Å; Y819-L823 HydrophobicContact CE2-CD1 4.5Å; Y819-L823 HydrophobicContact CE2-CD2 4.47Å; Y819-L823 HydrophobicContact CE2-CG 4.34Å; Y819-L823 PolarHBondContact O-N 3.23Å; Y819-F858 HydrophobicContact CD1-CE1 4.08Å; Y819-F858 AromaticContact CE1-CE1 3.92Å; Y819-F858 HydrophobicContact CE1-CE1 3.92Å; Y819-F858 HydrophobicContact CE1-CZ 4.4Å; Y819-E937 HydrophobicContact CE2-CG 4.48Å; Y819-V940 HydrophobicContact CD1-CB 4.02Å; Y819-V940 HydrophobicContact CD1-CG1 3.57Å; Y819-V940 HydrophobicContact CD1-CG2 4.37Å; Y819-V940 HydrophobicContact CD2-CB 4.07Å; Y819-V940 HydrophobicContact CD2-CG1 4.49Å; Y819-V940 HydrophobicContact CD2-CG2 4.39Å; Y819-V940 HydrophobicContact CE1-CB 4.32Å; Y819-V940 HydrophobicContact CE1-CG1 3.75Å; Y819-V940 HydrophobicContact CE2-CB 4.39Å; Y819-V940 HydrophobicContact CG-CB 3.88Å; Y819-V940 HydrophobicContact CG-CG1 3.96Å; Y819-V940 HydrophobicContact CG-CG2 3.96Å
820	M	95.6	Very high	94.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-33.5	173.2	-69.4	-51.4	-51.8	0	0	113.4	I816 D817 Q818 H822 L823 L824 F850 D854 L855 F858 Y859 I887	I816-M820 WeakPolarHBondContact O-CG 3.37Å; I816-M820 PolarHBondContact O-N 3.22Å; D817-M820 PolarHBondContact O-N 2.69Å; Q818-M820 VanDerWaalsContact C-N 3.35Å; Q818-M820 PolarHBondContact O-N 3.37Å; M820-H822 VanDerWaalsContact C-N 3.35Å; M820-L823 HydrophobicContact CE-CD1 4.28Å; M820-L823 PolarHBondContact O-N 3.35Å; M820-L823 HydrophobicContact SD-CD1 3.99Å; M820-L824 VanDerWaalsContact O-CB 3.28Å; M820-L824 WeakPolarHBondContact O-CB 3.45Å; M820-L824 PolarHBondContact O-N 3.05Å; M820-F850 HydrophobicContact CE-CE2 4.34Å; M820-D854 HydrophobicContact CE-CB 4.16Å; M820-L855 HydrophobicContact CE-CD2 3.7Å; M820-F858 HydrophobicContact SD-CD1 4Å; M820-F858 HydrophobicContact SD-CE1 3.93Å; M820-Y859 HydrophobicContact CB-CD2 4.49Å; M820-Y859 HydrophobicContact CB-CE1 4.44Å; M820-Y859 HydrophobicContact CB-CE2 4.36Å; M820-Y859 HydrophobicContact CE-CD1 4.44Å; M820-Y859 HydrophobicContact CE-CG 4.31Å; M820-Y859 HydrophobicContact CG-CD1 3.87Å; M820-Y859 HydrophobicContact CG-CD2 3.33Å; M820-Y859 HydrophobicContact CG-CE1 4.11Å; M820-Y859 HydrophobicContact CG-CE2 3.57Å; M820-Y859 HydrophobicContact CG-CG 3.49Å; M820-Y859 VanDerWaalsContact CG-CG 3.49Å; M820-Y859 HydrophobicContact SD-CD2 4.15Å; M820-Y859 HydrophobicContact SD-CG 3.97Å; M820-I887 HydrophobicContact CB-CD1 4.15Å
821	L	95.2	Very high	94.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-34.3	170.6	-68.3	178.6	0	0	0	112.1	M813 D817 Q818 L824 R825 A883 E886 W931	M813-L821 HydrophobicContact CE-CD1 3.59Å; M813-L821 HydrophobicContact CE-CG 4.39Å; M813-L821 HydrophobicContact SD-CD1 3.66Å; D817-L821 PolarHBondContact O-N 3.2Å; Q818-L821 PolarHBondContact O-N 2.99Å; L821-L824 HydrophobicContact CD2-CD2 4.12Å; L821-L824 PolarHBondContact O-N 2.9Å; L821-R825 PolarHBondContact O-N 3.06Å; L821-A883 HydrophobicContact CD2-CB 4.42Å; L821-A883 HydrophobicContact CG-CB 4.34Å; L821-E886 HydrophobicContact CD2-CB 3.58Å; L821-E886 HydrophobicContact CD2-CG 3.99Å; L821-W931 HydrophobicContact CB-CB 3.94Å; L821-W931 HydrophobicContact CB-CD2 3.94Å; L821-W931 HydrophobicContact CB-CE3 4.32Å; L821-W931 HydrophobicContact CB-CG 3.74Å; L821-W931 HydrophobicContact CD1-CG 4.39Å; L821-W931 HydrophobicContact CD2-CD2 4.4Å; L821-W931 HydrophobicContact CD2-CZ2 4.43Å
822	H	93.8	Very high	95.3	Very high	11 Å²	11	31.7 Å²	31.7	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-59.2	-53.3	168.5	174	108.5	0	0	0	111	Q818 Y819 M820 L824 R825 E826 L936 E937	Q818-H822 PolarHBondContact O-N 3.41Å; Y819-H822 WeakPolarHBondContact O-CB 3.35Å; Y819-H822 PolarHBondContact O-N 2.97Å; M820-H822 VanDerWaalsContact C-N 3.35Å; H822-L824 VanDerWaalsContact C-N 3.29Å; H822-L824 PolarHBondContact O-N 2.92Å; H822-R825 WeakPolarHBondContact O-CB 3.31Å; H822-R825 PolarHBondContact O-N 2.92Å; H822-R825 VanDerWaalsContact O-N 3.08Å; H822-E826 PolarHBondContact O-N 3.45Å; H822-E826 VanDerWaalsContact O-N 3.09Å; H822-L936 HydrophobicContact CB-CD2 4.21Å; H822-E937 IonicContact CE1-OE1 3.25Å; H822-E937 PolarHBondContact CE1-OE1 2.64Å; H822-E937 IonicContact ND1-OE1 3.9Å; H822-E937 IonicContact NE2-OE1 2.82Å
823	L	94.8	Very high	95.5	Very high	15 Å²	15	29.7 Å²	29.7	8%	0.079	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-35.6	-179.8	-69.4	-179.5	0	0	0	112	Y819 M820 R825 E826 Y827 F850 D854	Y819-L823 HydrophobicContact CD1-CD1 4.15Å; Y819-L823 HydrophobicContact CE1-CD1 3.52Å; Y819-L823 HydrophobicContact CE1-CG 4.17Å; Y819-L823 HydrophobicContact CE2-CD1 4.5Å; Y819-L823 HydrophobicContact CE2-CD2 4.47Å; Y819-L823 HydrophobicContact CE2-CG 4.34Å; Y819-L823 PolarHBondContact O-N 3.23Å; M820-L823 HydrophobicContact CE-CD1 4.28Å; M820-L823 PolarHBondContact O-N 3.35Å; M820-L823 HydrophobicContact SD-CD1 3.99Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-E826 PolarHBondContact O-N 2.84Å; L823-Y827 VanDerWaalsContact O-CB 3.23Å; L823-Y827 WeakPolarHBondContact O-CB 3.32Å; L823-Y827 PolarHBondContact O-N 2.98Å; L823-F850 HydrophobicContact CB-CE2 4.1Å; L823-D854 HydrophobicContact CD1-CB 4.18Å
824	L	96.2	Very high	95.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-42.5	172.3	-178.1	67.5	0	0	0	111.3	M820 L821 H822 Y827 S828 F850 E886 I887 W931	M820-L824 VanDerWaalsContact O-CB 3.28Å; M820-L824 WeakPolarHBondContact O-CB 3.45Å; M820-L824 PolarHBondContact O-N 3.05Å; L821-L824 HydrophobicContact CD2-CD2 4.12Å; L821-L824 PolarHBondContact O-N 2.9Å; H822-L824 VanDerWaalsContact C-N 3.29Å; H822-L824 PolarHBondContact O-N 2.92Å; L824-Y827 HydrophobicContact CD1-CD1 4.2Å; L824-Y827 WeakPolarHBondContact O-CB 3.32Å; L824-Y827 PolarHBondContact O-N 2.94Å; L824-S828 WeakPolarHBondContact O-CB 3.36Å; L824-S828 PolarHBondContact O-N 3.32Å; L824-S828 PolarHBondContact O-OG 3.22Å; L824-F850 HydrophobicContact CB-CZ 4.36Å; L824-F850 HydrophobicContact CD1-CE1 4.16Å; L824-F850 HydrophobicContact CD1-CZ 4.09Å; L824-E886 HydrophobicContact CD2-CB 3.94Å; L824-E886 WeakPolarHBondContact CD2-O 3.14Å; L824-I887 HydrophobicContact CD1-CG1 4.35Å; L824-I887 HydrophobicContact CD2-CG1 4.1Å; L824-W931 HydrophobicContact CD2-CH2 4.26Å; L824-W931 HydrophobicContact CD2-CZ3 3.94Å; L824-W931 HydrophobicContact CG-CZ3 4.37Å
825	R	94.4	Very high	95.7	Very high	60 Å²	60	26.2 Å²	26.2	23%	0.226	12%	0.123	C	C	.	.	H	α-helix	trans	-59.9	-49.8	174.7	169.1	170.8	-165.7	76.8	11.5	112.3	L821 H822 L823 Y827 S828 M829 S927 S928 W931	L821-R825 PolarHBondContact O-N 3.06Å; H822-R825 WeakPolarHBondContact O-CB 3.31Å; H822-R825 PolarHBondContact O-N 2.92Å; H822-R825 VanDerWaalsContact O-N 3.08Å; L823-R825 VanDerWaalsContact C-N 3.34Å; R825-Y827 VanDerWaalsContact C-N 3.31Å; R825-Y827 PolarHBondContact O-N 3.3Å; R825-S828 PolarHBondContact O-N 3.22Å; R825-M829 HydrophobicContact CG-SD 4.28Å; R825-M829 WeakPolarHBondContact O-CG 3.31Å; R825-M829 PolarHBondContact O-N 3.44Å; R825-M829 VanDerWaalsContact O-N 3.11Å; R825-S927 WeakPolarHBondContact CA-OG 3.42Å; R825-S927 WeakPolarHBondContact CB-OG 3.43Å; R825-S927 WeakPolarHBondContact CG-OG 3.19Å; R825-S927 PolarHBondContact NH1-O 3.33Å; R825-S927 PolarHBondContact NH1-OG 3.46Å; R825-S928 PolarHBondContact NH1-O 3.29Å; R825-W931 HydrophobicContact CB-CE3 4.12Å
826	E	93.5	Very high	95.7	Very high	78 Å²	78	25.5 Å²	25.5	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-55.4	-48.5	175	-81.3	-133.1	103.4	0	0	111.7	H822 L823 M829 K830	H822-E826 PolarHBondContact O-N 3.45Å; H822-E826 VanDerWaalsContact O-N 3.09Å; L823-E826 PolarHBondContact O-N 2.84Å; E826-M829 PolarHBondContact O-N 2.78Å; E826-K830 HydrophobicContact CB-CD 4.5Å; E826-K830 WeakPolarHBondContact O-CB 3.43Å; E826-K830 WeakPolarHBondContact O-CD 3.5Å; E826-K830 WeakPolarHBondContact O-CG 3.31Å; E826-K830 PolarHBondContact O-N 3.45Å; E826-K830 VanDerWaalsContact OE1-CE 3.23Å; E826-K830 WeakPolarHBondContact OE1-CE 3.4Å; E826-K830 IonicContact OE1-NZ 2.8Å; E826-K830 PolarHBondContact OE1-NZ 3.25Å; E826-K830 IonicContact OE2-NZ 3.81Å; E826-K830 PolarHBondContact OE2-NZ 3.14Å
827	Y	97.2	Very high	95.7	Very high	6 Å²	6	29.5 Å²	29.5	2%	0.024	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-50.1	177.7	168.1	-95.5	0	0	0	111.9	L823 L824 R825 M829 K830 V831 I846 L847 F850 V891 S894	L823-Y827 VanDerWaalsContact O-CB 3.23Å; L823-Y827 WeakPolarHBondContact O-CB 3.32Å; L823-Y827 PolarHBondContact O-N 2.98Å; L824-Y827 HydrophobicContact CD1-CD1 4.2Å; L824-Y827 WeakPolarHBondContact O-CB 3.32Å; L824-Y827 PolarHBondContact O-N 2.94Å; R825-Y827 VanDerWaalsContact C-N 3.31Å; R825-Y827 PolarHBondContact O-N 3.3Å; Y827-M829 VanDerWaalsContact C-N 3.32Å; Y827-M829 PolarHBondContact O-N 3.18Å; Y827-K830 PolarHBondContact O-N 3.46Å; Y827-V831 HydrophobicContact CD2-CG2 4.26Å; Y827-V831 HydrophobicContact CE1-CG2 4.28Å; Y827-V831 HydrophobicContact CE2-CG2 3.77Å; Y827-V831 WeakPolarHBondContact O-CG2 3.35Å; Y827-V831 PolarHBondContact O-N 2.73Å; Y827-I846 HydrophobicContact CD2-CG2 3.59Å; Y827-I846 HydrophobicContact CE2-CG2 3.75Å; Y827-L847 WeakPolarHBondContact OH-CD1 3.49Å; Y827-F850 HydrophobicContact CD1-CD1 4.21Å; Y827-F850 HydrophobicContact CD1-CE1 4.24Å; Y827-F850 HydrophobicContact CD2-CB 3.58Å; Y827-F850 AromaticContact CD2-CD1 3.79Å; Y827-F850 HydrophobicContact CD2-CD1 3.79Å; Y827-F850 HydrophobicContact CD2-CD2 4.24Å; Y827-F850 AromaticContact CD2-CG 3.62Å; Y827-F850 HydrophobicContact CD2-CG 3.62Å; Y827-F850 HydrophobicContact CE1-CD1 4.39Å; Y827-F850 HydrophobicContact CE2-CB 3.85Å; Y827-F850 AromaticContact CE2-CD1 3.99Å; Y827-F850 HydrophobicContact CE2-CD1 3.99Å; Y827-F850 HydrophobicContact CE2-CG 4.11Å; Y827-F850 HydrophobicContact CG-CB 4.42Å; Y827-F850 AromaticContact CG-CD1 3.91Å; Y827-F850 HydrophobicContact CG-CD1 3.91Å; Y827-F850 HydrophobicContact CG-CD2 4.31Å; Y827-F850 HydrophobicContact CG-CE1 4.21Å; Y827-F850 AromaticContact CG-CG 3.97Å; Y827-F850 HydrophobicContact CG-CG 3.97Å; Y827-V891 HydrophobicContact CE1-CG2 4.22Å; Y827-S894 WeakPolarHBondContact OH-CB 3.5Å; Y827-S894 PolarHBondContact OH-OG 2.88Å
828	S	96.5	Very high	95.5	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.035	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-40.4	179.3	-55	0	0	0	0	112.6	L824 R825 T832 I925	L824-S828 WeakPolarHBondContact O-CB 3.36Å; L824-S828 PolarHBondContact O-N 3.32Å; L824-S828 PolarHBondContact O-OG 3.22Å; R825-S828 PolarHBondContact O-N 3.22Å; S828-T832 WeakPolarHBondContact O-CB 3.4Å; S828-T832 PolarHBondContact O-N 3.23Å; S828-T832 VanDerWaalsContact O-N 3.07Å; S828-T832 PolarHBondContact O-OG1 3.34Å; S828-I925 VanDerWaalsContact OG-CG2 3.32Å; S828-I925 WeakPolarHBondContact OG-CG2 3.41Å
829	M	95.7	Very high	95.5	Very high	98 Å²	98	32.4 Å²	32.4	48%	0.483	16%	0.158	S	C	.	.	H	α-helix	trans	-64.8	-54.3	175.1	-70	175.5	57	0	0	110.7	R825 E826 Y827 V831 T832 D833	R825-M829 HydrophobicContact CG-SD 4.28Å; R825-M829 WeakPolarHBondContact O-CG 3.31Å; R825-M829 PolarHBondContact O-N 3.44Å; R825-M829 VanDerWaalsContact O-N 3.11Å; E826-M829 PolarHBondContact O-N 2.78Å; Y827-M829 VanDerWaalsContact C-N 3.32Å; Y827-M829 PolarHBondContact O-N 3.18Å; M829-V831 PolarHBondContact O-N 3.49Å; M829-T832 PolarHBondContact O-N 3.12Å; M829-D833 PolarHBondContact O-N 3Å
830	K	97.6	Very high	95.5	Very high	80 Å²	80	31.8 Å²	31.8	35%	0.348	16%	0.157	S	C	.	.	H	α-helix	trans	-59.3	-32.9	-176.6	-68	165.3	-171.6	-179.1	0	112.7	E826 Y827 A834 I846	E826-K830 HydrophobicContact CB-CD 4.5Å; E826-K830 WeakPolarHBondContact O-CB 3.43Å; E826-K830 WeakPolarHBondContact O-CD 3.5Å; E826-K830 WeakPolarHBondContact O-CG 3.31Å; E826-K830 PolarHBondContact O-N 3.45Å; E826-K830 VanDerWaalsContact OE1-CE 3.23Å; E826-K830 WeakPolarHBondContact OE1-CE 3.4Å; E826-K830 IonicContact OE1-NZ 2.8Å; E826-K830 PolarHBondContact OE1-NZ 3.25Å; E826-K830 IonicContact OE2-NZ 3.81Å; E826-K830 PolarHBondContact OE2-NZ 3.14Å; Y827-K830 PolarHBondContact O-N 3.46Å; K830-A834 PolarHBondContact O-N 3.38Å; K830-I846 HydrophobicContact CB-CD1 4Å; K830-I846 HydrophobicContact CB-CG2 4.41Å; K830-I846 WeakPolarHBondContact O-CD1 3.33Å
831	V	98.1	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.2	-44.4	171.7	167.1	0	0	0	0	112.6	Y827 M829 D833 A834 Y835 V843 I846 W924	Y827-V831 HydrophobicContact CD2-CG2 4.26Å; Y827-V831 HydrophobicContact CE1-CG2 4.28Å; Y827-V831 HydrophobicContact CE2-CG2 3.77Å; Y827-V831 WeakPolarHBondContact O-CG2 3.35Å; Y827-V831 PolarHBondContact O-N 2.73Å; M829-V831 PolarHBondContact O-N 3.49Å; V831-D833 VanDerWaalsContact C-N 3.27Å; V831-D833 PolarHBondContact O-N 3.49Å; V831-A834 PolarHBondContact O-N 3.23Å; V831-Y835 HydrophobicContact CG1-CD2 3.66Å; V831-Y835 HydrophobicContact CG1-CE2 3.54Å; V831-Y835 WeakPolarHBondContact O-CD2 3.46Å; V831-Y835 PolarHBondContact O-N 2.99Å; V831-Y835 VanDerWaalsContact O-N 3.12Å; V831-V843 HydrophobicContact CG1-CG1 3.86Å; V831-V843 HydrophobicContact CG1-CG2 4.23Å; V831-V843 HydrophobicContact CG2-CG1 4.34Å; V831-I846 HydrophobicContact CG2-CB 4.32Å; V831-I846 HydrophobicContact CG2-CG2 3.86Å; V831-W924 HydrophobicContact CG1-CZ2 4.26Å
832	T	97.4	Very high	95.6	Very high	26 Å²	26	35.5 Å²	35.5	16%	0.16	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-35.7	-178.4	-58.7	0	0	0	0	111.7	F204 S828 M829 S836 W924	F204-T832 HydrophobicContact CE2-CG2 4.21Å; F204-T832 HydrophobicContact CZ-CG2 4.13Å; F204-T832 WeakPolarHBondContact CZ-O 3.33Å; S828-T832 WeakPolarHBondContact O-CB 3.4Å; S828-T832 PolarHBondContact O-N 3.23Å; S828-T832 VanDerWaalsContact O-N 3.07Å; S828-T832 PolarHBondContact O-OG1 3.34Å; M829-T832 PolarHBondContact O-N 3.12Å; T832-S836 WeakPolarHBondContact O-CB 3.37Å; T832-S836 PolarHBondContact O-N 3.05Å; T832-S836 VanDerWaalsContact O-N 3.17Å; T832-S836 PolarHBondContact O-OG 3.22Å; T832-W924 PolarHBondContact OG1-NE1 3.22Å
833	D	96.8	Very high	95.8	Very high	81 Å²	81	35 Å²	35	43%	0.433	17%	0.169	S	C	.	.	H	α-helix	trans	-65.6	-47.5	173.8	-64.8	-25.3	0	0	0	111.3	M829 V831 Y835 S836 E837	M829-D833 PolarHBondContact O-N 3Å; V831-D833 VanDerWaalsContact C-N 3.27Å; V831-D833 PolarHBondContact O-N 3.49Å; D833-Y835 PolarHBondContact O-N 2.83Å; D833-S836 CarbonylContact O-C 3.58Å; D833-S836 WeakPolarHBondContact O-CA 3.29Å; D833-S836 VanDerWaalsContact O-CB 3.31Å; D833-S836 WeakPolarHBondContact O-CB 3.21Å; D833-S836 PolarHBondContact O-N 2.87Å; D833-E837 WeakPolarHBondContact O-CG 3.22Å; D833-E837 PolarHBondContact O-N 3.06Å
834	A	96.5	Very high	95.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-43.9	-179.1	0	0	0	0	0	113.3	K830 V831 S836 E837 F838 D839 R842 V843	K830-A834 PolarHBondContact O-N 3.38Å; V831-A834 PolarHBondContact O-N 3.23Å; A834-S836 VanDerWaalsContact C-N 3.33Å; A834-S836 PolarHBondContact O-N 3.28Å; A834-E837 PolarHBondContact O-N 3.36Å; A834-F838 PolarHBondContact O-N 2.94Å; A834-D839 PolarHBondContact O-N 2.91Å; A834-R842 HydrophobicContact CB-CB 3.95Å; A834-R842 HydrophobicContact CB-CG 3.65Å; A834-V843 HydrophobicContact CB-CG2 3.67Å
835	Y	97	Very high	95.9	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-35.8	171.8	-79.3	-63.9	0	0	0	113	I200 R201 F204 V831 D833 E837 F838 V843 S894 P897 I898 W924	I200-Y835 HydrophobicContact CG2-CD1 4.13Å; I200-Y835 HydrophobicContact CG2-CE1 3.72Å; R201-Y835 PolarHBondContact NH1-O 3.28Å; F204-Y835 HydrophobicContact CB-CD1 4.38Å; F204-Y835 HydrophobicContact CB-CG 4.44Å; F204-Y835 VanDerWaalsContact CD2-CB 3.47Å; F204-Y835 HydrophobicContact CD2-CD1 4.41Å; F204-Y835 AromaticContact CD2-CD2 3.79Å; F204-Y835 HydrophobicContact CD2-CD2 3.79Å; F204-Y835 AromaticContact CD2-CG 3.67Å; F204-Y835 HydrophobicContact CD2-CG 3.67Å; F204-Y835 AromaticContact CE2-CD2 3.97Å; F204-Y835 HydrophobicContact CE2-CD2 3.97Å; F204-Y835 AromaticContact CE2-CG 3.96Å; F204-Y835 HydrophobicContact CE2-CG 3.96Å; F204-Y835 HydrophobicContact CG-CD1 4.39Å; F204-Y835 AromaticContact CG-CG 3.99Å; F204-Y835 HydrophobicContact CG-CG 3.99Å; F204-Y835 VanDerWaalsContact CZ-CB 3.48Å; V831-Y835 HydrophobicContact CG1-CD2 3.66Å; V831-Y835 HydrophobicContact CG1-CE2 3.54Å; V831-Y835 WeakPolarHBondContact O-CD2 3.46Å; V831-Y835 PolarHBondContact O-N 2.99Å; V831-Y835 VanDerWaalsContact O-N 3.12Å; D833-Y835 PolarHBondContact O-N 2.83Å; Y835-E837 PolarHBondContact O-N 3.42Å; Y835-F838 PolarHBondContact O-N 3.29Å; Y835-V843 HydrophobicContact CD1-CG2 4.02Å; Y835-V843 HydrophobicContact CD2-CG1 4.48Å; Y835-V843 HydrophobicContact CD2-CG2 3.66Å; Y835-V843 HydrophobicContact CE1-CG2 4.03Å; Y835-V843 HydrophobicContact CE2-CB 4.3Å; Y835-V843 HydrophobicContact CE2-CG1 3.7Å; Y835-V843 HydrophobicContact CE2-CG2 3.68Å; Y835-V843 HydrophobicContact CG-CG2 3.84Å; Y835-S894 VanDerWaalsContact CE2-O 3.28Å; Y835-S894 WeakPolarHBondContact CE2-O 3.43Å; Y835-S894 PolarHBondContact OH-O 3.14Å; Y835-P897 HydrophobicContact CE1-CB 3.91Å; Y835-P897 HydrophobicContact CE1-CG 4.17Å; Y835-P897 HydrophobicContact CE2-CG 4.35Å; Y835-I898 HydrophobicContact CE1-CD1 4.28Å; Y835-I898 HydrophobicContact CE1-CG1 4.27Å; Y835-I898 WeakPolarHBondContact OH-CD1 3.25Å; Y835-W924 AromaticContact CD2-CH2 3.8Å; Y835-W924 HydrophobicContact CD2-CH2 3.8Å; Y835-W924 AromaticContact CD2-CZ2 3.97Å; Y835-W924 HydrophobicContact CD2-CZ2 3.97Å; Y835-W924 AromaticContact CE2-CH2 3.57Å; Y835-W924 HydrophobicContact CE2-CH2 3.57Å; Y835-W924 HydrophobicContact CE2-CZ2 4.12Å
836	S	94.1	Very high	96.1	Very high	34 Å²	34	38.9 Å²	38.9	24%	0.238	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-25.9	175.7	-58.3	0	0	0	0	112.1	R201 R208 T832 D833 A834	R201-S836 PolarHBondContact NH1-O 3.29Å; R208-S836 PolarHBondContact NH1-OG 2.85Å; T832-S836 WeakPolarHBondContact O-CB 3.37Å; T832-S836 PolarHBondContact O-N 3.05Å; T832-S836 VanDerWaalsContact O-N 3.17Å; T832-S836 PolarHBondContact O-OG 3.22Å; D833-S836 CarbonylContact O-C 3.58Å; D833-S836 WeakPolarHBondContact O-CA 3.29Å; D833-S836 VanDerWaalsContact O-CB 3.31Å; D833-S836 WeakPolarHBondContact O-CB 3.21Å; D833-S836 PolarHBondContact O-N 2.87Å; A834-S836 VanDerWaalsContact C-N 3.33Å; A834-S836 PolarHBondContact O-N 3.28Å
837	E	92.3	Very high	96.3	Very high	84 Å²	84	35.2 Å²	35.2	39%	0.393	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.4	175.6	-69.6	178	154.2	0	0	115.2	D833 A834 Y835 D839 R842	D833-E837 WeakPolarHBondContact O-CG 3.22Å; D833-E837 PolarHBondContact O-N 3.06Å; A834-E837 PolarHBondContact O-N 3.36Å; Y835-E837 PolarHBondContact O-N 3.42Å; E837-D839 VanDerWaalsContact C-N 3.32Å; E837-R842 IonicContact OE1-NH1 2.72Å; E837-R842 IonicContact OE2-CZ 3.97Å; E837-R842 IonicContact OE2-NH1 3.31Å; E837-R842 PolarHBondContact OE2-NH1 2.87Å
838	F	93.4	Very high	96.3	Very high	28 Å²	28	37.9 Å²	37.9	12%	0.123	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	16.5	-169.1	-63	-107.8	0	0	0	115.1	R201 L564 A682 V684 V714 A834 Y835 A840	R201-F838 HydrophobicContact CB-CD1 4.41Å; R201-F838 HydrophobicContact CB-CE1 4.05Å; R201-F838 HydrophobicContact CG-CD1 4.22Å; R201-F838 HydrophobicContact CG-CE1 3.51Å; R201-F838 HydrophobicContact CG-CZ 3.91Å; L564-F838 HydrophobicContact CD1-CB 4.46Å; L564-F838 HydrophobicContact CD1-CD2 3.94Å; L564-F838 HydrophobicContact CD1-CG 4.48Å; A682-F838 HydrophobicContact CB-CZ 3.98Å; V684-F838 HydrophobicContact CG2-CE1 4.11Å; V714-F838 HydrophobicContact CG1-CD1 4.38Å; V714-F838 HydrophobicContact CG2-CD1 3.89Å; V714-F838 HydrophobicContact CG2-CD2 4.25Å; V714-F838 HydrophobicContact CG2-CE1 3.81Å; V714-F838 HydrophobicContact CG2-CE2 4.19Å; V714-F838 HydrophobicContact CG2-CG 4.12Å; V714-F838 HydrophobicContact CG2-CZ 3.97Å; A834-F838 PolarHBondContact O-N 2.94Å; Y835-F838 PolarHBondContact O-N 3.29Å; F838-A840 PolarHBondContact O-N 3.08Å
839	D	93.9	Very high	96.4	Very high	46 Å²	46	40 Å²	40	25%	0.246	20%	0.198	C	C	.	.			trans	-95.2	79.1	176.1	-169.7	-8.9	0	0	0	111.5	A834 E837 G841 R842 V843 R845	A834-D839 PolarHBondContact O-N 2.91Å; E837-D839 VanDerWaalsContact C-N 3.32Å; D839-G841 PolarHBondContact O-N 2.82Å; D839-G841 WeakPolarHBondContact OD1-CA 3.36Å; D839-G841 PolarHBondContact OD1-N 3.35Å; D839-R842 HydrophobicContact CB-CB 3.92Å; D839-R842 WeakPolarHBondContact O-CB 3.21Å; D839-R842 PolarHBondContact O-N 2.87Å; D839-R842 WeakPolarHBondContact OD1-CB 3.49Å; D839-R842 PolarHBondContact OD1-N 3.35Å; D839-R842 WeakPolarHBondContact OD2-CB 3.49Å; D839-V843 PolarHBondContact O-N 3.42Å; D839-R845 IonicContact OD1-NH2 2.74Å; D839-R845 PolarHBondContact OD1-NH2 3.1Å; D839-R845 IonicContact OD2-NH2 2.99Å; D839-R845 PolarHBondContact OD2-NH2 3.47Å
840	A	95.7	Very high	96.5	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-26.9	173.7	0	0	0	0	0	112.5	I200 A762 F838 R842 V843 I844 I898	I200-A840 HydrophobicContact CG2-CB 4.49Å; A762-A840 HydrophobicContact CB-CB 3.97Å; A762-A840 CarbonylContact O-C 3.39Å; F838-A840 PolarHBondContact O-N 3.08Å; A840-R842 VanDerWaalsContact C-N 3.34Å; A840-V843 WeakPolarHBondContact O-CB 3.43Å; A840-V843 PolarHBondContact O-N 3.49Å; A840-I844 PolarHBondContact O-N 3.09Å; A840-I898 HydrophobicContact CB-CD1 4.5Å
841	G	95.8	Very high	96.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-37.1	176.3	0	0	0	0	0	111.4	A762 D839 V843 I844 R845	A762-G841 WeakPolarHBondContact O-CA 3.37Å; A762-G841 PolarHBondContact O-N 2.79Å; D839-G841 PolarHBondContact O-N 2.82Å; D839-G841 WeakPolarHBondContact OD1-CA 3.36Å; D839-G841 PolarHBondContact OD1-N 3.35Å; G841-V843 VanDerWaalsContact C-N 3.35Å; G841-I844 PolarHBondContact O-N 3.12Å; G841-R845 WeakPolarHBondContact O-CG 3.5Å; G841-R845 PolarHBondContact O-N 3.39Å; G841-R845 PolarHBondContact O-NH1 2.94Å
842	R	96.1	Very high	96.3	Very high	80 Å²	80	35.9 Å²	35.9	30%	0.302	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-38.4	172.7	175.3	178.9	174.8	-173.7	-0.1	111.1	A834 E837 D839 A840 R845 I846	A834-R842 HydrophobicContact CB-CB 3.95Å; A834-R842 HydrophobicContact CB-CG 3.65Å; E837-R842 IonicContact OE1-NH1 2.72Å; E837-R842 IonicContact OE2-CZ 3.97Å; E837-R842 IonicContact OE2-NH1 3.31Å; E837-R842 PolarHBondContact OE2-NH1 2.87Å; D839-R842 HydrophobicContact CB-CB 3.92Å; D839-R842 WeakPolarHBondContact O-CB 3.21Å; D839-R842 PolarHBondContact O-N 2.87Å; D839-R842 WeakPolarHBondContact OD1-CB 3.49Å; D839-R842 PolarHBondContact OD1-N 3.35Å; D839-R842 WeakPolarHBondContact OD2-CB 3.49Å; A840-R842 VanDerWaalsContact C-N 3.34Å; R842-R845 VanDerWaalsContact N-NH2 3.2Å; R842-R845 PolarHBondContact O-N 2.99Å; R842-I846 HydrophobicContact CG-CD1 3.69Å; R842-I846 HydrophobicContact CG-CG1 4.43Å; R842-I846 WeakPolarHBondContact O-CB 3.35Å; R842-I846 VanDerWaalsContact O-CD1 3.32Å; R842-I846 WeakPolarHBondContact O-CD1 3.33Å; R842-I846 WeakPolarHBondContact O-CG1 3.39Å; R842-I846 PolarHBondContact O-N 2.77Å
843	V	97.9	Very high	96.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-49.6	171.4	177.8	0	0	0	0	110.7	V831 A834 Y835 D839 A840 G841 R845 I846 L847 I898	V831-V843 HydrophobicContact CG1-CG1 3.86Å; V831-V843 HydrophobicContact CG1-CG2 4.23Å; V831-V843 HydrophobicContact CG2-CG1 4.34Å; A834-V843 HydrophobicContact CB-CG2 3.67Å; Y835-V843 HydrophobicContact CD1-CG2 4.02Å; Y835-V843 HydrophobicContact CD2-CG1 4.48Å; Y835-V843 HydrophobicContact CD2-CG2 3.66Å; Y835-V843 HydrophobicContact CE1-CG2 4.03Å; Y835-V843 HydrophobicContact CE2-CB 4.3Å; Y835-V843 HydrophobicContact CE2-CG1 3.7Å; Y835-V843 HydrophobicContact CE2-CG2 3.68Å; Y835-V843 HydrophobicContact CG-CG2 3.84Å; D839-V843 PolarHBondContact O-N 3.42Å; A840-V843 WeakPolarHBondContact O-CB 3.43Å; A840-V843 PolarHBondContact O-N 3.49Å; G841-V843 VanDerWaalsContact C-N 3.35Å; V843-R845 PolarHBondContact O-N 2.92Å; V843-I846 PolarHBondContact O-N 2.86Å; V843-L847 VanDerWaalsContact O-CB 3.29Å; V843-L847 WeakPolarHBondContact O-CB 3.38Å; V843-L847 PolarHBondContact O-N 2.89Å; V843-I898 HydrophobicContact CB-CD1 4.37Å; V843-I898 HydrophobicContact CG1-CD1 4.11Å
844	I	97.8	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-43.3	178.9	-80.3	170.6	0	0	0	112.2	W759 A762 E763 A840 G841 I846 L847 Q848 I898	W759-I844 HydrophobicContact CD2-CD1 3.8Å; W759-I844 HydrophobicContact CD2-CG1 4.47Å; W759-I844 HydrophobicContact CE3-CD1 3.98Å; W759-I844 HydrophobicContact CE3-CG1 4.31Å; W759-I844 HydrophobicContact CG-CD1 4.29Å; W759-I844 HydrophobicContact CH2-CB 4.46Å; W759-I844 HydrophobicContact CH2-CD1 4.27Å; W759-I844 HydrophobicContact CH2-CG1 3.9Å; W759-I844 HydrophobicContact CH2-CG2 3.95Å; W759-I844 HydrophobicContact CZ2-CB 4.35Å; W759-I844 HydrophobicContact CZ2-CD1 4.07Å; W759-I844 HydrophobicContact CZ2-CG1 4.02Å; W759-I844 HydrophobicContact CZ2-CG2 3.46Å; W759-I844 VanDerWaalsContact CZ2-CG2 3.46Å; W759-I844 HydrophobicContact CZ3-CD1 4.22Å; W759-I844 HydrophobicContact CZ3-CG1 4.05Å; A762-I844 HydrophobicContact CB-CD1 3.58Å; E763-I844 HydrophobicContact CB-CD1 3.92Å; E763-I844 HydrophobicContact CB-CG2 4.38Å; E763-I844 HydrophobicContact CG-CG2 4.12Å; A840-I844 PolarHBondContact O-N 3.09Å; G841-I844 PolarHBondContact O-N 3.12Å; I844-I846 VanDerWaalsContact C-N 3.34Å; I844-I846 PolarHBondContact O-N 3.39Å; I844-L847 PolarHBondContact O-N 2.82Å; I844-Q848 HydrophobicContact CG2-CG 4.26Å; I844-Q848 WeakPolarHBondContact O-CB 3.48Å; I844-Q848 WeakPolarHBondContact O-CG 3.43Å; I844-Q848 PolarHBondContact O-N 3.35Å; I844-I898 HydrophobicContact CD1-CD1 4.27Å; I844-I898 HydrophobicContact CD1-CG2 4.48Å; I844-I898 HydrophobicContact CG1-CD1 4.11Å
845	R	97.3	Very high	96.2	Very high	124 Å²	124	39 Å²	39	47%	0.468	19%	0.191	S	C	.	.	H	α-helix	trans	-61.2	-40.6	176.3	-70.1	-178	-62.8	-88.4	6.4	112.2	D839 G841 R842 V843 A849	D839-R845 IonicContact OD1-NH2 2.74Å; D839-R845 PolarHBondContact OD1-NH2 3.1Å; D839-R845 IonicContact OD2-NH2 2.99Å; D839-R845 PolarHBondContact OD2-NH2 3.47Å; G841-R845 WeakPolarHBondContact O-CG 3.5Å; G841-R845 PolarHBondContact O-N 3.39Å; G841-R845 PolarHBondContact O-NH1 2.94Å; R842-R845 VanDerWaalsContact N-NH2 3.2Å; R842-R845 PolarHBondContact O-N 2.99Å; V843-R845 PolarHBondContact O-N 2.92Å; R845-A849 WeakPolarHBondContact O-CB 3.29Å; R845-A849 PolarHBondContact O-N 2.81Å; R845-A849 VanDerWaalsContact O-N 3.12Å
846	I	98.1	Very high	96	Very high	33 Å²	33	41.6 Å²	41.6	17%	0.169	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-42.5	176.7	-64.8	161	0	0	0	110.9	Y827 K830 V831 R842 V843 I844 A849 F850	Y827-I846 HydrophobicContact CD2-CG2 3.59Å; Y827-I846 HydrophobicContact CE2-CG2 3.75Å; K830-I846 HydrophobicContact CB-CD1 4Å; K830-I846 HydrophobicContact CB-CG2 4.41Å; K830-I846 WeakPolarHBondContact O-CD1 3.33Å; V831-I846 HydrophobicContact CG2-CB 4.32Å; V831-I846 HydrophobicContact CG2-CG2 3.86Å; R842-I846 HydrophobicContact CG-CD1 3.69Å; R842-I846 HydrophobicContact CG-CG1 4.43Å; R842-I846 WeakPolarHBondContact O-CB 3.35Å; R842-I846 VanDerWaalsContact O-CD1 3.32Å; R842-I846 WeakPolarHBondContact O-CD1 3.33Å; R842-I846 WeakPolarHBondContact O-CG1 3.39Å; R842-I846 PolarHBondContact O-N 2.77Å; V843-I846 PolarHBondContact O-N 2.86Å; I844-I846 VanDerWaalsContact C-N 3.34Å; I844-I846 PolarHBondContact O-N 3.39Å; I846-A849 PolarHBondContact O-N 3.19Å; I846-F850 WeakPolarHBondContact O-CB 3.21Å; I846-F850 PolarHBondContact O-N 3.16Å
847	L	98.1	Very high	95.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-50.9	175.4	176.9	69	0	0	0	112.3	W759 L787 Y827 V843 I844 A849 F850 I851 V891 V895	W759-L847 HydrophobicContact CH2-CD2 4.02Å; W759-L847 HydrophobicContact CZ3-CD2 3.97Å; L787-L847 HydrophobicContact CD1-CD1 4.21Å; L787-L847 HydrophobicContact CD2-CD2 4.44Å; Y827-L847 WeakPolarHBondContact OH-CD1 3.49Å; V843-L847 VanDerWaalsContact O-CB 3.29Å; V843-L847 WeakPolarHBondContact O-CB 3.38Å; V843-L847 PolarHBondContact O-N 2.89Å; I844-L847 PolarHBondContact O-N 2.82Å; L847-A849 VanDerWaalsContact C-N 3.32Å; L847-A849 PolarHBondContact O-N 3.15Å; L847-F850 PolarHBondContact O-N 3.21Å; L847-I851 HydrophobicContact CD1-CD1 3.56Å; L847-I851 HydrophobicContact CD1-CG1 4.34Å; L847-I851 HydrophobicContact CG-CD1 3.91Å; L847-I851 WeakPolarHBondContact O-CB 3.17Å; L847-I851 WeakPolarHBondContact O-CG1 3.27Å; L847-I851 PolarHBondContact O-N 3Å; L847-V891 HydrophobicContact CD1-CG1 3.79Å; L847-V895 HydrophobicContact CD2-CB 4.24Å; L847-V895 HydrophobicContact CD2-CG2 3.75Å
848	Q	97	Very high	96	Very high	61 Å²	61	40.8 Å²	40.8	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-59.6	-41.7	177.2	-75.4	169.4	-20.4	0	0	111.6	W759 E763 I844 S852	W759-Q848 HydrophobicContact CZ2-CG 4.43Å; E763-Q848 PolarHBondContact OE1-NE2 2.99Å; I844-Q848 HydrophobicContact CG2-CG 4.26Å; I844-Q848 WeakPolarHBondContact O-CB 3.48Å; I844-Q848 WeakPolarHBondContact O-CG 3.43Å; I844-Q848 PolarHBondContact O-N 3.35Å; Q848-S852 WeakPolarHBondContact O-CB 3.4Å; Q848-S852 PolarHBondContact O-N 2.98Å; Q848-S852 PolarHBondContact O-OG 3.42Å
849	A	97.3	Very high	96.2	Very high	50 Å²	50	39.5 Å²	39.5	41%	0.413	21%	0.205	S	C	.	.	H	α-helix	trans	-64.7	-52.6	178.2	0	0	0	0	0	112.1	R845 I846 L847 I851 S852 R853	R845-A849 WeakPolarHBondContact O-CB 3.29Å; R845-A849 PolarHBondContact O-N 2.81Å; R845-A849 VanDerWaalsContact O-N 3.12Å; I846-A849 PolarHBondContact O-N 3.19Å; L847-A849 VanDerWaalsContact C-N 3.32Å; L847-A849 PolarHBondContact O-N 3.15Å; A849-I851 PolarHBondContact O-N 2.73Å; A849-S852 PolarHBondContact O-N 2.87Å; A849-R853 WeakPolarHBondContact O-CB 3.46Å; A849-R853 PolarHBondContact O-N 2.84Å
850	F	98.1	Very high	96.2	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	19%	0.194	C	C	.	.	I	π-helix	trans	-59.6	-44.3	179.9	-176.3	-117.1	0	0	0	111.9	M820 L823 L824 Y827 I846 L847 D854 L855 I887 V891	M820-F850 HydrophobicContact CE-CE2 4.34Å; L823-F850 HydrophobicContact CB-CE2 4.1Å; L824-F850 HydrophobicContact CB-CZ 4.36Å; L824-F850 HydrophobicContact CD1-CE1 4.16Å; L824-F850 HydrophobicContact CD1-CZ 4.09Å; Y827-F850 HydrophobicContact CD1-CD1 4.21Å; Y827-F850 HydrophobicContact CD1-CE1 4.24Å; Y827-F850 HydrophobicContact CD2-CB 3.58Å; Y827-F850 AromaticContact CD2-CD1 3.79Å; Y827-F850 HydrophobicContact CD2-CD1 3.79Å; Y827-F850 HydrophobicContact CD2-CD2 4.24Å; Y827-F850 AromaticContact CD2-CG 3.62Å; Y827-F850 HydrophobicContact CD2-CG 3.62Å; Y827-F850 HydrophobicContact CE1-CD1 4.39Å; Y827-F850 HydrophobicContact CE2-CB 3.85Å; Y827-F850 AromaticContact CE2-CD1 3.99Å; Y827-F850 HydrophobicContact CE2-CD1 3.99Å; Y827-F850 HydrophobicContact CE2-CG 4.11Å; Y827-F850 HydrophobicContact CG-CB 4.42Å; Y827-F850 AromaticContact CG-CD1 3.91Å; Y827-F850 HydrophobicContact CG-CD1 3.91Å; Y827-F850 HydrophobicContact CG-CD2 4.31Å; Y827-F850 HydrophobicContact CG-CE1 4.21Å; Y827-F850 AromaticContact CG-CG 3.97Å; Y827-F850 HydrophobicContact CG-CG 3.97Å; I846-F850 WeakPolarHBondContact O-CB 3.21Å; I846-F850 PolarHBondContact O-N 3.16Å; L847-F850 PolarHBondContact O-N 3.21Å; F850-D854 HydrophobicContact CD2-CB 3.82Å; F850-D854 WeakPolarHBondContact CD2-OD2 3.12Å; F850-D854 HydrophobicContact CE2-CB 4.1Å; F850-D854 WeakPolarHBondContact O-CB 3.24Å; F850-D854 PolarHBondContact O-N 3.18Å; F850-D854 VanDerWaalsContact O-N 3.14Å; F850-L855 HydrophobicContact CD1-CD1 4.03Å; F850-L855 HydrophobicContact CD1-CG 4.19Å; F850-L855 HydrophobicContact CE1-CD1 3.85Å; F850-L855 HydrophobicContact CE1-CD2 4.09Å; F850-L855 HydrophobicContact CE1-CG 4Å; F850-L855 HydrophobicContact CZ-CD2 4Å; F850-L855 HydrophobicContact CZ-CG 4.29Å; F850-L855 PolarHBondContact O-N 3.35Å; F850-I887 HydrophobicContact CE1-CG2 4.44Å; F850-V891 HydrophobicContact CD1-CG2 4.07Å; F850-V891 HydrophobicContact CE1-CG2 3.79Å
851	I	96.8	Very high	96	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.067	21%	0.205	C	C	.	.	I	π-helix	trans	-65	-42.7	177.3	-71.6	171.5	0	0	0	112.1	L787 S790 L847 A849 L855 S856 V891	L787-I851 HydrophobicContact CB-CD1 4.43Å; L787-I851 HydrophobicContact CD1-CD1 3.34Å; L787-I851 HydrophobicContact CG-CD1 4.48Å; S790-I851 WeakPolarHBondContact OG-CG2 3.41Å; L847-I851 HydrophobicContact CD1-CD1 3.56Å; L847-I851 HydrophobicContact CD1-CG1 4.34Å; L847-I851 HydrophobicContact CG-CD1 3.91Å; L847-I851 WeakPolarHBondContact O-CB 3.17Å; L847-I851 WeakPolarHBondContact O-CG1 3.27Å; L847-I851 PolarHBondContact O-N 3Å; A849-I851 PolarHBondContact O-N 2.73Å; I851-L855 HydrophobicContact CG1-CD1 4.28Å; I851-S856 WeakPolarHBondContact O-CB 3.34Å; I851-S856 PolarHBondContact O-N 3.11Å; I851-V891 HydrophobicContact CD1-CG1 4.38Å
852	S	95.1	Very high	95.9	Very high	74 Å²	74	39.3 Å²	39.3	52%	0.517	21%	0.206	S	C	.	.	I	π-helix	trans	-78.4	-49.6	-173.1	-55.3	0	0	0	0	112	Q848 A849 S857	Q848-S852 WeakPolarHBondContact O-CB 3.4Å; Q848-S852 PolarHBondContact O-N 2.98Å; Q848-S852 PolarHBondContact O-OG 3.42Å; A849-S852 PolarHBondContact O-N 2.87Å; S852-S857 VanDerWaalsContact O-CB 3.32Å; S852-S857 WeakPolarHBondContact O-CB 3.3Å; S852-S857 PolarHBondContact O-N 2.85Å
853	R	94.8	Very high	95.8	Very high	157 Å²	157	35.5 Å²	35.5	59%	0.592	19%	0.191	S	C	*	.	I	π-helix	trans	-78.5	-67.8	-176.8	-173.5	-173.9	65.1	172.6	2.3	110.1	A849 S857 F858	A849-R853 WeakPolarHBondContact O-CB 3.46Å; A849-R853 PolarHBondContact O-N 2.84Å; R853-S857 PolarHBondContact O-N 3.34Å; R853-S857 PolarHBondContact O-OG 2.96Å; R853-F858 PolarHBondContact O-N 3.27Å; R853-F858 VanDerWaalsContact O-N 3.14Å
854	D	96.1	Very high	95.6	Very high	14 Å²	14	39.1 Å²	39.1	8%	0.075	21%	0.207	C	C	.	.	I	π-helix	trans	-77.3	-44.4	-162.5	-52.1	-42.1	0	0	0	111.8	M820 L823 F850 Y859	M820-D854 HydrophobicContact CE-CB 4.16Å; L823-D854 HydrophobicContact CD1-CB 4.18Å; F850-D854 HydrophobicContact CD2-CB 3.82Å; F850-D854 WeakPolarHBondContact CD2-OD2 3.12Å; F850-D854 HydrophobicContact CE2-CB 4.1Å; F850-D854 WeakPolarHBondContact O-CB 3.24Å; F850-D854 PolarHBondContact O-N 3.18Å; F850-D854 VanDerWaalsContact O-N 3.14Å; D854-Y859 VanDerWaalsContact O-CB 3.3Å; D854-Y859 WeakPolarHBondContact O-CB 3.35Å; D854-Y859 PolarHBondContact O-N 3.36Å
855	L	96.7	Very high	95.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.213	C	C	.	.	I	π-helix	trans	-80.2	-66.3	176.5	-57.8	-175	0	0	0	112.2	M820 F850 I851 Y859 F860 I887	M820-L855 HydrophobicContact CE-CD2 3.7Å; F850-L855 HydrophobicContact CD1-CD1 4.03Å; F850-L855 HydrophobicContact CD1-CG 4.19Å; F850-L855 HydrophobicContact CE1-CD1 3.85Å; F850-L855 HydrophobicContact CE1-CD2 4.09Å; F850-L855 HydrophobicContact CE1-CG 4Å; F850-L855 HydrophobicContact CZ-CD2 4Å; F850-L855 HydrophobicContact CZ-CG 4.29Å; F850-L855 PolarHBondContact O-N 3.35Å; I851-L855 HydrophobicContact CG1-CD1 4.28Å; L855-Y859 PolarHBondContact O-N 2.97Å; L855-F860 HydrophobicContact CB-CD1 4.41Å; L855-F860 HydrophobicContact CB-CD2 4.46Å; L855-F860 HydrophobicContact CB-CE1 4Å; L855-F860 HydrophobicContact CB-CE2 4.07Å; L855-F860 HydrophobicContact CB-CZ 3.82Å; L855-F860 HydrophobicContact CD1-CZ 4.21Å; L855-F860 HydrophobicContact CD2-CE1 4.25Å; L855-F860 HydrophobicContact CG-CZ 4.43Å; L855-F860 VanDerWaalsContact O-CB 3.23Å; L855-F860 WeakPolarHBondContact O-CB 3.39Å; L855-F860 WeakPolarHBondContact O-CG 3.38Å; L855-F860 PolarHBondContact O-N 3.31Å; L855-I887 HydrophobicContact CD1-CG2 3.77Å; L855-I887 HydrophobicContact CD2-CD1 3.98Å; L855-I887 HydrophobicContact CD2-CG2 3.75Å; L855-I887 HydrophobicContact CG-CG2 4.44Å
856	S	94.1	Very high	95	Very high	58 Å²	58	34.9 Å²	34.9	41%	0.406	19%	0.193	S	C	.	.	I	π-helix	trans	-75.9	-40.1	-164.6	-172.5	0	0	0	0	114.1	I851	I851-S856 WeakPolarHBondContact O-CB 3.34Å; I851-S856 PolarHBondContact O-N 3.11Å
857	S	91.7	Very high	94.8	Very high	77 Å²	77	33.4 Å²	33.4	54%	0.538	19%	0.185	S	C	.	.	I	π-helix	trans	-81.8	-43.1	-179	84.5	0	0	0	0	111.8	S852 R853 S861	S852-S857 VanDerWaalsContact O-CB 3.32Å; S852-S857 WeakPolarHBondContact O-CB 3.3Å; S852-S857 PolarHBondContact O-N 2.85Å; R853-S857 PolarHBondContact O-N 3.34Å; R853-S857 PolarHBondContact O-OG 2.96Å; S857-S861 VanDerWaalsContact O-CB 3.26Å; S857-S861 WeakPolarHBondContact O-CB 3.45Å; S857-S861 PolarHBondContact O-OG 2.85Å
858	F	94.5	Very high	94.6	Very high	25 Å²	25	35.5 Å²	35.5	11%	0.11	19%	0.194	C	C	.	.	I	π-helix	trans	-92.1	-83.1	-177.9	174.3	-112.7	0	0	0	112.6	I816 Y819 M820 R853 F860 S861 V862 V940 L994	I816-F858 HydrophobicContact CD1-CZ 4.24Å; I816-F858 HydrophobicContact CG1-CZ 4.27Å; Y819-F858 HydrophobicContact CD1-CE1 4.08Å; Y819-F858 AromaticContact CE1-CE1 3.92Å; Y819-F858 HydrophobicContact CE1-CE1 3.92Å; Y819-F858 HydrophobicContact CE1-CZ 4.4Å; M820-F858 HydrophobicContact SD-CD1 4Å; M820-F858 HydrophobicContact SD-CE1 3.93Å; R853-F858 PolarHBondContact O-N 3.27Å; R853-F858 VanDerWaalsContact O-N 3.14Å; F858-F860 PolarHBondContact O-N 3.38Å; F858-S861 WeakPolarHBondContact O-CB 3.4Å; F858-S861 PolarHBondContact O-N 3.43Å; F858-V862 HydrophobicContact CD2-CG2 4.4Å; F858-V862 HydrophobicContact CE2-CG2 4.36Å; F858-V862 PolarHBondContact O-N 3.28Å; F858-V940 HydrophobicContact CZ-CG1 3.79Å; F858-L994 HydrophobicContact CE2-CD2 3.72Å; F858-L994 HydrophobicContact CZ-CD2 3.75Å
859	Y	96.5	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-59	-52	-163	-173.6	-131.1	0	0	0	113	I816 D817 M820 D854 L855 S861 V862 I863 A883 L884 I887	I816-Y859 HydrophobicContact CD1-CD2 4.33Å; I816-Y859 HydrophobicContact CG1-CD2 4.24Å; I816-Y859 HydrophobicContact CG1-CE2 4.29Å; D817-Y859 VanDerWaalsContact OD1-CE2 3.31Å; D817-Y859 WeakPolarHBondContact OD1-CE2 3.36Å; D817-Y859 PolarHBondContact OD1-OH 2.68Å; M820-Y859 HydrophobicContact CB-CD2 4.49Å; M820-Y859 HydrophobicContact CB-CE1 4.44Å; M820-Y859 HydrophobicContact CB-CE2 4.36Å; M820-Y859 HydrophobicContact CE-CD1 4.44Å; M820-Y859 HydrophobicContact CE-CG 4.31Å; M820-Y859 HydrophobicContact CG-CD1 3.87Å; M820-Y859 HydrophobicContact CG-CD2 3.33Å; M820-Y859 HydrophobicContact CG-CE1 4.11Å; M820-Y859 HydrophobicContact CG-CE2 3.57Å; M820-Y859 HydrophobicContact CG-CG 3.49Å; M820-Y859 VanDerWaalsContact CG-CG 3.49Å; M820-Y859 HydrophobicContact SD-CD2 4.15Å; M820-Y859 HydrophobicContact SD-CG 3.97Å; D854-Y859 VanDerWaalsContact O-CB 3.3Å; D854-Y859 WeakPolarHBondContact O-CB 3.35Å; D854-Y859 PolarHBondContact O-N 3.36Å; L855-Y859 PolarHBondContact O-N 2.97Å; Y859-S861 PolarHBondContact O-N 3.44Å; Y859-S861 VanDerWaalsContact O-N 3.13Å; Y859-V862 PolarHBondContact O-N 3.33Å; Y859-V862 VanDerWaalsContact O-N 3.17Å; Y859-I863 HydrophobicContact CD1-CD1 3.7Å; Y859-I863 HydrophobicContact CD2-CD1 4.22Å; Y859-I863 HydrophobicContact CD2-CG2 3.62Å; Y859-I863 HydrophobicContact CE1-CD1 3.58Å; Y859-I863 HydrophobicContact CE2-CD1 4.14Å; Y859-I863 HydrophobicContact CE2-CG2 3.33Å; Y859-I863 HydrophobicContact CG-CD1 4.01Å; Y859-I863 HydrophobicContact CG-CG2 4.4Å; Y859-I863 VanDerWaalsContact O-CG1 3.26Å; Y859-I863 WeakPolarHBondContact O-CG1 3.45Å; Y859-I863 PolarHBondContact O-N 3.19Å; Y859-I863 VanDerWaalsContact O-N 3.11Å; Y859-A883 WeakPolarHBondContact OH-CB 3.49Å; Y859-L884 HydrophobicContact CD1-CD2 4.4Å; Y859-L884 HydrophobicContact CE1-CD2 3.83Å; Y859-L884 HydrophobicContact CE1-CG 4.31Å; Y859-I887 HydrophobicContact CD1-CD1 4.19Å; Y859-I887 HydrophobicContact CE1-CD1 3.94Å
860	F	95.8	Very high	94.1	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-20.2	178.3	-64.4	-3.9	0	0	0	112.8	F793 L794 L855 F858 I863 K864 L884	F793-F860 HydrophobicContact CB-CD2 4.43Å; F793-F860 HydrophobicContact CB-CE2 4.12Å; F793-F860 HydrophobicContact CD1-CB 4.32Å; F793-F860 AromaticContact CD1-CD1 3.7Å; F793-F860 HydrophobicContact CD1-CD1 3.7Å; F793-F860 AromaticContact CD1-CD2 3.54Å; F793-F860 HydrophobicContact CD1-CD2 3.54Å; F793-F860 AromaticContact CD1-CE1 3.77Å; F793-F860 HydrophobicContact CD1-CE1 3.77Å; F793-F860 AromaticContact CD1-CE2 3.61Å; F793-F860 HydrophobicContact CD1-CE2 3.61Å; F793-F860 AromaticContact CD1-CG 3.59Å; F793-F860 HydrophobicContact CD1-CG 3.59Å; F793-F860 AromaticContact CD1-CZ 3.73Å; F793-F860 HydrophobicContact CD1-CZ 3.73Å; F793-F860 HydrophobicContact CE1-CB 3.9Å; F793-F860 AromaticContact CE1-CD1 3.55Å; F793-F860 HydrophobicContact CE1-CD1 3.55Å; F793-F860 AromaticContact CE1-CD2 3.98Å; F793-F860 HydrophobicContact CE1-CD2 3.98Å; F793-F860 HydrophobicContact CE1-CE1 4.02Å; F793-F860 HydrophobicContact CE1-CE2 4.4Å; F793-F860 AromaticContact CE1-CG 3.53Å; F793-F860 HydrophobicContact CE1-CG 3.53Å; F793-F860 HydrophobicContact CE1-CZ 4.42Å; F793-F860 HydrophobicContact CG-CD2 4.02Å; F793-F860 HydrophobicContact CG-CE2 4.11Å; F793-F860 HydrophobicContact CG-CG 4.41Å; F793-F860 HydrophobicContact CZ-CB 4.22Å; F793-F860 HydrophobicContact CZ-CG 4.32Å; L794-F860 HydrophobicContact CD2-CE1 3.53Å; L794-F860 HydrophobicContact CD2-CZ 3.51Å; L794-F860 HydrophobicContact CG-CE1 4.41Å; L794-F860 HydrophobicContact CG-CZ 3.9Å; L855-F860 HydrophobicContact CB-CD1 4.41Å; L855-F860 HydrophobicContact CB-CD2 4.46Å; L855-F860 HydrophobicContact CB-CE1 4Å; L855-F860 HydrophobicContact CB-CE2 4.07Å; L855-F860 HydrophobicContact CB-CZ 3.82Å; L855-F860 HydrophobicContact CD1-CZ 4.21Å; L855-F860 HydrophobicContact CD2-CE1 4.25Å; L855-F860 HydrophobicContact CG-CZ 4.43Å; L855-F860 VanDerWaalsContact O-CB 3.23Å; L855-F860 WeakPolarHBondContact O-CB 3.39Å; L855-F860 WeakPolarHBondContact O-CG 3.38Å; L855-F860 PolarHBondContact O-N 3.31Å; F858-F860 PolarHBondContact O-N 3.38Å; F860-I863 HydrophobicContact CD1-CD1 4.31Å; F860-K864 WeakPolarHBondContact O-CD 3.37Å; F860-K864 WeakPolarHBondContact O-CE 3.38Å; F860-K864 VanDerWaalsContact O-CG 3.23Å; F860-K864 WeakPolarHBondContact O-CG 3.31Å; F860-K864 PolarHBondContact O-NZ 2.95Å; F860-L884 HydrophobicContact CD1-CD2 4.44Å; F860-L884 HydrophobicContact CE1-CD2 4.03Å
861	S	91.3	Very high	93.8	Very high	39 Å²	39	33.9 Å²	33.9	27%	0.273	19%	0.185	S	C	.	.	H	α-helix	trans	-79.6	-41.9	175.8	-64.5	0	0	0	0	111.6	S857 F858 Y859 M996	S857-S861 VanDerWaalsContact O-CB 3.26Å; S857-S861 WeakPolarHBondContact O-CB 3.45Å; S857-S861 PolarHBondContact O-OG 2.85Å; F858-S861 WeakPolarHBondContact O-CB 3.4Å; F858-S861 PolarHBondContact O-N 3.43Å; Y859-S861 PolarHBondContact O-N 3.44Å; Y859-S861 VanDerWaalsContact O-N 3.13Å; S861-M996 VanDerWaalsContact O-CE 3.3Å; S861-M996 WeakPolarHBondContact O-CE 3.43Å
862	V	92.1	Very high	93.4	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-56.9	-177.4	176.7	0	0	0	0	111	I816 F858 Y859 K864 E993	I816-V862 HydrophobicContact CD1-CB 4Å; I816-V862 HydrophobicContact CD1-CG1 3.45Å; I816-V862 VanDerWaalsContact CD1-CG1 3.45Å; I816-V862 HydrophobicContact CD1-CG2 4.48Å; F858-V862 HydrophobicContact CD2-CG2 4.4Å; F858-V862 HydrophobicContact CE2-CG2 4.36Å; F858-V862 PolarHBondContact O-N 3.28Å; Y859-V862 PolarHBondContact O-N 3.33Å; Y859-V862 VanDerWaalsContact O-N 3.17Å; V862-K864 PolarHBondContact O-N 2.92Å; V862-E993 HydrophobicContact CG1-CB 4.16Å; V862-E993 HydrophobicContact CG1-CG 3.69Å
863	I	94.7	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-8.3	-168.5	66.8	-166.9	0	0	0	116.5	Y859 F860 D865 R866 L867 L884 E993	Y859-I863 HydrophobicContact CD1-CD1 3.7Å; Y859-I863 HydrophobicContact CD2-CD1 4.22Å; Y859-I863 HydrophobicContact CD2-CG2 3.62Å; Y859-I863 HydrophobicContact CE1-CD1 3.58Å; Y859-I863 HydrophobicContact CE2-CD1 4.14Å; Y859-I863 HydrophobicContact CE2-CG2 3.33Å; Y859-I863 HydrophobicContact CG-CD1 4.01Å; Y859-I863 HydrophobicContact CG-CG2 4.4Å; Y859-I863 VanDerWaalsContact O-CG1 3.26Å; Y859-I863 WeakPolarHBondContact O-CG1 3.45Å; Y859-I863 PolarHBondContact O-N 3.19Å; Y859-I863 VanDerWaalsContact O-N 3.11Å; F860-I863 HydrophobicContact CD1-CD1 4.31Å; I863-D865 VanDerWaalsContact C-N 3.33Å; I863-D865 PolarHBondContact O-N 3.32Å; I863-R866 PolarHBondContact O-N 3.46Å; I863-L867 HydrophobicContact CB-CD1 4.32Å; I863-L867 HydrophobicContact CB-CG 4.44Å; I863-L867 HydrophobicContact CD1-CD1 3.92Å; I863-L867 HydrophobicContact CG1-CD1 3.68Å; I863-L867 HydrophobicContact CG1-CG 4.33Å; I863-L867 WeakPolarHBondContact O-CB 3.44Å; I863-L867 WeakPolarHBondContact O-CG 3.41Å; I863-L867 PolarHBondContact O-N 3.43Å; I863-L884 HydrophobicContact CD1-CD1 4.5Å; I863-L884 HydrophobicContact CD1-CD2 3.96Å; I863-E993 WeakPolarHBondContact CA-OE1 3.34Å
864	K	93.4	Very high	93.2	Very high	75 Å²	75	33.8 Å²	33.8	33%	0.326	19%	0.189	S	C	.	.	H	α-helix	trans	-62.1	-36.4	-174	-83.5	168	179.9	123.8	0	113.3	F793 F860 V862 Y868	F793-K864 HydrophobicContact CZ-CG 4.29Å; F860-K864 WeakPolarHBondContact O-CD 3.37Å; F860-K864 WeakPolarHBondContact O-CE 3.38Å; F860-K864 VanDerWaalsContact O-CG 3.23Å; F860-K864 WeakPolarHBondContact O-CG 3.31Å; F860-K864 PolarHBondContact O-NZ 2.95Å; V862-K864 PolarHBondContact O-N 2.92Å; K864-Y868 HydrophobicContact CB-CE2 4.15Å; K864-Y868 HydrophobicContact CG-CE2 4.11Å; K864-Y868 WeakPolarHBondContact O-CB 3.2Å; K864-Y868 WeakPolarHBondContact O-CD2 3.49Å; K864-Y868 PolarHBondContact O-N 3.43Å
865	D	91.4	Very high	93.1	Very high	26 Å²	26	37.4 Å²	37.4	14%	0.139	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-45.5	177.3	-175.6	44.9	0	0	0	110.6	I863 C869 R1053 R1065	I863-D865 VanDerWaalsContact C-N 3.33Å; I863-D865 PolarHBondContact O-N 3.32Å; D865-C869 WeakPolarHBondContact O-CA 3.4Å; D865-C869 WeakPolarHBondContact O-CB 3.38Å; D865-C869 PolarHBondContact O-N 2.99Å; D865-R1053 WeakPolarHBondContact OD2-CD 3.41Å; D865-R1053 IonicContact OD2-CZ 2.69Å; D865-R1053 IonicContact OD2-NE 3.83Å; D865-R1053 IonicContact OD2-NH1 2.78Å; D865-R1053 PolarHBondContact OD2-NH1 3.02Å; D865-R1065 IonicContact OD1-CZ 3.09Å; D865-R1065 IonicContact OD1-NH1 2.56Å; D865-R1065 IonicContact OD1-NH2 3.33Å; D865-R1065 PolarHBondContact OD1-NH2 3.12Å; D865-R1065 IonicContact OD2-CZ 2.86Å; D865-R1065 VanDerWaalsContact OD2-CZ 3.31Å; D865-R1065 IonicContact OD2-NH1 3.2Å; D865-R1065 PolarHBondContact OD2-NH1 2.84Å; D865-R1065 IonicContact OD2-NH2 3.29Å; D865-R1065 PolarHBondContact OD2-NH2 2.83Å
866	R	92	Very high	92.9	Very high	11 Å²	11	37.5 Å²	37.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-45.7	-179.5	-164.9	173.6	83	-138.6	4.8	112.7	D817 I863 Y868 S870 G876 C880 E993	D817-R866 IonicContact OD1-CZ 2.79Å; D817-R866 IonicContact OD1-NH2 2.73Å; D817-R866 PolarHBondContact OD1-NH2 3Å; D817-R866 IonicContact OD2-CZ 2.81Å; D817-R866 IonicContact OD2-NH2 3.72Å; D817-R866 PolarHBondContact OD2-NH2 3.43Å; I863-R866 PolarHBondContact O-N 3.46Å; R866-Y868 PolarHBondContact O-N 3.27Å; R866-S870 WeakPolarHBondContact O-CB 3.5Å; R866-S870 PolarHBondContact O-N 2.9Å; R866-S870 PolarHBondContact O-OG 2.98Å; R866-S870 VanDerWaalsContact O-OG 3.12Å; R866-G876 PolarHBondContact NE-O 3.37Å; R866-C880 VanDerWaalsContact NH2-CB 3.32Å; R866-C880 PolarHBondContact NH2-SG 3.47Å; R866-E993 WeakPolarHBondContact CB-OE1 3.28Å; R866-E993 IonicContact CZ-OE1 2.73Å; R866-E993 IonicContact CZ-OE2 2.68Å; R866-E993 IonicContact NE-OE1 2.63Å; R866-E993 IonicContact NE-OE2 2.77Å; R866-E993 VanDerWaalsContact NH1-CD 3.26Å; R866-E993 IonicContact NH1-OE1 3.99Å; R866-E993 PolarHBondContact NH1-OE1 2.95Å; R866-E993 VanDerWaalsContact NH1-OE1 3.11Å; R866-E993 IonicContact NH1-OE2 3.9Å; R866-E993 PolarHBondContact NH1-OE2 2.87Å
867	L	93.5	Very high	93	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-43.3	177.6	-77.8	173.4	0	0	0	113.3	F793 N797 I863 R877 C880 Q881 L884	F793-L867 HydrophobicContact CZ-CD1 4.4Å; N797-L867 HydrophobicContact CB-CD1 4.36Å; I863-L867 HydrophobicContact CB-CD1 4.32Å; I863-L867 HydrophobicContact CB-CG 4.44Å; I863-L867 HydrophobicContact CD1-CD1 3.92Å; I863-L867 HydrophobicContact CG1-CD1 3.68Å; I863-L867 HydrophobicContact CG1-CG 4.33Å; I863-L867 WeakPolarHBondContact O-CB 3.44Å; I863-L867 WeakPolarHBondContact O-CG 3.41Å; I863-L867 PolarHBondContact O-N 3.43Å; L867-R877 PolarHBondContact O-NE 3.22Å; L867-C880 HydrophobicContact CD2-CB 3.84Å; L867-C880 VanDerWaalsContact CD2-SG 3.58Å; L867-C880 HydrophobicContact CG-CB 4.47Å; L867-Q881 HydrophobicContact CD2-CG 4.48Å; L867-L884 HydrophobicContact CD1-CD1 3.89Å; L867-L884 HydrophobicContact CD2-CD1 3.79Å; L867-L884 HydrophobicContact CG-CD1 4.44Å
868	Y	93.9	Very high	93.2	Very high	45 Å²	45	32.7 Å²	32.7	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-93.1	-31	-169.8	-55.8	-9.1	0	0	0	113.1	V129 L130 P132 N797 K864 R866	V129-Y868 WeakPolarHBondContact CG1-O 3.43Å; L130-Y868 PolarHBondContact N-O 3.12Å; L130-Y868 WeakPolarHBondContact O-CD1 3.41Å; P132-Y868 HydrophobicContact CG-CD1 4.3Å; P132-Y868 HydrophobicContact CG-CE1 3.42Å; P132-Y868 VanDerWaalsContact CG-CE1 3.42Å; P132-Y868 WeakPolarHBondContact CG-OH 3.42Å; N797-Y868 WeakPolarHBondContact OD1-CE1 3.41Å; K864-Y868 HydrophobicContact CB-CE2 4.15Å; K864-Y868 HydrophobicContact CG-CE2 4.11Å; K864-Y868 WeakPolarHBondContact O-CB 3.2Å; K864-Y868 WeakPolarHBondContact O-CD2 3.49Å; K864-Y868 PolarHBondContact O-N 3.43Å; R866-Y868 PolarHBondContact O-N 3.27Å
869	C	92.8	Very high	93.3	Very high	8 Å²	8	31.5 Å²	31.5	5%	0.054	17%	0.165	C	C	.	.	H	α-helix	trans	-115.8	-10.8	-166.8	-54.7	0	0	0	0	115.2	D865 R1050 C1051	D865-C869 WeakPolarHBondContact O-CA 3.4Å; D865-C869 WeakPolarHBondContact O-CB 3.38Å; D865-C869 PolarHBondContact O-N 2.99Å; C869-R1050 PolarHBondContact O-NH1 2.94Å; C869-R1050 PolarHBondContact O-NH2 3.45Å; C869-C1051 HydrophobicContact CB-CB 3.91Å
870	S	91.1	Very high	93.3	Very high	14 Å²	14	31.5 Å²	31.5	10%	0.098	17%	0.165	C	C	.	.	S	Bend	trans	-74.4	168.4	170.3	-63.3	0	0	0	0	111.9	R866 S874	R866-S870 WeakPolarHBondContact O-CB 3.5Å; R866-S870 PolarHBondContact O-N 2.9Å; R866-S870 PolarHBondContact O-OG 2.98Å; R866-S870 VanDerWaalsContact O-OG 3.12Å; S870-S874 WeakPolarHBondContact CB-OG 3.08Å
871	P	91.3	Very high	93.3	Very high	59 Å²	59	31.2 Å²	31.2	38%	0.383	16%	0.164	S	C	.	.			trans	-58.1	148.7	165.9	-19.2	29.8	0	0	0	111.8	D873 S874 V1069	P871-D873 PolarHBondContact O-N 2.82Å; P871-S874 WeakPolarHBondContact O-CB 3.35Å; P871-S874 PolarHBondContact O-N 3.01Å; P871-S874 PolarHBondContact O-OG 3.44Å; P871-V1069 HydrophobicContact CG-CG2 3.9Å
872	E	89.5	Confident	93.6	Very high	95 Å²	95	29.8 Å²	29.8	44%	0.444	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-44	-175.1	-167.7	163.6	-179.1	0	0	112.8	L130 R877 R878	L130-E872 HydrophobicContact CD1-CB 3.98Å; L130-E872 HydrophobicContact CD1-CG 4.16Å; E872-R877 WeakPolarHBondContact O-CD 3.48Å; E872-R877 PolarHBondContact O-NH1 2.97Å; E872-R878 PolarHBondContact O-NE 2.8Å
873	D	91.1	Very high	93.8	Very high	120 Å²	120	29.5 Å²	29.5	64%	0.642	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	11.3	179.6	-65.1	-58.7	0	0	0	114.9	P871 R878	P871-D873 PolarHBondContact O-N 2.82Å; D873-R878 IonicContact OD1-CZ 3.69Å; D873-R878 IonicContact OD1-NE 3.79Å; D873-R878 PolarHBondContact OD1-NE 2.81Å; D873-R878 IonicContact OD1-NH2 2.84Å; D873-R878 PolarHBondContact OD1-NH2 2.71Å
874	S	93.3	Very high	93.9	Very high	27 Å²	27	29.5 Å²	29.5	19%	0.189	15%	0.152	C	C	.	.			trans	-65.1	140.5	179.6	61.2	0	0	0	0	112.4	S870 P871 G876 R877 R878	S870-S874 WeakPolarHBondContact CB-OG 3.08Å; P871-S874 WeakPolarHBondContact O-CB 3.35Å; P871-S874 PolarHBondContact O-N 3.01Å; P871-S874 PolarHBondContact O-OG 3.44Å; S874-G876 VanDerWaalsContact C-N 3.3Å; S874-G876 PolarHBondContact O-N 3.46Å; S874-R877 WeakPolarHBondContact O-CA 3.23Å; S874-R877 PolarHBondContact O-N 3.27Å; S874-R877 WeakPolarHBondContact OG-CB 3.32Å; S874-R878 PolarHBondContact O-N 3.4Å
875	L	94.4	Very high	94	Very high	91 Å²	91	26.5 Å²	26.5	48%	0.476	14%	0.14	S	C	.	.	H	α-helix	trans	-50.9	-47.4	-179.7	178.8	63.1	0	0	0	112.2	V808 Y814 R877 R878 S879	V808-L875 HydrophobicContact CG1-CD1 3.67Å; V808-L875 HydrophobicContact CG2-CD1 4.05Å; Y814-L875 HydrophobicContact CE1-CG 4.46Å; L875-R877 VanDerWaalsContact C-N 3.28Å; L875-R877 PolarHBondContact O-N 3.1Å; L875-R878 PolarHBondContact O-N 2.95Å; L875-S879 WeakPolarHBondContact O-CB 3.32Å; L875-S879 PolarHBondContact O-N 3.14Å
876	G	93.4	Very high	94.2	Very high	3 Å²	3	27.2 Å²	27.2	3%	0.031	14%	0.142	C	C	.	.	H	α-helix	trans	-63.1	-28.3	177.1	0	0	0	0	0	114.3	R866 S874 C880	R866-G876 PolarHBondContact NE-O 3.37Å; S874-G876 VanDerWaalsContact C-N 3.3Å; S874-G876 PolarHBondContact O-N 3.46Å; G876-C880 WeakPolarHBondContact O-CB 3.33Å; G876-C880 PolarHBondContact O-N 3.39Å
877	R	94.8	Very high	94.4	Very high	17 Å²	17	26.7 Å²	26.7	6%	0.064	14%	0.14	C	C	.	.	H	α-helix	trans	-78.9	-44.3	173.6	-176.1	171.3	176.7	-84.3	0.9	111.7	L867 E872 S874 L875 C880 Q881	L867-R877 PolarHBondContact O-NE 3.22Å; E872-R877 WeakPolarHBondContact O-CD 3.48Å; E872-R877 PolarHBondContact O-NH1 2.97Å; S874-R877 WeakPolarHBondContact O-CA 3.23Å; S874-R877 PolarHBondContact O-N 3.27Å; S874-R877 WeakPolarHBondContact OG-CB 3.32Å; L875-R877 VanDerWaalsContact C-N 3.28Å; L875-R877 PolarHBondContact O-N 3.1Å; R877-C880 WeakPolarHBondContact O-CB 3.43Å; R877-C880 PolarHBondContact O-N 3.2Å; R877-C880 VanDerWaalsContact O-N 3.16Å; R877-Q881 WeakPolarHBondContact O-CG 3.43Å; R877-Q881 PolarHBondContact O-N 2.99Å
878	R	96.3	Very high	94.6	Very high	17 Å²	17	26.8 Å²	26.8	6%	0.064	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-37.7	178.1	-62.7	-52.9	-169.4	175	8.7	112.2	Q806 V808 E872 D873 S874 L875 C880 Q881 T882	Q806-R878 VanDerWaalsContact OE1-CZ 3.23Å; V808-R878 HydrophobicContact CG2-CB 3.66Å; E872-R878 PolarHBondContact O-NE 2.8Å; D873-R878 IonicContact OD1-CZ 3.69Å; D873-R878 IonicContact OD1-NE 3.79Å; D873-R878 PolarHBondContact OD1-NE 2.81Å; D873-R878 IonicContact OD1-NH2 2.84Å; D873-R878 PolarHBondContact OD1-NH2 2.71Å; S874-R878 PolarHBondContact O-N 3.4Å; L875-R878 PolarHBondContact O-N 2.95Å; R878-C880 VanDerWaalsContact C-N 3.34Å; R878-C880 PolarHBondContact O-N 3.08Å; R878-Q881 PolarHBondContact O-N 3.37Å; R878-T882 WeakPolarHBondContact O-CB 3.41Å; R878-T882 PolarHBondContact O-N 2.94Å; R878-T882 PolarHBondContact O-OG1 3.39Å
879	S	96.8	Very high	94.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-55.5	-48.4	167.4	175.9	0	0	0	0	111.1	M813 Y814 D817 L875 Q881 T882 A883	M813-S879 VanDerWaalsContact CA-OG 3.3Å; M813-S879 WeakPolarHBondContact CA-OG 3.17Å; M813-S879 WeakPolarHBondContact CB-OG 3.47Å; M813-S879 WeakPolarHBondContact CE-O 3.43Å; Y814-S879 PolarHBondContact N-OG 3.39Å; D817-S879 VanDerWaalsContact OD2-CB 3.31Å; D817-S879 WeakPolarHBondContact OD2-CB 3.23Å; D817-S879 PolarHBondContact OD2-OG 3.04Å; L875-S879 WeakPolarHBondContact O-CB 3.32Å; L875-S879 PolarHBondContact O-N 3.14Å; S879-Q881 PolarHBondContact O-N 3.5Å; S879-T882 WeakPolarHBondContact O-CB 3.43Å; S879-T882 PolarHBondContact O-N 3.39Å; S879-A883 PolarHBondContact O-N 2.7Å; S879-A883 VanDerWaalsContact O-N 3.12Å
880	C	96.1	Very high	94.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-46.2	178.3	-160	0	0	0	0	112	D817 R866 L867 G876 R877 R878 T882 A883 L884	D817-C880 WeakPolarHBondContact OD2-CA 3.49Å; D817-C880 PolarHBondContact OD2-N 3.19Å; D817-C880 VanDerWaalsContact OD2-N 3.09Å; R866-C880 VanDerWaalsContact NH2-CB 3.32Å; R866-C880 PolarHBondContact NH2-SG 3.47Å; L867-C880 HydrophobicContact CD2-CB 3.84Å; L867-C880 VanDerWaalsContact CD2-SG 3.58Å; L867-C880 HydrophobicContact CG-CB 4.47Å; G876-C880 WeakPolarHBondContact O-CB 3.33Å; G876-C880 PolarHBondContact O-N 3.39Å; R877-C880 WeakPolarHBondContact O-CB 3.43Å; R877-C880 PolarHBondContact O-N 3.2Å; R877-C880 VanDerWaalsContact O-N 3.16Å; R878-C880 VanDerWaalsContact C-N 3.34Å; R878-C880 PolarHBondContact O-N 3.08Å; C880-T882 VanDerWaalsContact C-N 3.33Å; C880-T882 PolarHBondContact O-N 3.09Å; C880-A883 PolarHBondContact O-N 2.62Å; C880-L884 WeakPolarHBondContact O-CB 3.38Å; C880-L884 WeakPolarHBondContact O-CG 3.34Å; C880-L884 PolarHBondContact O-N 3.36Å
881	Q	96.6	Very high	95.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.6	-37.6	178.3	-70.3	-175	-57.6	0	0	112.2	N797 L798 F801 L867 R877 R878 S879 L884 E885	N797-Q881 PolarHBondContact O-NE2 2.85Å; L798-Q881 HydrophobicContact CD2-CB 3.94Å; L798-Q881 HydrophobicContact CD2-CG 4.29Å; L798-Q881 WeakPolarHBondContact CD2-O 3.49Å; F801-Q881 HydrophobicContact CD1-CB 4.36Å; F801-Q881 HydrophobicContact CD2-CB 3.56Å; F801-Q881 HydrophobicContact CD2-CG 4.28Å; F801-Q881 HydrophobicContact CE1-CB 4.39Å; F801-Q881 HydrophobicContact CE2-CB 3.59Å; F801-Q881 HydrophobicContact CG-CB 3.96Å; F801-Q881 HydrophobicContact CZ-CB 4.03Å; L867-Q881 HydrophobicContact CD2-CG 4.48Å; R877-Q881 WeakPolarHBondContact O-CG 3.43Å; R877-Q881 PolarHBondContact O-N 2.99Å; R878-Q881 PolarHBondContact O-N 3.37Å; S879-Q881 PolarHBondContact O-N 3.5Å; Q881-L884 PolarHBondContact O-N 3.24Å; Q881-E885 WeakPolarHBondContact O-CB 3.46Å; Q881-E885 PolarHBondContact O-N 2.93Å
882	T	96.4	Very high	95.3	Very high	10 Å²	10	22 Å²	22	6%	0.061	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-49.3	174.3	-52.3	0	0	0	0	111	A807 V808 M813 R878 S879 C880 E885 E886	A807-T882 WeakPolarHBondContact CA-OG1 3.22Å; A807-T882 HydrophobicContact CB-CG2 4.08Å; V808-T882 PolarHBondContact N-OG1 2.91Å; M813-T882 HydrophobicContact CE-CG2 4.28Å; M813-T882 HydrophobicContact SD-CG2 4.07Å; R878-T882 WeakPolarHBondContact O-CB 3.41Å; R878-T882 PolarHBondContact O-N 2.94Å; R878-T882 PolarHBondContact O-OG1 3.39Å; S879-T882 WeakPolarHBondContact O-CB 3.43Å; S879-T882 PolarHBondContact O-N 3.39Å; C880-T882 VanDerWaalsContact C-N 3.33Å; C880-T882 PolarHBondContact O-N 3.09Å; T882-E885 PolarHBondContact O-N 3.28Å; T882-E886 PolarHBondContact O-N 2.9Å
883	A	96.6	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-38.5	176.5	0	0	0	0	0	113	M813 D817 L821 Y859 S879 C880 E885 I887	M813-A883 HydrophobicContact CE-CB 3.9Å; D817-A883 HydrophobicContact CB-CB 4Å; L821-A883 HydrophobicContact CD2-CB 4.42Å; L821-A883 HydrophobicContact CG-CB 4.34Å; Y859-A883 WeakPolarHBondContact OH-CB 3.49Å; S879-A883 PolarHBondContact O-N 2.7Å; S879-A883 VanDerWaalsContact O-N 3.12Å; C880-A883 PolarHBondContact O-N 2.62Å; A883-E885 VanDerWaalsContact C-N 3.3Å; A883-E885 PolarHBondContact O-N 2.89Å; A883-I887 VanDerWaalsContact O-CB 3.32Å; A883-I887 WeakPolarHBondContact O-CB 3.49Å; A883-I887 VanDerWaalsContact O-CD1 3.23Å; A883-I887 WeakPolarHBondContact O-CD1 3.39Å; A883-I887 WeakPolarHBondContact O-CG1 3.31Å; A883-I887 PolarHBondContact O-N 2.92Å
884	L	97.1	Very high	96	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.3	-31	178.3	-69.8	166.8	0	0	0	113	L794 N797 L798 Y859 F860 I863 L867 C880 Q881 L888	L794-L884 HydrophobicContact CD2-CB 4.25Å; L794-L884 HydrophobicContact CD2-CD2 3.43Å; L794-L884 VanDerWaalsContact CD2-CD2 3.43Å; L794-L884 HydrophobicContact CD2-CG 4.44Å; N797-L884 HydrophobicContact CB-CD1 4.05Å; L798-L884 HydrophobicContact CD2-CB 4.1Å; Y859-L884 HydrophobicContact CD1-CD2 4.4Å; Y859-L884 HydrophobicContact CE1-CD2 3.83Å; Y859-L884 HydrophobicContact CE1-CG 4.31Å; F860-L884 HydrophobicContact CD1-CD2 4.44Å; F860-L884 HydrophobicContact CE1-CD2 4.03Å; I863-L884 HydrophobicContact CD1-CD1 4.5Å; I863-L884 HydrophobicContact CD1-CD2 3.96Å; L867-L884 HydrophobicContact CD1-CD1 3.89Å; L867-L884 HydrophobicContact CD2-CD1 3.79Å; L867-L884 HydrophobicContact CG-CD1 4.44Å; C880-L884 WeakPolarHBondContact O-CB 3.38Å; C880-L884 WeakPolarHBondContact O-CG 3.34Å; C880-L884 PolarHBondContact O-N 3.36Å; Q881-L884 PolarHBondContact O-N 3.24Å; L884-L888 WeakPolarHBondContact O-CB 3.23Å; L884-L888 PolarHBondContact O-N 3.46Å
885	E	95.6	Very high	96.2	Very high	12 Å²	12	10.5 Å²	10.5	6%	0.056	5%	0.053	C	C	.	.	H	α-helix	trans	-74.2	-49.4	176.5	-170.4	-74.6	148.4	0	0	111.1	L798 F801 Q803 Q881 T882 A883 I887 L888 D889	L798-E885 HydrophobicContact CD1-CB 3.96Å; L798-E885 HydrophobicContact CD1-CG 4.35Å; L798-E885 HydrophobicContact CD2-CB 4.06Å; F801-E885 HydrophobicContact CD1-CB 4.33Å; F801-E885 HydrophobicContact CD1-CG 4.43Å; F801-E885 HydrophobicContact CE1-CB 3.96Å; F801-E885 HydrophobicContact CE1-CG 4.21Å; Q803-E885 PolarHBondContact NE2-OE2 2.8Å; Q881-E885 WeakPolarHBondContact O-CB 3.46Å; Q881-E885 PolarHBondContact O-N 2.93Å; T882-E885 PolarHBondContact O-N 3.28Å; A883-E885 VanDerWaalsContact C-N 3.3Å; A883-E885 PolarHBondContact O-N 2.89Å; E885-I887 VanDerWaalsContact C-N 3.28Å; E885-I887 PolarHBondContact O-N 3.17Å; E885-L888 CarbonylContact O-C 3.6Å; E885-L888 WeakPolarHBondContact O-CA 3.35Å; E885-L888 VanDerWaalsContact O-CB 3.31Å; E885-L888 WeakPolarHBondContact O-CB 3.32Å; E885-L888 PolarHBondContact O-N 3.48Å; E885-D889 PolarHBondContact O-N 3.28Å
886	E	95.3	Very high	96.4	Very high	40 Å²	40	6.2 Å²	6.2	19%	0.187	3%	0.03	C	C	.	.	H	α-helix	trans	-59.1	-39.5	175	-70	-81.4	-167.8	0	0	111.7	L821 L824 T882 L888 G890 W931	L821-E886 HydrophobicContact CD2-CB 3.58Å; L821-E886 HydrophobicContact CD2-CG 3.99Å; L824-E886 HydrophobicContact CD2-CB 3.94Å; L824-E886 WeakPolarHBondContact CD2-O 3.14Å; T882-E886 PolarHBondContact O-N 2.9Å; E886-L888 VanDerWaalsContact C-N 3.33Å; E886-G890 PolarHBondContact O-N 3.32Å; E886-W931 HydrophobicContact CB-CH2 4.5Å; E886-W931 VanDerWaalsContact CD-CZ2 3.46Å; E886-W931 HydrophobicContact CG-CZ2 4.17Å; E886-W931 VanDerWaalsContact OE2-CH2 3.31Å; E886-W931 WeakPolarHBondContact OE2-CH2 3.47Å; E886-W931 WeakPolarHBondContact OE2-CZ2 3.3Å
887	I	97	Very high	96.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-37.7	173.2	-68.4	163.4	0	0	0	111.1	L794 M820 L824 F850 L855 Y859 A883 E885 V891	L794-I887 HydrophobicContact CD1-CG2 3.89Å; L794-I887 HydrophobicContact CD2-CG2 4.08Å; M820-I887 HydrophobicContact CB-CD1 4.15Å; L824-I887 HydrophobicContact CD1-CG1 4.35Å; L824-I887 HydrophobicContact CD2-CG1 4.1Å; F850-I887 HydrophobicContact CE1-CG2 4.44Å; L855-I887 HydrophobicContact CD1-CG2 3.77Å; L855-I887 HydrophobicContact CD2-CD1 3.98Å; L855-I887 HydrophobicContact CD2-CG2 3.75Å; L855-I887 HydrophobicContact CG-CG2 4.44Å; Y859-I887 HydrophobicContact CD1-CD1 4.19Å; Y859-I887 HydrophobicContact CE1-CD1 3.94Å; A883-I887 VanDerWaalsContact O-CB 3.32Å; A883-I887 WeakPolarHBondContact O-CB 3.49Å; A883-I887 VanDerWaalsContact O-CD1 3.23Å; A883-I887 WeakPolarHBondContact O-CD1 3.39Å; A883-I887 WeakPolarHBondContact O-CG1 3.31Å; A883-I887 PolarHBondContact O-N 2.92Å; E885-I887 VanDerWaalsContact C-N 3.28Å; E885-I887 PolarHBondContact O-N 3.17Å; I887-V891 HydrophobicContact CG2-CG2 4.22Å; I887-V891 VanDerWaalsContact O-CB 3.29Å; I887-V891 WeakPolarHBondContact O-CB 3.15Å; I887-V891 WeakPolarHBondContact O-CG2 3.32Å; I887-V891 PolarHBondContact O-N 3.31Å
888	L	97	Very high	96.8	Very high	5 Å²	5	5.2 Å²	5.2	3%	0.026	3%	0.026	C	C	.	.	H	α-helix	trans	-66.1	-50.3	177.2	178.1	63.7	0	0	0	111.1	L791 L794 L795 L798 L884 E885 E886 T892 V906 A910	L791-L888 HydrophobicContact CD2-CD1 3.91Å; L794-L888 HydrophobicContact CB-CB 4.18Å; L794-L888 HydrophobicContact CB-CD1 4.06Å; L794-L888 HydrophobicContact CD1-CB 3.99Å; L794-L888 HydrophobicContact CD1-CD1 4.04Å; L795-L888 HydrophobicContact CD2-CD1 4.49Å; L795-L888 HydrophobicContact CD2-CD2 3.61Å; L795-L888 HydrophobicContact CG-CD1 4.2Å; L795-L888 HydrophobicContact CG-CD2 4.02Å; L798-L888 HydrophobicContact CD1-CD2 3.81Å; L884-L888 WeakPolarHBondContact O-CB 3.23Å; L884-L888 PolarHBondContact O-N 3.46Å; E885-L888 CarbonylContact O-C 3.6Å; E885-L888 WeakPolarHBondContact O-CA 3.35Å; E885-L888 VanDerWaalsContact O-CB 3.31Å; E885-L888 WeakPolarHBondContact O-CB 3.32Å; E885-L888 PolarHBondContact O-N 3.48Å; E886-L888 VanDerWaalsContact C-N 3.33Å; L888-T892 WeakPolarHBondContact O-CB 3.42Å; L888-T892 PolarHBondContact O-N 3.16Å; L888-T892 PolarHBondContact O-OG1 3.43Å; L888-V906 HydrophobicContact CD1-CG1 3.71Å; L888-A910 HydrophobicContact CD2-CB 4.14Å
889	D	94.4	Very high	96.9	Very high	16 Å²	16	4.4 Å²	4.4	9%	0.086	2%	0.023	C	C	.	.	H	α-helix	trans	-59.6	-50.6	177.2	-174.9	80.2	0	0	0	110.9	E885 V891 T892 R893	E885-D889 PolarHBondContact O-N 3.28Å; D889-V891 PolarHBondContact O-N 3.31Å; D889-T892 PolarHBondContact O-N 3.31Å; D889-R893 WeakPolarHBondContact O-CB 3.47Å; D889-R893 WeakPolarHBondContact O-CG 3.39Å; D889-R893 PolarHBondContact O-N 3.12Å; D889-R893 IonicContact OD1-CZ 2.72Å; D889-R893 IonicContact OD1-NE 2.79Å; D889-R893 PolarHBondContact OD1-NE 3.09Å; D889-R893 IonicContact OD1-NH2 2.77Å; D889-R893 PolarHBondContact OD1-NH2 2.95Å; D889-R893 VanDerWaalsContact OD2-CD 3.28Å; D889-R893 WeakPolarHBondContact OD2-CD 3.42Å; D889-R893 IonicContact OD2-CZ 2.67Å; D889-R893 IonicContact OD2-NE 3.03Å; D889-R893 PolarHBondContact OD2-NE 3.32Å
890	G	95.7	Very high	97	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.01	2%	0.023	C	C	.	.	H	α-helix	trans	-61.6	-43.1	-178.3	0	0	0	0	0	114.1	E886 S894	E886-G890 PolarHBondContact O-N 3.32Å; G890-S894 VanDerWaalsContact O-CB 3.25Å; G890-S894 WeakPolarHBondContact O-CB 3.45Å; G890-S894 PolarHBondContact O-N 2.95Å; G890-S894 PolarHBondContact O-OG 2.81Å
891	V	97.6	Very high	97.1	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.012	2%	0.023	C	C	.	.	H	α-helix	trans	-75.7	-32.8	177.4	177.9	0	0	0	0	111.8	L787 L791 Y827 L847 F850 I851 I887 D889 S894 V895	L787-V891 HydrophobicContact CD1-CG1 4.21Å; L791-V891 HydrophobicContact CD2-CB 4.35Å; L791-V891 HydrophobicContact CD2-CG1 3.96Å; Y827-V891 HydrophobicContact CE1-CG2 4.22Å; L847-V891 HydrophobicContact CD1-CG1 3.79Å; F850-V891 HydrophobicContact CD1-CG2 4.07Å; F850-V891 HydrophobicContact CE1-CG2 3.79Å; I851-V891 HydrophobicContact CD1-CG1 4.38Å; I887-V891 HydrophobicContact CG2-CG2 4.22Å; I887-V891 VanDerWaalsContact O-CB 3.29Å; I887-V891 WeakPolarHBondContact O-CB 3.15Å; I887-V891 WeakPolarHBondContact O-CG2 3.32Å; I887-V891 PolarHBondContact O-N 3.31Å; D889-V891 PolarHBondContact O-N 3.31Å; V891-S894 WeakPolarHBondContact CA-OG 3.45Å; V891-S894 PolarHBondContact O-OG 2.67Å; V891-V895 PolarHBondContact O-N 3.25Å
892	T	97.1	Very high	97.1	Very high	5 Å²	5	4.8 Å²	4.8	3%	0.031	3%	0.025	C	C	.	.	H	α-helix	trans	-71.8	-43.4	178.5	-50.7	0	0	0	0	110.7	L888 D889 V895 A896 A903 V906 L919	L888-T892 WeakPolarHBondContact O-CB 3.42Å; L888-T892 PolarHBondContact O-N 3.16Å; L888-T892 PolarHBondContact O-OG1 3.43Å; D889-T892 PolarHBondContact O-N 3.31Å; T892-V895 PolarHBondContact O-N 3.24Å; T892-A896 WeakPolarHBondContact O-CB 3.45Å; T892-A896 PolarHBondContact O-N 2.88Å; T892-A896 VanDerWaalsContact O-N 3.09Å; T892-A903 HydrophobicContact CG2-CB 3.97Å; T892-A903 WeakPolarHBondContact CG2-O 3.45Å; T892-V906 HydrophobicContact CG2-CB 3.95Å; T892-V906 HydrophobicContact CG2-CG1 3.74Å; T892-V906 WeakPolarHBondContact OG1-CG1 3.19Å; T892-L919 HydrophobicContact CG2-CD1 3.5Å; T892-L919 VanDerWaalsContact CG2-CD1 3.5Å
893	R	97	Very high	97.2	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.008	2%	0.022	C	C	.	.	H	α-helix	trans	-64.7	-38.3	173.3	-70.1	-179.3	-165.3	-63	-20.9	112.8	D889 V895 A896 L919 S922 G923 W924 I925	D889-R893 WeakPolarHBondContact O-CB 3.47Å; D889-R893 WeakPolarHBondContact O-CG 3.39Å; D889-R893 PolarHBondContact O-N 3.12Å; D889-R893 IonicContact OD1-CZ 2.72Å; D889-R893 IonicContact OD1-NE 2.79Å; D889-R893 PolarHBondContact OD1-NE 3.09Å; D889-R893 IonicContact OD1-NH2 2.77Å; D889-R893 PolarHBondContact OD1-NH2 2.95Å; D889-R893 VanDerWaalsContact OD2-CD 3.28Å; D889-R893 WeakPolarHBondContact OD2-CD 3.42Å; D889-R893 IonicContact OD2-CZ 2.67Å; D889-R893 IonicContact OD2-NE 3.03Å; D889-R893 PolarHBondContact OD2-NE 3.32Å; R893-V895 VanDerWaalsContact C-N 3.28Å; R893-V895 PolarHBondContact O-N 2.76Å; R893-A896 PolarHBondContact O-N 3.31Å; R893-L919 HydrophobicContact CG-CD1 4.32Å; R893-L919 HydrophobicContact CG-CD2 4.41Å; R893-L919 HydrophobicContact CG-CG 4.39Å; R893-S922 PolarHBondContact NH1-OG 3.13Å; R893-S922 PolarHBondContact NH2-OG 2.76Å; R893-S922 VanDerWaalsContact NH2-OG 3.1Å; R893-G923 WeakPolarHBondContact CD-O 3.37Å; R893-G923 PolarHBondContact NH1-O 3.48Å; R893-W924 WeakPolarHBondContact O-CZ3 3.16Å; R893-I925 HydrophobicContact CB-CG1 3.75Å
894	S	97.4	Very high	97.2	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.3	-34.9	-179.8	74.3	0	0	0	0	113.1	Y827 Y835 G890 V891	Y827-S894 WeakPolarHBondContact OH-CB 3.5Å; Y827-S894 PolarHBondContact OH-OG 2.88Å; Y835-S894 VanDerWaalsContact CE2-O 3.28Å; Y835-S894 WeakPolarHBondContact CE2-O 3.43Å; Y835-S894 PolarHBondContact OH-O 3.14Å; G890-S894 VanDerWaalsContact O-CB 3.25Å; G890-S894 WeakPolarHBondContact O-CB 3.45Å; G890-S894 PolarHBondContact O-N 2.95Å; G890-S894 PolarHBondContact O-OG 2.81Å; V891-S894 WeakPolarHBondContact CA-OG 3.45Å; V891-S894 PolarHBondContact O-OG 2.67Å
895	V	97.8	Very high	97.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-93.8	-18.8	-177.6	80.3	0	0	0	0	113.4	L787 L847 V891 T892 R893 P897 I898 L899	L787-V895 HydrophobicContact CD2-CG1 4.44Å; L787-V895 HydrophobicContact CD2-CG2 4.02Å; L847-V895 HydrophobicContact CD2-CB 4.24Å; L847-V895 HydrophobicContact CD2-CG2 3.75Å; V891-V895 PolarHBondContact O-N 3.25Å; T892-V895 PolarHBondContact O-N 3.24Å; R893-V895 VanDerWaalsContact C-N 3.28Å; R893-V895 PolarHBondContact O-N 2.76Å; V895-P897 VanDerWaalsContact C-CD 3.43Å; V895-I898 WeakPolarHBondContact O-CA 3.3Å; V895-I898 PolarHBondContact O-N 2.9Å; V895-L899 HydrophobicContact CG2-CB 4.11Å; V895-L899 HydrophobicContact CG2-CD1 3.7Å; V895-L899 HydrophobicContact CG2-CG 3.81Å; V895-L899 PolarHBondContact O-N 3.26Å
896	A	98.2	Very high	97.1	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-37.2	-177.4	0	0	0	0	0	116.4	L207 T892 R893 I898 P900 A903 L919 F920	L207-A896 HydrophobicContact CD1-CB 4.44Å; T892-A896 WeakPolarHBondContact O-CB 3.45Å; T892-A896 PolarHBondContact O-N 2.88Å; T892-A896 VanDerWaalsContact O-N 3.09Å; R893-A896 PolarHBondContact O-N 3.31Å; A896-I898 VanDerWaalsContact C-N 3.26Å; A896-I898 PolarHBondContact O-N 3.25Å; A896-P900 WeakPolarHBondContact O-CA 3.18Å; A896-A903 HydrophobicContact CB-CB 3.55Å; A896-L919 HydrophobicContact CB-CD2 3.44Å; A896-L919 VanDerWaalsContact CB-CD2 3.44Å; A896-F920 HydrophobicContact CB-CE1 3.96Å; A896-F920 HydrophobicContact CB-CZ 3.99Å; A896-F920 WeakPolarHBondContact O-CZ 3.38Å
897	P	98.5	Very high	97	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.3	173.2	-24.1	35	0	0	0	113.5	I200 R203 F204 L207 R758 Y835 V895 W924	I200-P897 WeakPolarHBondContact CG1-O 3.26Å; I200-P897 HydrophobicContact CG2-CB 4.22Å; R203-P897 HydrophobicContact CB-CB 4.09Å; F204-P897 HydrophobicContact CB-CG 4.27Å; L207-P897 HydrophobicContact CD1-CG 4.12Å; R758-P897 PolarHBondContact NH2-O 2.95Å; Y835-P897 HydrophobicContact CE1-CB 3.91Å; Y835-P897 HydrophobicContact CE1-CG 4.17Å; Y835-P897 HydrophobicContact CE2-CG 4.35Å; V895-P897 VanDerWaalsContact C-CD 3.43Å; P897-W924 HydrophobicContact CG-CH2 4.2Å; P897-W924 HydrophobicContact CG-CZ3 3.82Å
898	I	98.7	Very high	96.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-49.2	-179	-62	166	0	0	0	110.8	I200 R758 A762 Y835 A840 V843 I844 V895 A896 P900	I200-I898 HydrophobicContact CD1-CG1 4.24Å; I200-I898 HydrophobicContact CG1-CG1 4.3Å; I200-I898 HydrophobicContact CG2-CG1 4.33Å; R758-I898 VanDerWaalsContact CB-O 3.29Å; R758-I898 WeakPolarHBondContact CB-O 3.48Å; R758-I898 PolarHBondContact NE-O 2.94Å; A762-I898 HydrophobicContact CB-CB 4.34Å; A762-I898 HydrophobicContact CB-CD1 3.91Å; A762-I898 HydrophobicContact CB-CG1 3.87Å; A762-I898 HydrophobicContact CB-CG2 3.53Å; Y835-I898 HydrophobicContact CE1-CD1 4.28Å; Y835-I898 HydrophobicContact CE1-CG1 4.27Å; Y835-I898 WeakPolarHBondContact OH-CD1 3.25Å; A840-I898 HydrophobicContact CB-CD1 4.5Å; V843-I898 HydrophobicContact CB-CD1 4.37Å; V843-I898 HydrophobicContact CG1-CD1 4.11Å; I844-I898 HydrophobicContact CD1-CD1 4.27Å; I844-I898 HydrophobicContact CD1-CG2 4.48Å; I844-I898 HydrophobicContact CG1-CD1 4.11Å; V895-I898 WeakPolarHBondContact O-CA 3.3Å; V895-I898 PolarHBondContact O-N 2.9Å; A896-I898 VanDerWaalsContact C-N 3.26Å; A896-I898 PolarHBondContact O-N 3.25Å; I898-P900 VanDerWaalsContact C-CD 3.47Å; I898-P900 WeakPolarHBondContact O-CD 3.36Å
899	L	98.5	Very high	96.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.			trans	-116.3	72.6	-175.3	-58.7	-176	0	0	0	111.2	D755 W759 I784 L787 V895 H901 L902 A903	D755-L899 HydrophobicContact CB-CD2 3.83Å; D755-L899 WeakPolarHBondContact O-CD2 3.48Å; D755-L899 WeakPolarHBondContact OD2-CB 3.32Å; W759-L899 HydrophobicContact CB-CD2 4.24Å; W759-L899 HydrophobicContact CE3-CD1 3.88Å; W759-L899 HydrophobicContact CE3-CD2 4.22Å; W759-L899 HydrophobicContact CE3-CG 4.23Å; W759-L899 HydrophobicContact CZ3-CD1 4.12Å; I784-L899 HydrophobicContact CD1-CD2 4.11Å; I784-L899 HydrophobicContact CG1-CD1 3.99Å; I784-L899 HydrophobicContact CG1-CD2 4.29Å; L787-L899 HydrophobicContact CD2-CD1 3.54Å; V895-L899 HydrophobicContact CG2-CB 4.11Å; V895-L899 HydrophobicContact CG2-CD1 3.7Å; V895-L899 HydrophobicContact CG2-CG 3.81Å; V895-L899 PolarHBondContact O-N 3.26Å; L899-H901 VanDerWaalsContact C-N 3.29Å; L899-H901 PolarHBondContact O-N 2.69Å; L899-L902 HydrophobicContact CB-CB 4.12Å; L899-L902 HydrophobicContact CD1-CD2 3.75Å; L899-A903 VanDerWaalsContact O-CB 3.23Å; L899-A903 WeakPolarHBondContact O-CB 3.23Å; L899-A903 PolarHBondContact O-N 3.05Å
900	P	98.3	Very high	96.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.3	-30.1	-175.1	28.6	-36.9	0	0	0	112.7	F158 D755 A896 I898 E904 F920	F158-P900 HydrophobicContact CE2-CB 3.95Å; F158-P900 HydrophobicContact CE2-CG 4.22Å; F158-P900 HydrophobicContact CZ-CB 3.93Å; D755-P900 WeakPolarHBondContact OD1-CD 3.36Å; A896-P900 WeakPolarHBondContact O-CA 3.18Å; I898-P900 VanDerWaalsContact C-CD 3.47Å; I898-P900 WeakPolarHBondContact O-CD 3.36Å; P900-E904 WeakPolarHBondContact O-CB 3.08Å; P900-E904 WeakPolarHBondContact O-CG 3.32Å; P900-E904 PolarHBondContact O-N 2.69Å; P900-F920 HydrophobicContact CB-CE2 3.8Å; P900-F920 HydrophobicContact CB-CZ 3.65Å
901	H	98.1	Very high	95.6	Very high	3 Å²	3	9.1 Å²	9.1	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-74.9	-50.3	-179.5	-48.4	93.3	0	0	0	110.5	E149 Q153 F158 D755 L899 A903 E904 E905	E149-H901 HydrophobicContact CG-CB 4.22Å; Q153-H901 PolarHBondContact NE2-NE2 3.36Å; F158-H901 AromaticContact CE2-CD2 3.8Å; F158-H901 AromaticContact CE2-NE2 3.67Å; F158-H901 AromaticContact CZ-CD2 3.97Å; D755-H901 IonicContact OD1-CE1 3.2Å; D755-H901 IonicContact OD1-CG 3.83Å; D755-H901 IonicContact OD1-ND1 2.76Å; D755-H901 PolarHBondContact OD1-ND1 2.81Å; L899-H901 VanDerWaalsContact C-N 3.29Å; L899-H901 PolarHBondContact O-N 2.69Å; H901-A903 VanDerWaalsContact C-N 3.31Å; H901-A903 PolarHBondContact O-N 2.83Å; H901-E904 PolarHBondContact O-N 3.16Å; H901-E905 WeakPolarHBondContact O-CB 3.23Å; H901-E905 PolarHBondContact O-N 3.43Å
902	L	97.7	Very high	94.3	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-60.2	-39.8	176.1	-178.7	66	0	0	0	112.4	F136 D755 I784 L787 R788 L791 L899 E905 V906	F136-L902 HydrophobicContact CZ-CD1 3.99Å; D755-L902 WeakPolarHBondContact OD2-CB 3.03Å; D755-L902 PolarHBondContact OD2-N 3.47Å; I784-L902 HydrophobicContact CG2-CD2 4.32Å; L787-L902 HydrophobicContact CD2-CD2 3.67Å; L787-L902 HydrophobicContact CG-CD2 4.07Å; R788-L902 HydrophobicContact CB-CD1 4.4Å; R788-L902 HydrophobicContact CG-CD1 4.14Å; L791-L902 HydrophobicContact CD1-CD2 4.29Å; L899-L902 HydrophobicContact CB-CB 4.12Å; L899-L902 HydrophobicContact CD1-CD2 3.75Å; L902-E905 PolarHBondContact O-N 3.14Å; L902-V906 HydrophobicContact CD1-CG2 4.28Å; L902-V906 WeakPolarHBondContact O-CB 3.17Å; L902-V906 VanDerWaalsContact O-CG2 3.29Å; L902-V906 WeakPolarHBondContact O-CG2 3.22Å; L902-V906 PolarHBondContact O-N 3.34Å
903	A	97.4	Very high	93	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.9	-46.1	-178.2	0	0	0	0	0	112.5	T892 A896 L899 H901 V906 Y907 L919	T892-A903 HydrophobicContact CG2-CB 3.97Å; T892-A903 WeakPolarHBondContact CG2-O 3.45Å; A896-A903 HydrophobicContact CB-CB 3.55Å; L899-A903 VanDerWaalsContact O-CB 3.23Å; L899-A903 WeakPolarHBondContact O-CB 3.23Å; L899-A903 PolarHBondContact O-N 3.05Å; H901-A903 VanDerWaalsContact C-N 3.31Å; H901-A903 PolarHBondContact O-N 2.83Å; A903-V906 PolarHBondContact O-N 3.17Å; A903-Y907 WeakPolarHBondContact O-CB 3.29Å; A903-Y907 PolarHBondContact O-N 2.91Å; A903-L919 HydrophobicContact CB-CD1 4.34Å
904	E	96.3	Very high	91.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.6	-35.1	174.3	-71.8	-74.7	-174.9	0	0	111.5	I152 C156 F158 P900 H901 V906 Y907 L908 T918 L919 F920	I152-E904 HydrophobicContact CG2-CB 3.83Å; C156-E904 HydrophobicContact CB-CB 4.19Å; C156-E904 HydrophobicContact CB-CG 4.1Å; F158-E904 HydrophobicContact CE1-CG 4.19Å; P900-E904 WeakPolarHBondContact O-CB 3.08Å; P900-E904 WeakPolarHBondContact O-CG 3.32Å; P900-E904 PolarHBondContact O-N 2.69Å; H901-E904 PolarHBondContact O-N 3.16Å; E904-V906 VanDerWaalsContact C-N 3.33Å; E904-V906 PolarHBondContact O-N 2.79Å; E904-Y907 PolarHBondContact O-N 2.58Å; E904-L908 WeakPolarHBondContact O-CG 3.39Å; E904-L908 PolarHBondContact O-N 2.9Å; E904-T918 VanDerWaalsContact OE1-CB 3.23Å; E904-T918 WeakPolarHBondContact OE1-CB 3.35Å; E904-T918 PolarHBondContact OE1-OG1 2.76Å; E904-T918 VanDerWaalsContact OE1-OG1 3.05Å; E904-T918 WeakPolarHBondContact OE2-CA 3.46Å; E904-T918 WeakPolarHBondContact OE2-CB 3.29Å; E904-L919 PolarHBondContact OE1-N 3.23Å; E904-L919 PolarHBondContact OE2-N 3.35Å; E904-F920 HydrophobicContact CG-CD2 3.91Å; E904-F920 HydrophobicContact CG-CE2 3.77Å; E904-F920 WeakPolarHBondContact OE1-CD2 3.34Å; E904-F920 PolarHBondContact OE1-N 2.71Å
905	E	95.8	Very high	89.8	Confident	5 Å²	5	27.3 Å²	27.3	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-41.6	173.3	-161.8	-169.6	177.3	0	0	112.3	F136 R148 I152 R788 H901 L902 H909	F136-E905 HydrophobicContact CD2-CG 4.29Å; F136-E905 HydrophobicContact CE2-CB 4.25Å; F136-E905 HydrophobicContact CE2-CG 3.88Å; R148-E905 IonicContact NE-OE1 2.78Å; I152-E905 HydrophobicContact CD1-CB 3.65Å; I152-E905 HydrophobicContact CD1-CG 3.89Å; I152-E905 HydrophobicContact CG1-CB 4.42Å; R788-E905 IonicContact CZ-OE1 2.76Å; R788-E905 IonicContact CZ-OE2 3.82Å; R788-E905 VanDerWaalsContact CZ-OE2 3.22Å; R788-E905 IonicContact NH1-OE1 3.99Å; R788-E905 IonicContact NH1-OE2 3.71Å; R788-E905 PolarHBondContact NH1-OE2 3.4Å; R788-E905 IonicContact NH2-OE1 2.71Å; R788-E905 PolarHBondContact NH2-OE1 3.01Å; R788-E905 IonicContact NH2-OE2 3.69Å; R788-E905 PolarHBondContact NH2-OE2 3.32Å; H901-E905 WeakPolarHBondContact O-CB 3.23Å; H901-E905 PolarHBondContact O-N 3.43Å; L902-E905 PolarHBondContact O-N 3.14Å; E905-H909 PolarHBondContact O-ND1 3.16Å
906	V	95.5	Very high	88.1	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-39.5	177.2	165.9	0	0	0	0	110.8	F136 L791 L795 L888 T892 L902 A903 E904 H909 A910	F136-V906 HydrophobicContact CD2-CG2 4.41Å; F136-V906 HydrophobicContact CE1-CG2 4.29Å; F136-V906 HydrophobicContact CE2-CB 4.5Å; F136-V906 HydrophobicContact CE2-CG2 3.51Å; F136-V906 HydrophobicContact CZ-CG2 3.43Å; F136-V906 VanDerWaalsContact CZ-CG2 3.43Å; L791-V906 HydrophobicContact CB-CG2 4.2Å; L791-V906 HydrophobicContact CD1-CG2 4.01Å; L795-V906 HydrophobicContact CD1-CG1 4.19Å; L795-V906 HydrophobicContact CD1-CG2 4.42Å; L888-V906 HydrophobicContact CD1-CG1 3.71Å; T892-V906 HydrophobicContact CG2-CB 3.95Å; T892-V906 HydrophobicContact CG2-CG1 3.74Å; T892-V906 WeakPolarHBondContact OG1-CG1 3.19Å; L902-V906 HydrophobicContact CD1-CG2 4.28Å; L902-V906 WeakPolarHBondContact O-CB 3.17Å; L902-V906 VanDerWaalsContact O-CG2 3.29Å; L902-V906 WeakPolarHBondContact O-CG2 3.22Å; L902-V906 PolarHBondContact O-N 3.34Å; A903-V906 PolarHBondContact O-N 3.17Å; E904-V906 VanDerWaalsContact C-N 3.33Å; E904-V906 PolarHBondContact O-N 2.79Å; V906-H909 PolarHBondContact O-N 2.85Å; V906-H909 VanDerWaalsContact O-N 3.12Å; V906-A910 PolarHBondContact O-N 3.37Å; V906-A910 VanDerWaalsContact O-N 3.1Å
907	Y	93.4	Very high	87.1	Confident	12 Å²	12	36.5 Å²	36.5	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176	-163.5	-114.2	0	0	0	112.3	A903 E904 H909 A910 H913 E917 T918 L919 S922	A903-Y907 WeakPolarHBondContact O-CB 3.29Å; A903-Y907 PolarHBondContact O-N 2.91Å; E904-Y907 PolarHBondContact O-N 2.58Å; Y907-H909 PolarHBondContact O-N 2.92Å; Y907-H909 VanDerWaalsContact O-N 3.09Å; Y907-A910 PolarHBondContact O-N 3.28Å; Y907-A910 VanDerWaalsContact O-N 3.11Å; Y907-H913 AromaticContact CD2-CD2 3.66Å; Y907-H913 AromaticContact CD2-NE2 3.83Å; Y907-H913 AromaticContact CE2-CD2 3.24Å; Y907-H913 WeakPolarHBondContact CE2-CD2 3.34Å; Y907-H913 AromaticContact CE2-CE1 3.75Å; Y907-H913 AromaticContact CE2-CG 3.76Å; Y907-H913 AromaticContact CE2-NE2 3.22Å; Y907-H913 WeakPolarHBondContact CE2-NE2 3.25Å; Y907-H913 AromaticContact CZ-CD2 3.67Å; Y907-H913 AromaticContact CZ-CG 3.69Å; Y907-H913 AromaticContact CZ-ND1 3.96Å; Y907-H913 AromaticContact CZ-NE2 3.93Å; Y907-E917 HydrophobicContact CE1-CB 4.37Å; Y907-T918 VanDerWaalsContact CE1-C 3.4Å; Y907-L919 HydrophobicContact CD1-CB 3.95Å; Y907-L919 VanDerWaalsContact CD1-N 3.26Å; Y907-L919 HydrophobicContact CD2-CB 3.99Å; Y907-L919 HydrophobicContact CD2-CD1 4.08Å; Y907-L919 HydrophobicContact CD2-CG 4.33Å; Y907-L919 HydrophobicContact CE1-CB 4.42Å; Y907-L919 HydrophobicContact CE2-CB 4.46Å; Y907-L919 HydrophobicContact CG-CB 3.71Å; Y907-L919 HydrophobicContact CG-CD1 4.34Å; Y907-L919 HydrophobicContact CG-CG 4.5Å; Y907-S922 PolarHBondContact OH-OG 3.38Å
908	L	91.5	Very high	86.6	Confident	51 Å²	51	36.7 Å²	36.7	27%	0.267	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16	174.7	-72.4	173.5	0	0	0	114.6	E904	E904-L908 WeakPolarHBondContact O-CG 3.39Å; E904-L908 PolarHBondContact O-N 2.9Å
909	H	91.8	Very high	86.3	Confident	55 Å²	55	36.8 Å²	36.8	26%	0.255	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-6.4	177.2	-68.5	83.7	0	0	0	113.7	F136 L795 E905 V906 Y907	F136-H909 HydrophobicContact CB-CB 4.21Å; F136-H909 HydrophobicContact CD2-CB 4.41Å; F136-H909 AromaticContact CD2-CE1 3.97Å; F136-H909 AromaticContact CD2-CG 3.97Å; F136-H909 AromaticContact CD2-ND1 3.69Å; F136-H909 PolarHBondContact N-CD2 3.46Å; L795-H909 HydrophobicContact CD1-CB 4.17Å; L795-H909 HydrophobicContact CD2-CB 4.1Å; L795-H909 WeakPolarHBondContact CD2-O 3.3Å; E905-H909 PolarHBondContact O-ND1 3.16Å; V906-H909 PolarHBondContact O-N 2.85Å; V906-H909 VanDerWaalsContact O-N 3.12Å; Y907-H909 PolarHBondContact O-N 2.92Å; Y907-H909 VanDerWaalsContact O-N 3.09Å
910	A	89.1	Confident	86	Confident	17 Å²	17	36.8 Å²	36.8	14%	0.14	21%	0.205	C	C	.	.	S	Bend	trans	-77.7	143.8	-179.9	0	0	0	0	0	111.1	L795 L888 V906 Y907	L795-A910 HydrophobicContact CD2-CB 4.13Å; L888-A910 HydrophobicContact CD2-CB 4.14Å; V906-A910 PolarHBondContact O-N 3.37Å; V906-A910 VanDerWaalsContact O-N 3.1Å; Y907-A910 PolarHBondContact O-N 3.28Å; Y907-A910 VanDerWaalsContact O-N 3.11Å
911	P	81.4	Confident	85.7	Confident	34 Å²	34	40.5 Å²	40.5	22%	0.221	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	160.5	-179.6	32.8	-37.2	0	0	0	112	L798 F801 H913	L798-P911 HydrophobicContact CB-CG 4.04Å; F801-P911 WeakPolarHBondContact O-CB 3.44Å; P911-H913 PolarHBondContact O-N 3.32Å
912	G	71.1	Confident	85.2	Confident	37 Å²	37	42.6 Å²	42.6	38%	0.381	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-2.9	170.8	0	0	0	0	0	116.3	R804	R804-G912 PolarHBondContact NH2-O 2.99Å
913	H	69	Low	84.9	Confident	54 Å²	54	42.9 Å²	42.9	25%	0.25	24%	0.241	C	C	.	.	S	Bend	trans	-98.5	144.2	171.6	-57.1	-42.6	0	0	0	111.9	Y907 P911	Y907-H913 AromaticContact CD2-CD2 3.66Å; Y907-H913 AromaticContact CD2-NE2 3.83Å; Y907-H913 AromaticContact CE2-CD2 3.24Å; Y907-H913 WeakPolarHBondContact CE2-CD2 3.34Å; Y907-H913 AromaticContact CE2-CE1 3.75Å; Y907-H913 AromaticContact CE2-CG 3.76Å; Y907-H913 AromaticContact CE2-NE2 3.22Å; Y907-H913 WeakPolarHBondContact CE2-NE2 3.25Å; Y907-H913 AromaticContact CZ-CD2 3.67Å; Y907-H913 AromaticContact CZ-CG 3.69Å; Y907-H913 AromaticContact CZ-ND1 3.96Å; Y907-H913 AromaticContact CZ-NE2 3.93Å; P911-H913 PolarHBondContact O-N 3.32Å
914	D	65.6	Low	84.8	Confident	105 Å²	105	44.4 Å²	44.4	56%	0.561	25%	0.246	S	C	*	.			trans	-78.1	135.8	173.1	-73.3	-53.6	0	0	0	110.1	A916 E917	D914-A916 PolarHBondContact O-N 2.93Å; D914-E917 HydrophobicContact CB-CG 4.43Å; D914-E917 PolarHBondContact O-N 2.73Å
915	K	62.1	Low	84.6	Confident	195 Å²	195	45.2 Å²	45.2	85%	0.848	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	2.2	-173.5	-64	-168.5	175.6	-168	0	115.9
916	A	61.6	Low	84	Confident	93 Å²	93	51.6 Å²	51.6	77%	0.769	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-4.6	176.1	0	0	0	0	0	113.1	D914	D914-A916 PolarHBondContact O-N 2.93Å
917	E	77.4	Confident	83.3	Confident	100 Å²	100	53.4 Å²	53.4	47%	0.467	29%	0.291	S	S	.	.			trans	-85.7	154.4	170.3	-63.6	-159.3	131.9	0	0	111	Y907 D914	Y907-E917 HydrophobicContact CE1-CB 4.37Å; D914-E917 HydrophobicContact CB-CG 4.43Å; D914-E917 PolarHBondContact O-N 2.73Å
918	T	87.5	Confident	82.9	Confident	4 Å²	4	55 Å²	55	3%	0.025	30%	0.304	C	S	.	.			trans	-126.6	148.6	178.2	99.2	0	0	0	0	109.2	C156 E904 Y907 F920 K921	C156-T918 HydrophobicContact CB-CG2 4.26Å; E904-T918 VanDerWaalsContact OE1-CB 3.23Å; E904-T918 WeakPolarHBondContact OE1-CB 3.35Å; E904-T918 PolarHBondContact OE1-OG1 2.76Å; E904-T918 VanDerWaalsContact OE1-OG1 3.05Å; E904-T918 WeakPolarHBondContact OE2-CA 3.46Å; E904-T918 WeakPolarHBondContact OE2-CB 3.29Å; Y907-T918 VanDerWaalsContact CE1-C 3.4Å; T918-F920 PolarHBondContact O-N 2.81Å; T918-K921 HydrophobicContact CG2-CD 4.1Å; T918-K921 WeakPolarHBondContact O-CB 3.39Å; T918-K921 PolarHBondContact O-N 3.5Å
919	L	92.6	Very high	82.5	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-39.5	-177.3	-177.5	148.4	0	0	0	111.5	L207 T892 R893 A896 A903 E904 Y907 K921 S922	L207-L919 HydrophobicContact CD2-CD2 4.33Å; T892-L919 HydrophobicContact CG2-CD1 3.5Å; T892-L919 VanDerWaalsContact CG2-CD1 3.5Å; R893-L919 HydrophobicContact CG-CD1 4.32Å; R893-L919 HydrophobicContact CG-CD2 4.41Å; R893-L919 HydrophobicContact CG-CG 4.39Å; A896-L919 HydrophobicContact CB-CD2 3.44Å; A896-L919 VanDerWaalsContact CB-CD2 3.44Å; A903-L919 HydrophobicContact CB-CD1 4.34Å; E904-L919 PolarHBondContact OE1-N 3.23Å; E904-L919 PolarHBondContact OE2-N 3.35Å; Y907-L919 HydrophobicContact CD1-CB 3.95Å; Y907-L919 VanDerWaalsContact CD1-N 3.26Å; Y907-L919 HydrophobicContact CD2-CB 3.99Å; Y907-L919 HydrophobicContact CD2-CD1 4.08Å; Y907-L919 HydrophobicContact CD2-CG 4.33Å; Y907-L919 HydrophobicContact CE1-CB 4.42Å; Y907-L919 HydrophobicContact CE2-CB 4.46Å; Y907-L919 HydrophobicContact CG-CB 3.71Å; Y907-L919 HydrophobicContact CG-CD1 4.34Å; Y907-L919 HydrophobicContact CG-CG 4.5Å; L919-K921 PolarHBondContact O-N 3.19Å; L919-K921 VanDerWaalsContact O-N 3.11Å; L919-S922 PolarHBondContact O-N 3.42Å; L919-S922 VanDerWaalsContact O-N 3.15Å; L919-S922 PolarHBondContact O-OG 3.33Å
920	F	93.2	Very high	82.2	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-15.8	177.7	-69.1	-64.7	0	0	0	114.3	L161 R203 M206 L207 A896 P900 E904 T918	L161-F920 HydrophobicContact CD1-CB 3.6Å; L161-F920 HydrophobicContact CD2-CB 3.81Å; L161-F920 HydrophobicContact CD2-CD2 3.87Å; L161-F920 HydrophobicContact CD2-CG 3.84Å; L161-F920 HydrophobicContact CG-CB 4.35Å; R203-F920 HydrophobicContact CB-CE1 4.24Å; R203-F920 HydrophobicContact CG-CE1 4.23Å; M206-F920 HydrophobicContact CE-CB 3.75Å; M206-F920 HydrophobicContact CE-CD1 3.67Å; M206-F920 HydrophobicContact CE-CG 4.01Å; L207-F920 HydrophobicContact CD1-CD1 4.16Å; L207-F920 HydrophobicContact CD1-CE1 4.14Å; L207-F920 HydrophobicContact CD2-CD1 3.97Å; L207-F920 HydrophobicContact CG-CD1 4.15Å; A896-F920 HydrophobicContact CB-CE1 3.96Å; A896-F920 HydrophobicContact CB-CZ 3.99Å; A896-F920 WeakPolarHBondContact O-CZ 3.38Å; P900-F920 HydrophobicContact CB-CE2 3.8Å; P900-F920 HydrophobicContact CB-CZ 3.65Å; E904-F920 HydrophobicContact CG-CD2 3.91Å; E904-F920 HydrophobicContact CG-CE2 3.77Å; E904-F920 WeakPolarHBondContact OE1-CD2 3.34Å; E904-F920 PolarHBondContact OE1-N 2.71Å; T918-F920 PolarHBondContact O-N 2.81Å
921	K	91.1	Very high	82.1	Confident	78 Å²	78	57.5 Å²	57.5	34%	0.339	33%	0.325	S	S	.	.	H	α-helix	trans	-90.5	-24.7	176.1	-62.1	174.9	-177.4	162.8	0	113.5	W164 T918 L919	W164-K921 HydrophobicContact CD2-CD 4.44Å; W164-K921 HydrophobicContact CD2-CG 4.08Å; W164-K921 HydrophobicContact CE3-CG 4.05Å; W164-K921 VanDerWaalsContact CH2-CA 3.49Å; W164-K921 HydrophobicContact CH2-CB 3.8Å; W164-K921 HydrophobicContact CH2-CG 3.71Å; W164-K921 HydrophobicContact CZ2-CB 3.86Å; W164-K921 HydrophobicContact CZ2-CD 4.43Å; W164-K921 HydrophobicContact CZ2-CG 3.72Å; W164-K921 HydrophobicContact CZ3-CB 4.37Å; W164-K921 HydrophobicContact CZ3-CG 3.86Å; T918-K921 HydrophobicContact CG2-CD 4.1Å; T918-K921 WeakPolarHBondContact O-CB 3.39Å; T918-K921 PolarHBondContact O-N 3.5Å; L919-K921 PolarHBondContact O-N 3.19Å; L919-K921 VanDerWaalsContact O-N 3.11Å
922	S	87.8	Confident	82.2	Confident	46 Å²	46	64.3 Å²	64.3	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-89.8	-6.3	-175	51	0	0	0	0	115.9	R893 Y907 L919	R893-S922 PolarHBondContact NH1-OG 3.13Å; R893-S922 PolarHBondContact NH2-OG 2.76Å; R893-S922 VanDerWaalsContact NH2-OG 3.1Å; Y907-S922 PolarHBondContact OH-OG 3.38Å; L919-S922 PolarHBondContact O-N 3.42Å; L919-S922 VanDerWaalsContact O-N 3.15Å; L919-S922 PolarHBondContact O-OG 3.33Å
923	G	91.4	Very high	82.6	Confident	12 Å²	12	66.7 Å²	66.7	12%	0.124	34%	0.344	C	S	.	.			trans	97.5	-173.2	165.6	0	0	0	0	0	116.4	L207 R893	L207-G923 CarbonylContact O-C 3.55Å; L207-G923 WeakPolarHBondContact O-CA 3.31Å; R893-G923 WeakPolarHBondContact CD-O 3.37Å; R893-G923 PolarHBondContact NH1-O 3.48Å
924	W	95.1	Very high	83.1	Confident	32 Å²	32	68.7 Å²	68.7	12%	0.121	36%	0.362	C	S	.	.	S	Bend	trans	-77.2	168.5	-178.3	-164.6	-117.1	0	0	0	113.3	F204 L207 R208 V831 T832 Y835 R893 P897 K926	F204-W924 HydrophobicContact CD2-CD2 4.4Å; F204-W924 HydrophobicContact CD2-CE3 4.37Å; F204-W924 AromaticContact CD2-CH2 3.81Å; F204-W924 HydrophobicContact CD2-CH2 3.81Å; F204-W924 AromaticContact CD2-CZ2 3.82Å; F204-W924 HydrophobicContact CD2-CZ2 3.82Å; F204-W924 HydrophobicContact CD2-CZ3 4.09Å; F204-W924 HydrophobicContact CE2-CD2 4.44Å; F204-W924 AromaticContact CE2-CE2 3.85Å; F204-W924 HydrophobicContact CE2-CH2 4.21Å; F204-W924 AromaticContact CE2-CZ2 3.72Å; F204-W924 HydrophobicContact CE2-CZ2 3.72Å; L207-W924 HydrophobicContact CB-CB 4.22Å; L207-W924 HydrophobicContact CB-CE3 3.7Å; L207-W924 HydrophobicContact CD1-CE3 3.74Å; L207-W924 HydrophobicContact CD1-CZ3 3.79Å; L207-W924 HydrophobicContact CG-CE3 4.34Å; L207-W924 PolarHBondContact O-N 2.74Å; R208-W924 HydrophobicContact CG-CB 4.1Å; R208-W924 HydrophobicContact CG-CD2 4.39Å; R208-W924 HydrophobicContact CG-CG 3.92Å; V831-W924 HydrophobicContact CG1-CZ2 4.26Å; T832-W924 PolarHBondContact OG1-NE1 3.22Å; Y835-W924 AromaticContact CD2-CH2 3.8Å; Y835-W924 HydrophobicContact CD2-CH2 3.8Å; Y835-W924 AromaticContact CD2-CZ2 3.97Å; Y835-W924 HydrophobicContact CD2-CZ2 3.97Å; Y835-W924 AromaticContact CE2-CH2 3.57Å; Y835-W924 HydrophobicContact CE2-CH2 3.57Å; Y835-W924 HydrophobicContact CE2-CZ2 4.12Å; R893-W924 WeakPolarHBondContact O-CZ3 3.16Å; P897-W924 HydrophobicContact CG-CH2 4.2Å; P897-W924 HydrophobicContact CG-CZ3 3.82Å; W924-K926 PolarHBondContact O-N 3.49Å
925	I	92.6	Very high	83.9	Confident	17 Å²	17	64.2 Å²	64.2	9%	0.087	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-50.7	122.6	-178.6	-50.5	163.9	0	0	0	110.8	S828 R893	S828-I925 VanDerWaalsContact OG-CG2 3.32Å; S828-I925 WeakPolarHBondContact OG-CG2 3.41Å; R893-I925 HydrophobicContact CB-CG1 3.75Å
926	K	83.7	Confident	85.1	Confident	138 Å²	138	55 Å²	55	60%	0.6	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-78.5	133.4	167.7	-60.1	170.2	-168.4	161.9	0	107.6	W924	W924-K926 PolarHBondContact O-N 3.49Å
927	S	80.7	Confident	86.5	Confident	39 Å²	39	53.5 Å²	53.5	27%	0.273	28%	0.277	S	S	.	.			trans	-141	108.1	173.5	-176.6	0	0	0	0	110.3	R825	R825-S927 WeakPolarHBondContact CA-OG 3.42Å; R825-S927 WeakPolarHBondContact CB-OG 3.43Å; R825-S927 WeakPolarHBondContact CG-OG 3.19Å; R825-S927 PolarHBondContact NH1-O 3.33Å; R825-S927 PolarHBondContact NH1-OG 3.46Å
928	S	84.4	Confident	87.1	Confident	47 Å²	47	49.7 Å²	49.7	33%	0.329	26%	0.26	S	S	.	.			trans	-75.2	145.1	-175.7	-161.6	0	0	0	0	111.9	R825 V930	R825-S928 PolarHBondContact NH1-O 3.29Å; S928-V930 VanDerWaalsContact C-N 3.33Å
929	S	84.3	Confident	87.3	Confident	85 Å²	85	49.5 Å²	49.5	59%	0.594	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-72.8	-26.4	174.6	47.8	0	0	0	0	112.5	W931 R932	S929-W931 PolarHBondContact O-N 3.11Å; S929-R932 PolarHBondContact O-N 2.7Å; S929-R932 VanDerWaalsContact O-N 3.1Å
930	V	85.3	Confident	87.4	Confident	75 Å²	75	49.5 Å²	49.5	46%	0.455	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-70.2	-12.3	-178.7	-53.4	0	0	0	0	113.6	P810 S928 R932	P810-V930 HydrophobicContact CB-CG2 4.34Å; P810-V930 HydrophobicContact CG-CG2 3.94Å; S928-V930 VanDerWaalsContact C-N 3.33Å; V930-R932 PolarHBondContact O-N 3.17Å
931	W	86.1	Confident	87.4	Confident	15 Å²	15	54.5 Å²	54.5	6%	0.057	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-72.4	-10.7	171.2	-54.2	-20.9	0	0	0	113	L821 L824 R825 E886 S929	L821-W931 HydrophobicContact CB-CB 3.94Å; L821-W931 HydrophobicContact CB-CD2 3.94Å; L821-W931 HydrophobicContact CB-CE3 4.32Å; L821-W931 HydrophobicContact CB-CG 3.74Å; L821-W931 HydrophobicContact CD1-CG 4.39Å; L821-W931 HydrophobicContact CD2-CD2 4.4Å; L821-W931 HydrophobicContact CD2-CZ2 4.43Å; L824-W931 HydrophobicContact CD2-CH2 4.26Å; L824-W931 HydrophobicContact CD2-CZ3 3.94Å; L824-W931 HydrophobicContact CG-CZ3 4.37Å; R825-W931 HydrophobicContact CB-CE3 4.12Å; E886-W931 HydrophobicContact CB-CH2 4.5Å; E886-W931 VanDerWaalsContact CD-CZ2 3.46Å; E886-W931 HydrophobicContact CG-CZ2 4.17Å; E886-W931 VanDerWaalsContact OE2-CH2 3.31Å; E886-W931 WeakPolarHBondContact OE2-CH2 3.47Å; E886-W931 WeakPolarHBondContact OE2-CZ2 3.3Å; S929-W931 PolarHBondContact O-N 3.11Å
932	R	82.7	Confident	87.6	Confident	176 Å²	176	50.8 Å²	50.8	66%	0.664	27%	0.265	S	S	*	.			trans	-96.3	108.8	173.1	-168.3	-178.9	-170.4	-156.4	1.3	110.4	S929 V930	S929-R932 PolarHBondContact O-N 2.7Å; S929-R932 VanDerWaalsContact O-N 3.1Å; V930-R932 PolarHBondContact O-N 3.17Å
933	R	80.8	Confident	88	Confident	88 Å²	88	48.6 Å²	48.6	33%	0.332	25%	0.25	S	S	.	.			trans	-125	127.9	178	-178	179.6	174.1	-154	-9.1	110	Y815 Q818 L936	Y815-R933 PolarHBondContact OH-NH2 3.13Å; Q818-R933 VanDerWaalsContact OE1-CD 3.3Å; R933-L936 HydrophobicContact CB-CB 4.31Å; R933-L936 HydrophobicContact CB-CD2 4.13Å; R933-L936 WeakPolarHBondContact O-CB 3.36Å
934	P	78.5	Confident	88.1	Confident	96 Å²	96	49.1 Å²	49.1	62%	0.623	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	148.7	172.6	-21.7	33.6	0	0	0	112.2	L936	P934-L936 PolarHBondContact O-N 3.11Å
935	G	82.8	Confident	88.1	Confident	10 Å²	10	49.1 Å²	49.1	10%	0.103	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-10.1	-177.8	0	0	0	0	0	114.5	E938 A939 L976 L1025	G935-E938 WeakPolarHBondContact CA-OE2 3.26Å; G935-E938 PolarHBondContact N-OE2 3.29Å; G935-A939 VanDerWaalsContact O-CB 3.27Å; G935-A939 WeakPolarHBondContact O-CB 3.39Å; G935-A939 PolarHBondContact O-N 3.08Å; G935-L976 WeakPolarHBondContact O-CD2 3.27Å; G935-L1025 VanDerWaalsContact CA-CD2 3.5Å
936	L	87.8	Confident	88.3	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-78.9	-41.1	-176	-178.6	61.2	0	0	0	112.6	Y815 Q818 H822 R933 P934 E938 V940	Y815-L936 HydrophobicContact CD1-CD1 3.92Å; Y815-L936 HydrophobicContact CG-CD1 4.46Å; Y815-L936 WeakPolarHBondContact O-CD1 3.46Å; Q818-L936 HydrophobicContact CB-CD1 3.79Å; Q818-L936 HydrophobicContact CB-CD2 3.81Å; Q818-L936 HydrophobicContact CB-CG 4.45Å; H822-L936 HydrophobicContact CB-CD2 4.21Å; R933-L936 HydrophobicContact CB-CB 4.31Å; R933-L936 HydrophobicContact CB-CD2 4.13Å; R933-L936 WeakPolarHBondContact O-CB 3.36Å; P934-L936 PolarHBondContact O-N 3.11Å; L936-E938 PolarHBondContact N-OE2 2.93Å; L936-V940 PolarHBondContact O-N 3.35Å
937	E	90.1	Very high	88.8	Confident	63 Å²	63	43.3 Å²	43.3	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-49	173.5	-65.6	162.4	-116.8	0	0	108.5	Y819 H822 A939 V940 E941	Y819-E937 HydrophobicContact CE2-CG 4.48Å; H822-E937 IonicContact CE1-OE1 3.25Å; H822-E937 PolarHBondContact CE1-OE1 2.64Å; H822-E937 IonicContact ND1-OE1 3.9Å; H822-E937 IonicContact NE2-OE1 2.82Å; E937-A939 PolarHBondContact O-N 2.76Å; E937-V940 PolarHBondContact O-N 3.24Å; E937-E941 VanDerWaalsContact O-CB 3.29Å; E937-E941 WeakPolarHBondContact O-CB 3.27Å; E937-E941 WeakPolarHBondContact O-CG 3.16Å; E937-E941 PolarHBondContact O-N 3.02Å
938	E	91	Very high	89.4	Confident	20 Å²	20	45.5 Å²	45.5	9%	0.093	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-37.9	-176	-58.9	84.1	169.3	0	0	113.1	G935 L936 G942 L976 I1023 L1025	G935-E938 WeakPolarHBondContact CA-OE2 3.26Å; G935-E938 PolarHBondContact N-OE2 3.29Å; L936-E938 PolarHBondContact N-OE2 2.93Å; E938-G942 WeakPolarHBondContact O-CA 3.29Å; E938-G942 PolarHBondContact O-N 3.2Å; E938-L976 HydrophobicContact CB-CD1 4Å; E938-I1023 HydrophobicContact CB-CG2 4.18Å; E938-I1023 HydrophobicContact CG-CG2 4.05Å; E938-L1025 VanDerWaalsContact CD-CD2 3.48Å; E938-L1025 HydrophobicContact CG-CD2 3.98Å; E938-L1025 HydrophobicContact CG-CG 4.49Å; E938-L1025 WeakPolarHBondContact OE1-CA 3.33Å; E938-L1025 WeakPolarHBondContact OE1-CD2 3.46Å
939	A	92.4	Very high	89.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.7	-48.7	173.7	0	0	0	0	0	112.2	G935 E937 A943 L976 M977 L980	G935-A939 VanDerWaalsContact O-CB 3.27Å; G935-A939 WeakPolarHBondContact O-CB 3.39Å; G935-A939 PolarHBondContact O-N 3.08Å; E937-A939 PolarHBondContact O-N 2.76Å; A939-A943 WeakPolarHBondContact O-CB 3.46Å; A939-A943 PolarHBondContact O-N 2.97Å; A939-L976 HydrophobicContact CB-CB 4.24Å; A939-L976 HydrophobicContact CB-CD2 4.07Å; A939-M977 WeakPolarHBondContact O-CE 3.43Å; A939-L980 HydrophobicContact CB-CD1 4.46Å
940	V	94.2	Very high	90.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-79.8	-36.2	-173.1	-178	0	0	0	0	111.8	Y819 F858 L936 E937 C944 L994	Y819-V940 HydrophobicContact CD1-CB 4.02Å; Y819-V940 HydrophobicContact CD1-CG1 3.57Å; Y819-V940 HydrophobicContact CD1-CG2 4.37Å; Y819-V940 HydrophobicContact CD2-CB 4.07Å; Y819-V940 HydrophobicContact CD2-CG1 4.49Å; Y819-V940 HydrophobicContact CD2-CG2 4.39Å; Y819-V940 HydrophobicContact CE1-CB 4.32Å; Y819-V940 HydrophobicContact CE1-CG1 3.75Å; Y819-V940 HydrophobicContact CE2-CB 4.39Å; Y819-V940 HydrophobicContact CG-CB 3.88Å; Y819-V940 HydrophobicContact CG-CG1 3.96Å; Y819-V940 HydrophobicContact CG-CG2 3.96Å; F858-V940 HydrophobicContact CZ-CG1 3.79Å; L936-V940 PolarHBondContact O-N 3.35Å; E937-V940 PolarHBondContact O-N 3.24Å; V940-C944 WeakPolarHBondContact O-CB 3.42Å; V940-C944 PolarHBondContact O-N 2.79Å; V940-C944 PolarHBondContact O-SG 3.35Å; V940-L994 HydrophobicContact CG1-CD2 4.19Å
941	E	92.8	Very high	90.8	Very high	106 Å²	106	40.3 Å²	40.3	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-69.8	-38.2	171.8	-67.5	-159.1	151.8	0	0	112	E937 C944 A945 F1021	E937-E941 VanDerWaalsContact O-CB 3.29Å; E937-E941 WeakPolarHBondContact O-CB 3.27Å; E937-E941 WeakPolarHBondContact O-CG 3.16Å; E937-E941 PolarHBondContact O-N 3.02Å; E941-C944 CarbonylContact O-C 3.57Å; E941-C944 PolarHBondContact O-N 2.67Å; E941-C944 VanDerWaalsContact O-N 3.12Å; E941-A945 PolarHBondContact O-N 3.07Å; E941-F1021 HydrophobicContact CB-CE2 4.16Å; E941-F1021 HydrophobicContact CB-CZ 4.02Å
942	G	94.5	Very high	91.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-46.3	173.1	0	0	0	0	0	112.2	E938 C944 A945 I946	E938-G942 WeakPolarHBondContact O-CA 3.29Å; E938-G942 PolarHBondContact O-N 3.2Å; G942-C944 VanDerWaalsContact C-N 3.32Å; G942-C944 PolarHBondContact O-N 2.78Å; G942-A945 PolarHBondContact O-N 3.28Å; G942-I946 WeakPolarHBondContact O-CG1 3.28Å; G942-I946 PolarHBondContact O-N 2.94Å; G942-I946 VanDerWaalsContact O-N 3.08Å
943	A	96.1	Very high	91.5	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-37	172.4	0	0	0	0	0	112.3	A939 R947 M977 L980 L991 L994 M995	A939-A943 WeakPolarHBondContact O-CB 3.46Å; A939-A943 PolarHBondContact O-N 2.97Å; A943-R947 WeakPolarHBondContact O-CB 3.47Å; A943-R947 PolarHBondContact O-N 3.14Å; A943-M977 HydrophobicContact CB-CE 4.09Å; A943-M977 HydrophobicContact CB-SD 4.09Å; A943-L980 HydrophobicContact CB-CD1 3.87Å; A943-L991 HydrophobicContact CB-CD1 4.03Å; A943-L994 HydrophobicContact CB-CD1 3.95Å; A943-M995 HydrophobicContact CB-CE 4.31Å; A943-M995 WeakPolarHBondContact O-CE 3.22Å
944	C	94.6	Very high	92	Very high	23 Å²	23	34.1 Å²	34.1	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-39.3	175	-71.5	0	0	0	0	112.7	V940 E941 G942 R947 D948	V940-C944 WeakPolarHBondContact O-CB 3.42Å; V940-C944 PolarHBondContact O-N 2.79Å; V940-C944 PolarHBondContact O-SG 3.35Å; E941-C944 CarbonylContact O-C 3.57Å; E941-C944 PolarHBondContact O-N 2.67Å; E941-C944 VanDerWaalsContact O-N 3.12Å; G942-C944 VanDerWaalsContact C-N 3.32Å; G942-C944 PolarHBondContact O-N 2.78Å; C944-R947 WeakPolarHBondContact O-CB 3.36Å; C944-R947 PolarHBondContact O-N 3.38Å; C944-D948 WeakPolarHBondContact O-CB 3.38Å; C944-D948 PolarHBondContact O-N 2.94Å
945	A	94.6	Very high	91.9	Very high	32 Å²	32	34.7 Å²	34.7	26%	0.264	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-43.4	176.1	0	0	0	0	0	111.8	E941 G942 D948 S949 F1021 Y1036	E941-A945 PolarHBondContact O-N 3.07Å; G942-A945 PolarHBondContact O-N 3.28Å; A945-D948 PolarHBondContact O-N 3.36Å; A945-S949 PolarHBondContact O-N 3.49Å; A945-S949 VanDerWaalsContact O-N 3.11Å; A945-S949 PolarHBondContact O-OG 3.49Å; A945-F1021 HydrophobicContact CB-CD2 3.78Å; A945-F1021 HydrophobicContact CB-CE2 4.35Å; A945-Y1036 PolarHBondContact O-OH 3.05Å
946	I	96.5	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-41.9	174.5	-64.9	163.7	0	0	0	110.8	G942 S949 F950 I966 I968 M977 M995 Y1036 I1038	G942-I946 WeakPolarHBondContact O-CG1 3.28Å; G942-I946 PolarHBondContact O-N 2.94Å; G942-I946 VanDerWaalsContact O-N 3.08Å; I946-S949 WeakPolarHBondContact O-CB 3.48Å; I946-S949 PolarHBondContact O-N 3.11Å; I946-F950 PolarHBondContact O-N 2.94Å; I946-I966 HydrophobicContact CD1-CG2 4.24Å; I946-I966 HydrophobicContact CG2-CD1 3.93Å; I946-I966 HydrophobicContact CG2-CG1 4.05Å; I946-I966 HydrophobicContact CG2-CG2 4.07Å; I946-I968 HydrophobicContact CD1-CD1 4Å; I946-M977 HydrophobicContact CD1-CG 4.35Å; I946-M977 HydrophobicContact CD1-SD 3.93Å; I946-M995 HydrophobicContact CB-CE 3.94Å; I946-M995 HydrophobicContact CG2-CE 3.77Å; I946-M995 HydrophobicContact CG2-SD 4.41Å; I946-Y1036 HydrophobicContact CB-CE2 4.35Å; I946-Y1036 HydrophobicContact CD1-CG 4.47Å; I946-Y1036 HydrophobicContact CG1-CD1 3.92Å; I946-Y1036 HydrophobicContact CG1-CD2 3.87Å; I946-Y1036 HydrophobicContact CG1-CE1 3.92Å; I946-Y1036 HydrophobicContact CG1-CE2 3.89Å; I946-Y1036 HydrophobicContact CG1-CG 3.89Å; I946-I1038 HydrophobicContact CG2-CG2 3.81Å
947	R	94.6	Very high	90.2	Very high	33 Å²	33	46 Å²	46	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-45.3	175.7	-176.7	-167.7	69.8	-145.1	-12.7	112	A943 C944 S949 F950 L951 L994 M995	A943-R947 WeakPolarHBondContact O-CB 3.47Å; A943-R947 PolarHBondContact O-N 3.14Å; C944-R947 WeakPolarHBondContact O-CB 3.36Å; C944-R947 PolarHBondContact O-N 3.38Å; R947-S949 VanDerWaalsContact C-N 3.29Å; R947-S949 PolarHBondContact O-N 2.96Å; R947-F950 CarbonylContact O-C 3.55Å; R947-F950 WeakPolarHBondContact O-CA 3.46Å; R947-F950 WeakPolarHBondContact O-CB 3.45Å; R947-F950 PolarHBondContact O-N 2.85Å; R947-L951 HydrophobicContact CG-CD1 3.9Å; R947-L951 HydrophobicContact CG-CG 4.11Å; R947-L951 WeakPolarHBondContact O-CG 3.12Å; R947-L951 PolarHBondContact O-N 3.04Å; R947-L994 WeakPolarHBondContact CD-O 3.16Å; R947-M995 VanDerWaalsContact CA-SD 3.53Å; R947-M995 HydrophobicContact CB-CE 4.15Å; R947-M995 HydrophobicContact CB-SD 3.58Å; R947-M995 VanDerWaalsContact CB-SD 3.58Å; R947-M995 HydrophobicContact CG-SD 4.12Å
948	D	93.7	Very high	89.9	Confident	85 Å²	85	48.3 Å²	48.3	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-70.3	-32.3	-174.8	-67.4	0.4	0	0	0	110.2	C944 A945 L951 S952	C944-D948 WeakPolarHBondContact O-CB 3.38Å; C944-D948 PolarHBondContact O-N 2.94Å; A945-D948 PolarHBondContact O-N 3.36Å; D948-L951 PolarHBondContact O-N 3.16Å; D948-S952 WeakPolarHBondContact O-CB 3.37Å; D948-S952 PolarHBondContact O-N 3.35Å
949	S	94.8	Very high	89.9	Confident	23 Å²	23	47.7 Å²	47.7	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-46.4	163.3	-75.7	0	0	0	0	112.9	A945 I946 R947 S952 L953 Y1036	A945-S949 PolarHBondContact O-N 3.49Å; A945-S949 VanDerWaalsContact O-N 3.11Å; A945-S949 PolarHBondContact O-OG 3.49Å; I946-S949 WeakPolarHBondContact O-CB 3.48Å; I946-S949 PolarHBondContact O-N 3.11Å; R947-S949 VanDerWaalsContact C-N 3.29Å; R947-S949 PolarHBondContact O-N 2.96Å; S949-S952 WeakPolarHBondContact O-CB 3.1Å; S949-S952 PolarHBondContact O-N 3.31Å; S949-S952 PolarHBondContact O-OG 2.83Å; S949-L953 PolarHBondContact O-N 3.25Å; S949-Y1036 PolarHBondContact OG-OH 3.07Å
950	F	94.7	Very high	89.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-45.3	175.3	157	-136.2	0	0	0	112.6	I946 R947 S952 L953 I954 A959 Y962 L964 M995 A997 I1038 V1040	I946-F950 PolarHBondContact O-N 2.94Å; R947-F950 CarbonylContact O-C 3.55Å; R947-F950 WeakPolarHBondContact O-CA 3.46Å; R947-F950 WeakPolarHBondContact O-CB 3.45Å; R947-F950 PolarHBondContact O-N 2.85Å; F950-S952 PolarHBondContact O-N 3.12Å; F950-L953 PolarHBondContact O-N 3.4Å; F950-L953 VanDerWaalsContact O-N 3.15Å; F950-I954 HydrophobicContact CD2-CG2 4.13Å; F950-I954 HydrophobicContact CE2-CD1 4.24Å; F950-I954 HydrophobicContact CE2-CG2 3.8Å; F950-I954 HydrophobicContact CZ-CD1 4.48Å; F950-A959 HydrophobicContact CE1-CB 3.78Å; F950-A959 HydrophobicContact CZ-CB 3.78Å; F950-Y962 HydrophobicContact CE2-CG 4.46Å; F950-L964 HydrophobicContact CB-CD1 4.03Å; F950-L964 HydrophobicContact CB-CD2 4.27Å; F950-L964 HydrophobicContact CD1-CD2 3.82Å; F950-L964 HydrophobicContact CD2-CD1 4.09Å; F950-L964 HydrophobicContact CE1-CD2 4.28Å; F950-L964 HydrophobicContact CG-CD1 4Å; F950-L964 HydrophobicContact CG-CD2 4.06Å; F950-M995 HydrophobicContact CD1-SD 4.4Å; F950-M995 HydrophobicContact CE1-CB 4.47Å; F950-M995 WeakPolarHBondContact CE1-O 3.46Å; F950-A997 HydrophobicContact CE1-CB 4.17Å; F950-A997 HydrophobicContact CZ-CB 4.34Å; F950-I1038 HydrophobicContact CB-CD1 3.91Å; F950-V1040 HydrophobicContact CD2-CB 4.45Å; F950-V1040 HydrophobicContact CD2-CG1 3.78Å; F950-V1040 HydrophobicContact CD2-CG2 3.74Å; F950-V1040 HydrophobicContact CE2-CG1 3.57Å; F950-V1040 HydrophobicContact CE2-CG2 4.37Å
951	L	92.8	Very high	89.8	Confident	75 Å²	75	53.8 Å²	53.8	39%	0.393	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-24.9	177.7	-68.2	176.5	0	0	0	112.8	R947 D948 I954 A959	R947-L951 HydrophobicContact CG-CD1 3.9Å; R947-L951 HydrophobicContact CG-CG 4.11Å; R947-L951 WeakPolarHBondContact O-CG 3.12Å; R947-L951 PolarHBondContact O-N 3.04Å; D948-L951 PolarHBondContact O-N 3.16Å; L951-I954 HydrophobicContact CD2-CD1 4.13Å; L951-A959 HydrophobicContact CD2-CB 3.93Å
952	S	93.1	Very high	89.8	Confident	91 Å²	91	50.2 Å²	50.2	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-72.3	-26.3	174.3	81.6	0	0	0	0	113.7	D948 S949 F950	D948-S952 WeakPolarHBondContact O-CB 3.37Å; D948-S952 PolarHBondContact O-N 3.35Å; S949-S952 WeakPolarHBondContact O-CB 3.1Å; S949-S952 PolarHBondContact O-N 3.31Å; S949-S952 PolarHBondContact O-OG 2.83Å; F950-S952 PolarHBondContact O-N 3.12Å
953	L	91.6	Very high	89.8	Confident	45 Å²	45	51.5 Å²	51.5	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-81.1	-36.1	-178.8	-72.4	174.7	0	0	0	113.2	S949 F950 L1015 I1038 V1040	S949-L953 PolarHBondContact O-N 3.25Å; F950-L953 PolarHBondContact O-N 3.4Å; F950-L953 VanDerWaalsContact O-N 3.15Å; L953-L1015 HydrophobicContact CB-CB 4.29Å; L953-L1015 HydrophobicContact CB-CD1 4.46Å; L953-L1015 HydrophobicContact CD1-CB 4.25Å; L953-L1015 HydrophobicContact CD2-CB 4.42Å; L953-L1015 WeakPolarHBondContact O-CD1 3.42Å; L953-I1038 HydrophobicContact CD1-CD1 3.83Å; L953-I1038 HydrophobicContact CD1-CG1 4.17Å; L953-V1040 HydrophobicContact CD1-CB 4.5Å; L953-V1040 HydrophobicContact CD1-CG2 3.62Å
954	I	91.1	Very high	89.8	Confident	13 Å²	13	51.5 Å²	51.5	7%	0.067	29%	0.287	C	S	.	.	S	Bend	trans	-82.7	136.1	-166.2	58.1	172.2	0	0	0	113.8	F950 L951 G956 A959 Y962 V1040	F950-I954 HydrophobicContact CD2-CG2 4.13Å; F950-I954 HydrophobicContact CE2-CD1 4.24Å; F950-I954 HydrophobicContact CE2-CG2 3.8Å; F950-I954 HydrophobicContact CZ-CD1 4.48Å; L951-I954 HydrophobicContact CD2-CD1 4.13Å; I954-G956 VanDerWaalsContact C-N 3.32Å; I954-G956 PolarHBondContact O-N 2.93Å; I954-A959 HydrophobicContact CD1-CB 4.2Å; I954-Y962 HydrophobicContact CB-CD2 4.3Å; I954-Y962 HydrophobicContact CB-CE1 4.42Å; I954-Y962 HydrophobicContact CB-CE2 3.89Å; I954-Y962 HydrophobicContact CD1-CD2 4.04Å; I954-Y962 HydrophobicContact CD1-CE2 4.07Å; I954-Y962 HydrophobicContact CG2-CD1 3.86Å; I954-Y962 HydrophobicContact CG2-CD2 3.87Å; I954-Y962 HydrophobicContact CG2-CE1 3.88Å; I954-Y962 HydrophobicContact CG2-CE2 3.88Å; I954-Y962 HydrophobicContact CG2-CG 3.87Å; I954-V1040 HydrophobicContact CG2-CG1 3.68Å
955	P	77	Confident	89.9	Confident	108 Å²	108	51.1 Å²	51.1	70%	0.701	28%	0.284	S	S	*	.	S	Bend	trans	-73.1	82.8	175.3	29.5	-34.9	0	0	0	111.6	Y962	P955-Y962 WeakPolarHBondContact CD-OH 3.46Å
956	G	67.6	Low	90.1	Very high	43 Å²	43	49.6 Å²	49.6	44%	0.443	27%	0.272	S	S	.	.	S	Bend	trans	111.2	165.2	171.9	0	0	0	0	0	115	I954 H958	I954-G956 VanDerWaalsContact C-N 3.32Å; I954-G956 PolarHBondContact O-N 2.93Å; G956-H958 PolarHBondContact O-N 2.88Å
957	K	66.6	Low	90	Very high	206 Å²	206	49.8 Å²	49.8	90%	0.896	27%	0.274	S	S	*	.	S	Bend	trans	-80.8	48.4	-166.2	-57.8	-168.5	176.8	-168.1	0	114.5
958	H	84.8	Confident	90.1	Very high	111 Å²	111	48.4 Å²	48.4	51%	0.514	27%	0.269	S	S	.	.			trans	-133.5	56.1	-173.8	-65.4	-35.6	0	0	0	113	G956 S960 K961 Y962	G956-H958 PolarHBondContact O-N 2.88Å; H958-S960 PolarHBondContact O-N 3.43Å; H958-S960 VanDerWaalsContact O-N 3.08Å; H958-K961 HydrophobicContact CB-CD 4.1Å; H958-K961 HydrophobicContact CB-CG 4.24Å; H958-K961 WeakPolarHBondContact O-CB 3.02Å; H958-K961 PolarHBondContact O-N 3.04Å; H958-Y962 WeakPolarHBondContact O-CD2 3.12Å
959	A	90.5	Very high	90.1	Very high	8 Å²	8	49.8 Å²	49.8	7%	0.066	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-46.8	-36.9	175.2	0	0	0	0	0	113.7	F950 L951 I954 K961 Y962 M996	F950-A959 HydrophobicContact CE1-CB 3.78Å; F950-A959 HydrophobicContact CZ-CB 3.78Å; L951-A959 HydrophobicContact CD2-CB 3.93Å; I954-A959 HydrophobicContact CD1-CB 4.2Å; A959-K961 PolarHBondContact O-N 3.38Å; A959-Y962 PolarHBondContact O-N 3.4Å; A959-M996 CarbonylContact C-O 3.54Å; A959-M996 HydrophobicContact CB-CB 4.41Å
960	S	90.8	Very high	90	Very high	40 Å²	40	53.4 Å²	53.4	28%	0.28	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-67.3	4.1	179.9	58.5	0	0	0	0	115.8	H958 M996 Y1054	H958-S960 PolarHBondContact O-N 3.43Å; H958-S960 VanDerWaalsContact O-N 3.08Å; S960-M996 WeakPolarHBondContact CA-O 3.34Å; S960-M996 WeakPolarHBondContact CB-O 3.15Å; S960-M996 PolarHBondContact N-O 2.84Å; S960-Y1054 WeakPolarHBondContact O-CB 3.31Å; S960-Y1054 WeakPolarHBondContact O-CD2 3.48Å
961	K	92.7	Very high	89.8	Confident	87 Å²	87	54.7 Å²	54.7	38%	0.378	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-104.2	2.7	169.6	-64.1	-173.4	176.8	-171.1	0	113.7	H958 A959 T1043 Y1054	H958-K961 HydrophobicContact CB-CD 4.1Å; H958-K961 HydrophobicContact CB-CG 4.24Å; H958-K961 WeakPolarHBondContact O-CB 3.02Å; H958-K961 PolarHBondContact O-N 3.04Å; A959-K961 PolarHBondContact O-N 3.38Å; K961-T1043 WeakPolarHBondContact O-CG2 3.37Å; K961-T1043 PolarHBondContact O-N 2.85Å; K961-Y1054 WeakPolarHBondContact CE-OH 3.48Å; K961-Y1054 HydrophobicContact CG-CD2 4.07Å; K961-Y1054 HydrophobicContact CG-CE2 3.71Å
962	Y	94.3	Very high	89.7	Confident	31 Å²	31	52.9 Å²	52.9	12%	0.122	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.1	-174.6	-63.7	-91.9	0	0	0	110.9	F950 I954 P955 H958 A959 A998 V1040 M1041 P1042	F950-Y962 HydrophobicContact CE2-CG 4.46Å; I954-Y962 HydrophobicContact CB-CD2 4.3Å; I954-Y962 HydrophobicContact CB-CE1 4.42Å; I954-Y962 HydrophobicContact CB-CE2 3.89Å; I954-Y962 HydrophobicContact CD1-CD2 4.04Å; I954-Y962 HydrophobicContact CD1-CE2 4.07Å; I954-Y962 HydrophobicContact CG2-CD1 3.86Å; I954-Y962 HydrophobicContact CG2-CD2 3.87Å; I954-Y962 HydrophobicContact CG2-CE1 3.88Å; I954-Y962 HydrophobicContact CG2-CE2 3.88Å; I954-Y962 HydrophobicContact CG2-CG 3.87Å; P955-Y962 WeakPolarHBondContact CD-OH 3.46Å; H958-Y962 WeakPolarHBondContact O-CD2 3.12Å; A959-Y962 PolarHBondContact O-N 3.4Å; Y962-A998 WeakPolarHBondContact O-CB 3.4Å; Y962-A998 PolarHBondContact O-N 3.12Å; Y962-V1040 HydrophobicContact CD1-CG1 3.86Å; Y962-V1040 HydrophobicContact CG-CG1 4.14Å; Y962-M1041 CarbonylContact C-O 3.59Å; Y962-M1041 WeakPolarHBondContact CA-O 3.37Å; Y962-M1041 WeakPolarHBondContact CB-O 3.48Å; Y962-P1042 HydrophobicContact CD1-CG 4.41Å; Y962-P1042 HydrophobicContact CE1-CB 4.48Å; Y962-P1042 HydrophobicContact CE1-CG 4.1Å
963	D	94.4	Very high	89.6	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.8	163.8	-63.3	-28.4	0	0	0	107.8	A998 R999 M1041 T1043	D963-A998 WeakPolarHBondContact OD1-CB 3.48Å; D963-R999 HydrophobicContact CB-CB 4.27Å; D963-R999 WeakPolarHBondContact OD1-CB 3.4Å; D963-R999 PolarHBondContact OD1-N 2.91Å; D963-R999 IonicContact OD1-NE 3.76Å; D963-M1041 PolarHBondContact N-O 2.94Å; D963-M1041 PolarHBondContact O-N 3.18Å; D963-T1043 VanDerWaalsContact OD1-CB 3.28Å; D963-T1043 WeakPolarHBondContact OD1-CB 3.49Å; D963-T1043 PolarHBondContact OD1-OG1 2.95Å; D963-T1043 WeakPolarHBondContact OD2-CA 3.39Å; D963-T1043 WeakPolarHBondContact OD2-CB 3.35Å; D963-T1043 PolarHBondContact OD2-OG1 2.94Å
964	L	96	Very high	89.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.4	-178	173.9	67.2	0	0	0	109.4	F950 I966 M995 A997 R999 V1000 N1001 I1038 V1040	F950-L964 HydrophobicContact CB-CD1 4.03Å; F950-L964 HydrophobicContact CB-CD2 4.27Å; F950-L964 HydrophobicContact CD1-CD2 3.82Å; F950-L964 HydrophobicContact CD2-CD1 4.09Å; F950-L964 HydrophobicContact CE1-CD2 4.28Å; F950-L964 HydrophobicContact CG-CD1 4Å; F950-L964 HydrophobicContact CG-CD2 4.06Å; L964-I966 HydrophobicContact CD1-CG1 4.48Å; L964-I966 HydrophobicContact CD2-CD1 3.91Å; L964-I966 HydrophobicContact CD2-CG1 3.84Å; L964-I966 HydrophobicContact CG-CD1 4.43Å; L964-I966 HydrophobicContact CG-CG1 3.86Å; L964-M995 HydrophobicContact CD2-CB 4.2Å; L964-M995 HydrophobicContact CD2-CG 3.77Å; L964-M995 HydrophobicContact CD2-SD 3.51Å; L964-M995 VanDerWaalsContact CD2-SD 3.51Å; L964-A997 HydrophobicContact CB-CB 4.49Å; L964-R999 PolarHBondContact N-O 3.08Å; L964-V1000 HydrophobicContact CB-CG2 4.43Å; L964-V1000 HydrophobicContact CD2-CG2 4.41Å; L964-V1000 CarbonylContact O-C 3.55Å; L964-V1000 WeakPolarHBondContact O-CA 3.5Å; L964-N1001 PolarHBondContact O-N 3.47Å; L964-I1038 HydrophobicContact CD1-CB 4.01Å; L964-I1038 HydrophobicContact CD1-CG2 4.13Å; L964-V1040 HydrophobicContact CD1-CG2 3.83Å
965	T	96.4	Very high	89.8	Confident	15 Å²	15	52.9 Å²	52.9	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.6	167.6	-56.8	0	0	0	0	108.8	N1001 L1006 P1007 I1038 A1039	T965-N1001 WeakPolarHBondContact CA-O 3.43Å; T965-N1001 HydrophobicContact CG2-CB 4.2Å; T965-N1001 PolarHBondContact OG1-ND2 3.42Å; T965-L1006 HydrophobicContact CG2-CD2 4.39Å; T965-P1007 HydrophobicContact CG2-CG 4.49Å; T965-I1038 VanDerWaalsContact O-CA 3.29Å; T965-I1038 WeakPolarHBondContact O-CA 3.47Å; T965-A1039 PolarHBondContact N-O 2.89Å; T965-A1039 PolarHBondContact O-N 3.1Å
966	I	97.3	Very high	90.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.5	177.9	-54.6	172.4	0	0	0	107.3	I946 L964 I968 L991 M995 V1000 N1001 L1002 T1003 I1038	I946-I966 HydrophobicContact CD1-CG2 4.24Å; I946-I966 HydrophobicContact CG2-CD1 3.93Å; I946-I966 HydrophobicContact CG2-CG1 4.05Å; I946-I966 HydrophobicContact CG2-CG2 4.07Å; L964-I966 HydrophobicContact CD1-CG1 4.48Å; L964-I966 HydrophobicContact CD2-CD1 3.91Å; L964-I966 HydrophobicContact CD2-CG1 3.84Å; L964-I966 HydrophobicContact CG-CD1 4.43Å; L964-I966 HydrophobicContact CG-CG1 3.86Å; I966-I968 HydrophobicContact CG2-CD1 3.66Å; I966-I968 HydrophobicContact CG2-CG1 3.95Å; I966-L991 HydrophobicContact CD1-CD1 4.41Å; I966-L991 HydrophobicContact CD1-CD2 4.07Å; I966-L991 HydrophobicContact CD1-CG 4.28Å; I966-M995 HydrophobicContact CD1-CE 3.86Å; I966-M995 HydrophobicContact CD1-SD 4.39Å; I966-V1000 HydrophobicContact CD1-CG1 3.65Å; I966-V1000 HydrophobicContact CG1-CG1 4.19Å; I966-N1001 PolarHBondContact N-O 3.17Å; I966-L1002 HydrophobicContact CB-CD1 4.28Å; I966-L1002 HydrophobicContact CG2-CD1 4.21Å; I966-T1003 PolarHBondContact O-N 3.04Å; I966-I1038 HydrophobicContact CG1-CG2 4.32Å
967	A	96.1	Very high	91.9	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.6	178.9	0	0	0	0	0	110.8	T1003 L1006 S1037	A967-T1003 VanDerWaalsContact CA-O 3.3Å; A967-T1003 WeakPolarHBondContact CA-O 3.2Å; A967-L1006 HydrophobicContact CB-CB 4.41Å; A967-L1006 HydrophobicContact CB-CD2 3.71Å; A967-L1006 HydrophobicContact CB-CG 3.74Å; A967-S1037 PolarHBondContact N-O 3.49Å; A967-S1037 PolarHBondContact O-N 2.93Å
968	I	96.2	Very high	93.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.3	-177.5	-56.3	159.3	0	0	0	106.9	I946 I966 L973 F974 M977 L1002 T1003 S1004	I946-I968 HydrophobicContact CD1-CD1 4Å; I966-I968 HydrophobicContact CG2-CD1 3.66Å; I966-I968 HydrophobicContact CG2-CG1 3.95Å; I968-L973 HydrophobicContact CD1-CD2 4.18Å; I968-L973 HydrophobicContact CD1-CG 4.1Å; I968-L973 HydrophobicContact CG1-CD2 4.4Å; I968-L973 HydrophobicContact CG2-CB 3.98Å; I968-L973 HydrophobicContact CG2-CD2 4.03Å; I968-L973 HydrophobicContact CG2-CG 4.11Å; I968-F974 HydrophobicContact CB-CB 4.49Å; I968-F974 HydrophobicContact CB-CD2 4.18Å; I968-F974 HydrophobicContact CG2-CB 4.16Å; I968-F974 WeakPolarHBondContact O-CD2 3.33Å; I968-M977 HydrophobicContact CD1-CB 4.37Å; I968-M977 HydrophobicContact CD1-CG 3.58Å; I968-L1002 HydrophobicContact CD1-CD1 4.3Å; I968-T1003 PolarHBondContact N-O 3.44Å; I968-T1003 VanDerWaalsContact N-O 3.14Å; I968-S1004 CarbonylContact C-O 3.53Å; I968-S1004 CarbonylContact O-C 3.52Å; I968-S1004 VanDerWaalsContact O-CA 3.29Å; I968-S1004 WeakPolarHBondContact O-CA 3.48Å
969	E	93.2	Very high	93.6	Very high	113 Å²	113	36.7 Å²	36.7	53%	0.528	20%	0.198	S	C	.	.			trans	-68.9	146.2	178.7	-59.5	-154.5	126.9	0	0	111.1	G971 K1005	E969-G971 PolarHBondContact O-N 3.31Å; E969-K1005 WeakPolarHBondContact OE1-CE 3.25Å; E969-K1005 IonicContact OE1-NZ 2.75Å; E969-K1005 PolarHBondContact OE1-NZ 3.07Å
970	P	92.4	Very high	93.9	Very high	99 Å²	99	36.4 Å²	36.4	64%	0.643	20%	0.196	S	C	*	.	S	Bend	trans	-57.2	123.3	-176.8	-26.5	36	0	0	0	112.3
971	G	90.2	Very high	94.1	Very high	27 Å²	27	34.8 Å²	34.8	28%	0.278	18%	0.184	S	C	.	.	S	Bend	trans	164.7	-172.3	-169	0	0	0	0	0	109.8	E969 L973 F974 E975	E969-G971 PolarHBondContact O-N 3.31Å; G971-L973 VanDerWaalsContact C-N 3.35Å; G971-L973 PolarHBondContact O-N 3.17Å; G971-F974 WeakPolarHBondContact O-CA 3.27Å; G971-F974 WeakPolarHBondContact O-CB 3.45Å; G971-F974 PolarHBondContact O-N 2.99Å; G971-E975 PolarHBondContact O-N 2.74Å; G971-E975 VanDerWaalsContact O-N 3.07Å
972	L	90.8	Very high	94.1	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.199	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-36.5	-165.6	-174.3	59.3	0	0	0	113.7	F974 L976 I1023 L1025 I1030	L972-F974 VanDerWaalsContact C-N 3.34Å; L972-F974 PolarHBondContact O-N 2.86Å; L972-L976 HydrophobicContact CG-CD1 4.37Å; L972-L976 WeakPolarHBondContact O-CB 3.38Å; L972-L976 WeakPolarHBondContact O-CG 3.44Å; L972-L976 PolarHBondContact O-N 2.84Å; L972-I1023 HydrophobicContact CB-CD1 3.71Å; L972-I1023 HydrophobicContact CD2-CB 4.44Å; L972-I1023 HydrophobicContact CD2-CD1 3.87Å; L972-I1023 HydrophobicContact CD2-CG2 3.76Å; L972-I1023 HydrophobicContact CG-CD1 3.66Å; L972-I1023 HydrophobicContact CG-CG2 4.31Å; L972-L1025 HydrophobicContact CD1-CD1 4.35Å; L972-L1025 HydrophobicContact CD2-CD1 3.73Å; L972-I1030 HydrophobicContact CD2-CG2 4.13Å
973	L	92.3	Very high	94	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-67.3	-34.1	174.1	-172.8	62	0	0	0	112.5	I968 G971 M977 F1021 I1023 Y1036	I968-L973 HydrophobicContact CD1-CD2 4.18Å; I968-L973 HydrophobicContact CD1-CG 4.1Å; I968-L973 HydrophobicContact CG1-CD2 4.4Å; I968-L973 HydrophobicContact CG2-CB 3.98Å; I968-L973 HydrophobicContact CG2-CD2 4.03Å; I968-L973 HydrophobicContact CG2-CG 4.11Å; G971-L973 VanDerWaalsContact C-N 3.35Å; G971-L973 PolarHBondContact O-N 3.17Å; L973-M977 HydrophobicContact CD1-CE 4.25Å; L973-M977 WeakPolarHBondContact O-CG 3.49Å; L973-M977 PolarHBondContact O-N 2.96Å; L973-F1021 HydrophobicContact CD1-CD1 3.92Å; L973-F1021 HydrophobicContact CD2-CB 4.17Å; L973-I1023 HydrophobicContact CB-CD1 3.98Å; L973-Y1036 HydrophobicContact CD2-CD1 4.38Å
974	F	94.2	Very high	93.9	Very high	27 Å²	27	46.7 Å²	46.7	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-47.3	177.6	-171.8	-98.6	0	0	0	110.3	I968 G971 L972 L976 M977 E978 L1002	I968-F974 HydrophobicContact CB-CB 4.49Å; I968-F974 HydrophobicContact CB-CD2 4.18Å; I968-F974 HydrophobicContact CG2-CB 4.16Å; I968-F974 WeakPolarHBondContact O-CD2 3.33Å; G971-F974 WeakPolarHBondContact O-CA 3.27Å; G971-F974 WeakPolarHBondContact O-CB 3.45Å; G971-F974 PolarHBondContact O-N 2.99Å; L972-F974 VanDerWaalsContact C-N 3.34Å; L972-F974 PolarHBondContact O-N 2.86Å; F974-L976 VanDerWaalsContact C-N 3.31Å; F974-L976 PolarHBondContact O-N 2.8Å; F974-M977 CarbonylContact O-C 3.55Å; F974-M977 PolarHBondContact O-N 3.13Å; F974-E978 HydrophobicContact CD1-CG 4.05Å; F974-E978 WeakPolarHBondContact CD1-OE2 3.12Å; F974-E978 HydrophobicContact CE1-CG 3.79Å; F974-E978 VanDerWaalsContact CE1-OE1 3.25Å; F974-E978 WeakPolarHBondContact CE1-OE1 3.14Å; F974-E978 WeakPolarHBondContact CE1-OE2 3.41Å; F974-E978 HydrophobicContact CZ-CG 4.23Å; F974-E978 PolarHBondContact O-N 3.41Å; F974-L1002 HydrophobicContact CD2-CD1 4.35Å; F974-L1002 HydrophobicContact CE2-CD1 4.17Å; F974-L1002 HydrophobicContact CE2-CG 4.01Å
975	E	92.9	Very high	93.9	Very high	120 Å²	120	50.1 Å²	50.1	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-58.3	-40.9	175.1	-65.7	177.1	-172.5	0	0	112.2	G971 E978 S979	G971-E975 PolarHBondContact O-N 2.74Å; G971-E975 VanDerWaalsContact O-N 3.07Å; E975-E978 PolarHBondContact O-N 3.37Å; E975-S979 PolarHBondContact O-N 3.18Å
976	L	93.2	Very high	93.8	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-36.7	175.2	-69.7	169.6	0	0	0	112.2	G935 E938 A939 L972 F974 S979 I1023	G935-L976 WeakPolarHBondContact O-CD2 3.27Å; E938-L976 HydrophobicContact CB-CD1 4Å; A939-L976 HydrophobicContact CB-CB 4.24Å; A939-L976 HydrophobicContact CB-CD2 4.07Å; L972-L976 HydrophobicContact CG-CD1 4.37Å; L972-L976 WeakPolarHBondContact O-CB 3.38Å; L972-L976 WeakPolarHBondContact O-CG 3.44Å; L972-L976 PolarHBondContact O-N 2.84Å; F974-L976 VanDerWaalsContact C-N 3.31Å; F974-L976 PolarHBondContact O-N 2.8Å; L976-S979 PolarHBondContact O-OG 3.19Å; L976-I1023 HydrophobicContact CD1-CD1 4.21Å; L976-I1023 HydrophobicContact CD1-CG2 4.35Å
977	M	95.7	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.4	-37.2	174.3	-67.9	-55.1	95.9	0	0	112.6	A939 A943 I946 I968 L973 F974 S979 L980 Q981 L991 L1002	A939-M977 WeakPolarHBondContact O-CE 3.43Å; A943-M977 HydrophobicContact CB-CE 4.09Å; A943-M977 HydrophobicContact CB-SD 4.09Å; I946-M977 HydrophobicContact CD1-CG 4.35Å; I946-M977 HydrophobicContact CD1-SD 3.93Å; I968-M977 HydrophobicContact CD1-CB 4.37Å; I968-M977 HydrophobicContact CD1-CG 3.58Å; L973-M977 HydrophobicContact CD1-CE 4.25Å; L973-M977 WeakPolarHBondContact O-CG 3.49Å; L973-M977 PolarHBondContact O-N 2.96Å; F974-M977 CarbonylContact O-C 3.55Å; F974-M977 PolarHBondContact O-N 3.13Å; M977-S979 VanDerWaalsContact C-N 3.26Å; M977-S979 PolarHBondContact O-N 3.07Å; M977-L980 HydrophobicContact CE-CD1 3.99Å; M977-L980 WeakPolarHBondContact O-CB 3.49Å; M977-L980 PolarHBondContact O-N 3.47Å; M977-L980 HydrophobicContact SD-CD1 4.4Å; M977-Q981 PolarHBondContact O-N 3.32Å; M977-Q981 VanDerWaalsContact O-N 3.07Å; M977-L991 HydrophobicContact CB-CD2 4.36Å; M977-L991 HydrophobicContact SD-CD1 3.64Å; M977-L1002 HydrophobicContact CB-CD1 3.97Å; M977-L1002 HydrophobicContact CB-CD2 3.8Å
978	E	94.4	Very high	93.2	Very high	78 Å²	78	55.4 Å²	55.4	36%	0.364	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-36.1	172.8	-74.7	-175.4	125.2	0	0	111.1	F974 E975 L980 Q981 E982 L1002	F974-E978 HydrophobicContact CD1-CG 4.05Å; F974-E978 WeakPolarHBondContact CD1-OE2 3.12Å; F974-E978 HydrophobicContact CE1-CG 3.79Å; F974-E978 VanDerWaalsContact CE1-OE1 3.25Å; F974-E978 WeakPolarHBondContact CE1-OE1 3.14Å; F974-E978 WeakPolarHBondContact CE1-OE2 3.41Å; F974-E978 HydrophobicContact CZ-CG 4.23Å; F974-E978 PolarHBondContact O-N 3.41Å; E975-E978 PolarHBondContact O-N 3.37Å; E978-L980 PolarHBondContact O-N 3.33Å; E978-L980 VanDerWaalsContact O-N 3.09Å; E978-Q981 WeakPolarHBondContact CA-O 3.41Å; E978-Q981 CarbonylContact O-C 3.42Å; E978-Q981 PolarHBondContact O-N 3.37Å; E978-E982 PolarHBondContact O-N 3.46Å; E978-L1002 HydrophobicContact CG-CD2 3.95Å
979	S	92.8	Very high	93.1	Very high	31 Å²	31	56 Å²	56	22%	0.217	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.5	174	85.9	0	0	0	0	114.6	E975 L976 M977 Q990	E975-S979 PolarHBondContact O-N 3.18Å; L976-S979 PolarHBondContact O-OG 3.19Å; M977-S979 VanDerWaalsContact C-N 3.26Å; M977-S979 PolarHBondContact O-N 3.07Å; S979-Q990 PolarHBondContact O-NE2 2.97Å
980	L	94.9	Very high	93.1	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-17.4	173.7	-58.6	174.7	0	0	0	112.6	Y815 A939 A943 M977 E978 Q990 L991 L994	Y815-L980 HydrophobicContact CG-CD2 4.11Å; A939-L980 HydrophobicContact CB-CD1 4.46Å; A943-L980 HydrophobicContact CB-CD1 3.87Å; M977-L980 HydrophobicContact CE-CD1 3.99Å; M977-L980 WeakPolarHBondContact O-CB 3.49Å; M977-L980 PolarHBondContact O-N 3.47Å; M977-L980 HydrophobicContact SD-CD1 4.4Å; E978-L980 PolarHBondContact O-N 3.33Å; E978-L980 VanDerWaalsContact O-N 3.09Å; L980-Q990 HydrophobicContact CB-CB 4.27Å; L980-Q990 HydrophobicContact CD2-CB 4.26Å; L980-Q990 WeakPolarHBondContact O-CB 3.09Å; L980-Q990 PolarHBondContact O-N 3.15Å; L980-Q990 VanDerWaalsContact O-N 3.11Å; L980-L991 HydrophobicContact CB-CB 3.93Å; L980-L991 HydrophobicContact CB-CD1 4.49Å; L980-L991 HydrophobicContact CD1-CD1 4.2Å; L980-L991 PolarHBondContact O-N 2.9Å; L980-L991 VanDerWaalsContact O-N 3.15Å; L980-L994 HydrophobicContact CD1-CD1 3.94Å; L980-L994 HydrophobicContact CD2-CD1 4.44Å
981	Q	96	Very high	93.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.028	26%	0.255	C	S	.	.			trans	-161.6	97.8	-179.5	176.2	173.1	-41.8	0	0	111	M977 E978 E983 S989 L991 V1000	M977-Q981 PolarHBondContact O-N 3.32Å; M977-Q981 VanDerWaalsContact O-N 3.07Å; E978-Q981 WeakPolarHBondContact CA-O 3.41Å; E978-Q981 CarbonylContact O-C 3.42Å; E978-Q981 PolarHBondContact O-N 3.37Å; Q981-E983 VanDerWaalsContact C-N 3.31Å; Q981-E983 WeakPolarHBondContact CG-O 3.32Å; Q981-E983 PolarHBondContact NE2-O 3.01Å; Q981-E983 PolarHBondContact O-N 2.99Å; Q981-S989 PolarHBondContact OE1-OG 3.44Å; Q981-L991 HydrophobicContact CB-CB 3.74Å; Q981-L991 HydrophobicContact CB-CD2 4.05Å; Q981-V1000 PolarHBondContact NE2-O 2.81Å
982	E	91.8	Very high	93.5	Very high	179 Å²	179	45.8 Å²	45.8	84%	0.836	24%	0.241	S	C	*	.			trans	-69.9	-28.1	175.9	-60.9	174.9	-176.4	0	0	112.5	E978	E978-E982 PolarHBondContact O-N 3.46Å
983	E	93.2	Very high	93.5	Very high	133 Å²	133	44.6 Å²	44.6	62%	0.621	24%	0.235	S	C	*	.	S	Bend	trans	-81.6	129.6	-178.1	-71.9	-71.6	-178.2	0	0	112.1	Q981 T985	Q981-E983 VanDerWaalsContact C-N 3.31Å; Q981-E983 WeakPolarHBondContact CG-O 3.32Å; Q981-E983 PolarHBondContact NE2-O 3.01Å; Q981-E983 PolarHBondContact O-N 2.99Å; E983-T985 PolarHBondContact O-N 3.07Å
984	P	92.8	Very high	93.6	Very high	83 Å²	83	44.6 Å²	44.6	54%	0.539	24%	0.235	S	C	.	.	S	Bend	trans	-57	-17.5	178.8	-26.9	34.8	0	0	0	115	N1001 L1002	P984-N1001 VanDerWaalsContact O-CA 3.32Å; P984-N1001 WeakPolarHBondContact O-CA 3.32Å; P984-L1002 PolarHBondContact O-N 3.09Å
985	T	94.8	Very high	93.7	Very high	71 Å²	71	43.3 Å²	43.3	44%	0.436	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	123.7	175.8	-67	0	0	0	0	109.9	E983 R999 V1000 N1001	E983-T985 PolarHBondContact O-N 3.07Å; T985-R999 HydrophobicContact CG2-CG 3.92Å; T985-V1000 WeakPolarHBondContact CA-O 3.41Å; T985-N1001 WeakPolarHBondContact CG2-OD1 3.36Å; T985-N1001 PolarHBondContact OG1-OD1 3.02Å
986	S	94.6	Very high	93.6	Very high	17 Å²	17	41.5 Å²	41.5	12%	0.119	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	161.1	178.2	-173.4	0	0	0	0	112.5	D988 S989 R999 V1000	S986-D988 PolarHBondContact OG-N 3.48Å; S986-D988 PolarHBondContact OG-OD1 3.39Å; S986-S989 WeakPolarHBondContact OG-CB 3.36Å; S986-S989 PolarHBondContact OG-N 3.01Å; S986-R999 WeakPolarHBondContact O-CA 3.45Å; S986-R999 WeakPolarHBondContact O-CG 3.43Å; S986-V1000 PolarHBondContact N-O 2.72Å; S986-V1000 PolarHBondContact O-N 2.7Å
987	S	91.4	Very high	93.6	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	22%	0.217	S	C	.	.	S	Bend	trans	-116.7	-7.5	168.8	71.2	0	0	0	0	113	R1053	S987-R1053 PolarHBondContact O-NH1 3.15Å; S987-R1053 PolarHBondContact O-NH2 3.48Å
988	D	89.1	Confident	93.5	Very high	77 Å²	77	40.6 Å²	40.6	41%	0.412	22%	0.217	S	C	.	.	S	Bend	trans	-145.5	9.9	-167.2	51.7	-16.8	0	0	0	114.2	S986 R1065	S986-D988 PolarHBondContact OG-N 3.48Å; S986-D988 PolarHBondContact OG-OD1 3.39Å; D988-R1065 VanDerWaalsContact OD2-CD 3.28Å; D988-R1065 WeakPolarHBondContact OD2-CD 3.39Å
989	S	93.7	Very high	93.5	Very high	18 Å²	18	41.6 Å²	41.6	13%	0.126	22%	0.217	C	C	.	.	S	Bend	trans	-60.3	164.6	161.5	67.1	0	0	0	0	112.4	Q981 S986 L991 A992 E993	Q981-S989 PolarHBondContact OE1-OG 3.44Å; S986-S989 WeakPolarHBondContact OG-CB 3.36Å; S986-S989 PolarHBondContact OG-N 3.01Å; S989-L991 VanDerWaalsContact C-N 3.26Å; S989-L991 PolarHBondContact O-N 2.96Å; S989-A992 PolarHBondContact O-N 3.18Å; S989-A992 VanDerWaalsContact OG-CB 3.27Å; S989-A992 WeakPolarHBondContact OG-CB 3.38Å; S989-A992 PolarHBondContact OG-N 3.07Å; S989-E993 WeakPolarHBondContact O-CB 3.36Å; S989-E993 PolarHBondContact O-N 3.02Å
990	Q	94.4	Very high	93.8	Very high	24 Å²	24	40.1 Å²	40.1	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-34.9	174.8	-55.5	175.2	81.3	0	0	111.2	Y814 S979 L980 E993 L994	Y814-Q990 HydrophobicContact CD2-CG 3.61Å; Y814-Q990 HydrophobicContact CE2-CG 3.96Å; Y814-Q990 HydrophobicContact CG-CG 4.2Å; S979-Q990 PolarHBondContact O-NE2 2.97Å; L980-Q990 HydrophobicContact CB-CB 4.27Å; L980-Q990 HydrophobicContact CD2-CB 4.26Å; L980-Q990 WeakPolarHBondContact O-CB 3.09Å; L980-Q990 PolarHBondContact O-N 3.15Å; L980-Q990 VanDerWaalsContact O-N 3.11Å; Q990-E993 PolarHBondContact O-N 2.96Å; Q990-L994 WeakPolarHBondContact O-CB 3.34Å; Q990-L994 WeakPolarHBondContact O-CG 3.31Å; Q990-L994 PolarHBondContact O-N 2.98Å
991	L	96.1	Very high	93.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-45.3	174.4	-168.5	59.7	0	0	0	111.4	A943 I966 M977 L980 Q981 S989 E993 L994 M995 V1000 L1002	A943-L991 HydrophobicContact CB-CD1 4.03Å; I966-L991 HydrophobicContact CD1-CD1 4.41Å; I966-L991 HydrophobicContact CD1-CD2 4.07Å; I966-L991 HydrophobicContact CD1-CG 4.28Å; M977-L991 HydrophobicContact CB-CD2 4.36Å; M977-L991 HydrophobicContact SD-CD1 3.64Å; L980-L991 HydrophobicContact CB-CB 3.93Å; L980-L991 HydrophobicContact CB-CD1 4.49Å; L980-L991 HydrophobicContact CD1-CD1 4.2Å; L980-L991 PolarHBondContact O-N 2.9Å; L980-L991 VanDerWaalsContact O-N 3.15Å; Q981-L991 HydrophobicContact CB-CB 3.74Å; Q981-L991 HydrophobicContact CB-CD2 4.05Å; S989-L991 VanDerWaalsContact C-N 3.26Å; S989-L991 PolarHBondContact O-N 2.96Å; L991-E993 VanDerWaalsContact C-N 3.3Å; L991-E993 PolarHBondContact O-N 3.34Å; L991-L994 PolarHBondContact O-N 3.17Å; L991-M995 HydrophobicContact CD1-CE 3.82Å; L991-M995 WeakPolarHBondContact O-CB 3.41Å; L991-M995 WeakPolarHBondContact O-CG 3.38Å; L991-M995 PolarHBondContact O-N 3.04Å; L991-V1000 HydrophobicContact CD2-CG1 4.03Å; L991-V1000 HydrophobicContact CG-CG1 4.18Å; L991-L1002 HydrophobicContact CD2-CD2 4.35Å
992	A	93.7	Very high	93.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-33.8	175.8	0	0	0	0	0	112.8	S989 M996 A997 V1000	S989-A992 PolarHBondContact O-N 3.18Å; S989-A992 VanDerWaalsContact OG-CB 3.27Å; S989-A992 WeakPolarHBondContact OG-CB 3.38Å; S989-A992 PolarHBondContact OG-N 3.07Å; A992-M996 PolarHBondContact O-N 2.96Å; A992-M996 VanDerWaalsContact O-N 3.13Å; A992-A997 PolarHBondContact O-N 3.28Å; A992-V1000 HydrophobicContact CB-CB 4.24Å; A992-V1000 HydrophobicContact CB-CG2 3.97Å
993	E	91.9	Very high	94	Very high	13 Å²	13	35.2 Å²	35.2	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-65.8	-52.4	173	-151.5	-173.9	175.1	0	0	111.2	V862 I863 R866 S989 Q990 L991 M995 M996	V862-E993 HydrophobicContact CG1-CB 4.16Å; V862-E993 HydrophobicContact CG1-CG 3.69Å; I863-E993 WeakPolarHBondContact CA-OE1 3.34Å; R866-E993 WeakPolarHBondContact CB-OE1 3.28Å; R866-E993 IonicContact CZ-OE1 2.73Å; R866-E993 IonicContact CZ-OE2 2.68Å; R866-E993 IonicContact NE-OE1 2.63Å; R866-E993 IonicContact NE-OE2 2.77Å; R866-E993 VanDerWaalsContact NH1-CD 3.26Å; R866-E993 IonicContact NH1-OE1 3.99Å; R866-E993 PolarHBondContact NH1-OE1 2.95Å; R866-E993 VanDerWaalsContact NH1-OE1 3.11Å; R866-E993 IonicContact NH1-OE2 3.9Å; R866-E993 PolarHBondContact NH1-OE2 2.87Å; S989-E993 WeakPolarHBondContact O-CB 3.36Å; S989-E993 PolarHBondContact O-N 3.02Å; Q990-E993 PolarHBondContact O-N 2.96Å; L991-E993 VanDerWaalsContact C-N 3.3Å; L991-E993 PolarHBondContact O-N 3.34Å; E993-M995 VanDerWaalsContact C-N 3.33Å; E993-M995 PolarHBondContact O-N 2.64Å; E993-M996 WeakPolarHBondContact O-CA 3.47Å; E993-M996 WeakPolarHBondContact O-CG 3.31Å; E993-M996 PolarHBondContact O-N 3.29Å
994	L	94.7	Very high	94	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-56.2	-44.2	177.5	-81.6	164	0	0	0	112.3	I816 F858 V940 A943 R947 L980 Q990 L991 M996	I816-L994 HydrophobicContact CD1-CD2 3.61Å; I816-L994 HydrophobicContact CD1-CG 4.15Å; I816-L994 HydrophobicContact CG1-CD2 4.16Å; F858-L994 HydrophobicContact CE2-CD2 3.72Å; F858-L994 HydrophobicContact CZ-CD2 3.75Å; V940-L994 HydrophobicContact CG1-CD2 4.19Å; A943-L994 HydrophobicContact CB-CD1 3.95Å; R947-L994 WeakPolarHBondContact CD-O 3.16Å; L980-L994 HydrophobicContact CD1-CD1 3.94Å; L980-L994 HydrophobicContact CD2-CD1 4.44Å; Q990-L994 WeakPolarHBondContact O-CB 3.34Å; Q990-L994 WeakPolarHBondContact O-CG 3.31Å; Q990-L994 PolarHBondContact O-N 2.98Å; L991-L994 PolarHBondContact O-N 3.17Å; L994-M996 PolarHBondContact O-N 2.83Å
995	M	94.6	Very high	93.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.2	-20.9	176.5	-64.7	-67.3	156.4	0	0	113	A943 I946 R947 F950 L964 I966 L991 E993 A997 V1000	A943-M995 HydrophobicContact CB-CE 4.31Å; A943-M995 WeakPolarHBondContact O-CE 3.22Å; I946-M995 HydrophobicContact CB-CE 3.94Å; I946-M995 HydrophobicContact CG2-CE 3.77Å; I946-M995 HydrophobicContact CG2-SD 4.41Å; R947-M995 VanDerWaalsContact CA-SD 3.53Å; R947-M995 HydrophobicContact CB-CE 4.15Å; R947-M995 HydrophobicContact CB-SD 3.58Å; R947-M995 VanDerWaalsContact CB-SD 3.58Å; R947-M995 HydrophobicContact CG-SD 4.12Å; F950-M995 HydrophobicContact CD1-SD 4.4Å; F950-M995 HydrophobicContact CE1-CB 4.47Å; F950-M995 WeakPolarHBondContact CE1-O 3.46Å; L964-M995 HydrophobicContact CD2-CB 4.2Å; L964-M995 HydrophobicContact CD2-CG 3.77Å; L964-M995 HydrophobicContact CD2-SD 3.51Å; L964-M995 VanDerWaalsContact CD2-SD 3.51Å; I966-M995 HydrophobicContact CD1-CE 3.86Å; I966-M995 HydrophobicContact CD1-SD 4.39Å; L991-M995 HydrophobicContact CD1-CE 3.82Å; L991-M995 WeakPolarHBondContact O-CB 3.41Å; L991-M995 WeakPolarHBondContact O-CG 3.38Å; L991-M995 PolarHBondContact O-N 3.04Å; E993-M995 VanDerWaalsContact C-N 3.33Å; E993-M995 PolarHBondContact O-N 2.64Å; M995-A997 HydrophobicContact CB-CB 4.09Å; M995-A997 PolarHBondContact O-N 3.44Å; M995-A997 VanDerWaalsContact O-N 3.17Å; M995-V1000 HydrophobicContact CB-CG2 3.98Å; M995-V1000 HydrophobicContact CG-CG2 3.98Å
996	M	91.9	Very high	93.7	Very high	81 Å²	81	32.7 Å²	32.7	40%	0.399	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	25.6	-172.1	-52.2	-175.4	73.4	0	0	113.7	S861 A959 S960 A992 E993 L994	S861-M996 VanDerWaalsContact O-CE 3.3Å; S861-M996 WeakPolarHBondContact O-CE 3.43Å; A959-M996 CarbonylContact C-O 3.54Å; A959-M996 HydrophobicContact CB-CB 4.41Å; S960-M996 WeakPolarHBondContact CA-O 3.34Å; S960-M996 WeakPolarHBondContact CB-O 3.15Å; S960-M996 PolarHBondContact N-O 2.84Å; A992-M996 PolarHBondContact O-N 2.96Å; A992-M996 VanDerWaalsContact O-N 3.13Å; E993-M996 WeakPolarHBondContact O-CA 3.47Å; E993-M996 WeakPolarHBondContact O-CG 3.31Å; E993-M996 PolarHBondContact O-N 3.29Å; L994-M996 PolarHBondContact O-N 2.83Å
997	A	93.8	Very high	93.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.			trans	-78	175.1	-174.5	0	0	0	0	0	112.8	F950 L964 A992 M995 V1000 R1053	F950-A997 HydrophobicContact CE1-CB 4.17Å; F950-A997 HydrophobicContact CZ-CB 4.34Å; L964-A997 HydrophobicContact CB-CB 4.49Å; A992-A997 PolarHBondContact O-N 3.28Å; M995-A997 HydrophobicContact CB-CB 4.09Å; M995-A997 PolarHBondContact O-N 3.44Å; M995-A997 VanDerWaalsContact O-N 3.17Å; A997-V1000 HydrophobicContact CB-CG2 3.95Å; A997-R1053 PolarHBondContact O-NH2 3.31Å
998	A	93.6	Very high	92.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	22%	0.215	C	C	.	.	S	Bend	trans	-72.5	-49.4	164.6	0	0	0	0	0	110.4	Y962 D963 T1043 Y1054	Y962-A998 WeakPolarHBondContact O-CB 3.4Å; Y962-A998 PolarHBondContact O-N 3.12Å; D963-A998 WeakPolarHBondContact OD1-CB 3.48Å; A998-T1043 HydrophobicContact CB-CG2 3.74Å; A998-Y1054 WeakPolarHBondContact CB-O 3.41Å
999	R	94.6	Very high	92.4	Very high	98 Å²	98	48.6 Å²	48.6	37%	0.37	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	149.2	179.1	-162.9	-175.5	-53.8	-138	-3.1	109.9	D963 L964 T985 S986	D963-R999 HydrophobicContact CB-CB 4.27Å; D963-R999 WeakPolarHBondContact OD1-CB 3.4Å; D963-R999 PolarHBondContact OD1-N 2.91Å; D963-R999 IonicContact OD1-NE 3.76Å; L964-R999 PolarHBondContact N-O 3.08Å; T985-R999 HydrophobicContact CG2-CG 3.92Å; S986-R999 WeakPolarHBondContact O-CA 3.45Å; S986-R999 WeakPolarHBondContact O-CG 3.43Å
1000	V	97.2	Very high	91.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.3	170.4	178.7	0	0	0	0	110	L964 I966 Q981 T985 S986 L991 A992 M995 A997	L964-V1000 HydrophobicContact CB-CG2 4.43Å; L964-V1000 HydrophobicContact CD2-CG2 4.41Å; L964-V1000 CarbonylContact O-C 3.55Å; L964-V1000 WeakPolarHBondContact O-CA 3.5Å; I966-V1000 HydrophobicContact CD1-CG1 3.65Å; I966-V1000 HydrophobicContact CG1-CG1 4.19Å; Q981-V1000 PolarHBondContact NE2-O 2.81Å; T985-V1000 WeakPolarHBondContact CA-O 3.41Å; S986-V1000 PolarHBondContact N-O 2.72Å; S986-V1000 PolarHBondContact O-N 2.7Å; L991-V1000 HydrophobicContact CD2-CG1 4.03Å; L991-V1000 HydrophobicContact CG-CG1 4.18Å; A992-V1000 HydrophobicContact CB-CB 4.24Å; A992-V1000 HydrophobicContact CB-CG2 3.97Å; M995-V1000 HydrophobicContact CB-CG2 3.98Å; M995-V1000 HydrophobicContact CG-CG2 3.98Å; A997-V1000 HydrophobicContact CB-CG2 3.95Å
1001	N	96.3	Very high	91.3	Very high	35 Å²	35	54 Å²	54	19%	0.187	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.4	169.1	-43.2	-38.9	0	0	0	107.8	L964 T965 I966 P984 T985	L964-N1001 PolarHBondContact O-N 3.47Å; T965-N1001 WeakPolarHBondContact CA-O 3.43Å; T965-N1001 HydrophobicContact CG2-CB 4.2Å; T965-N1001 PolarHBondContact OG1-ND2 3.42Å; I966-N1001 PolarHBondContact N-O 3.17Å; P984-N1001 VanDerWaalsContact O-CA 3.32Å; P984-N1001 WeakPolarHBondContact O-CA 3.32Å; T985-N1001 WeakPolarHBondContact CG2-OD1 3.36Å; T985-N1001 PolarHBondContact OG1-OD1 3.02Å
1002	L	96.8	Very high	90.4	Very high	9 Å²	9	59.8 Å²	59.8	5%	0.047	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.4	174.7	179.5	61.4	0	0	0	108.2	I966 I968 F974 M977 E978 P984 L991	I966-L1002 HydrophobicContact CB-CD1 4.28Å; I966-L1002 HydrophobicContact CG2-CD1 4.21Å; I968-L1002 HydrophobicContact CD1-CD1 4.3Å; F974-L1002 HydrophobicContact CD2-CD1 4.35Å; F974-L1002 HydrophobicContact CE2-CD1 4.17Å; F974-L1002 HydrophobicContact CE2-CG 4.01Å; M977-L1002 HydrophobicContact CB-CD1 3.97Å; M977-L1002 HydrophobicContact CB-CD2 3.8Å; E978-L1002 HydrophobicContact CG-CD2 3.95Å; P984-L1002 PolarHBondContact O-N 3.09Å; L991-L1002 HydrophobicContact CD2-CD2 4.35Å
1003	T	95.1	Very high	89.9	Confident	41 Å²	41	65.1 Å²	65.1	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.7	-175.4	66	0	0	0	0	112	I966 A967 I968 K1005	I966-T1003 PolarHBondContact O-N 3.04Å; A967-T1003 VanDerWaalsContact CA-O 3.3Å; A967-T1003 WeakPolarHBondContact CA-O 3.2Å; I968-T1003 PolarHBondContact N-O 3.44Å; I968-T1003 VanDerWaalsContact N-O 3.14Å; T1003-K1005 VanDerWaalsContact C-N 3.33Å; T1003-K1005 WeakPolarHBondContact CB-O 3.35Å; T1003-K1005 PolarHBondContact OG1-O 2.78Å
1004	S	93	Very high	89.7	Confident	57 Å²	57	65.3 Å²	65.3	40%	0.399	33%	0.33	S	S	.	.	S	Bend	trans	-74.7	-23.3	177.1	54.9	0	0	0	0	113.5	I968	I968-S1004 CarbonylContact C-O 3.53Å; I968-S1004 CarbonylContact O-C 3.52Å; I968-S1004 VanDerWaalsContact O-CA 3.29Å; I968-S1004 WeakPolarHBondContact O-CA 3.48Å
1005	K	91.4	Very high	89.6	Confident	133 Å²	133	68.5 Å²	68.5	58%	0.578	35%	0.347	S	S	*	.	S	Bend	trans	-149.6	157.4	175.7	-60	-167.1	-173	-123.1	0	110.3	E969 T1003	E969-K1005 WeakPolarHBondContact OE1-CE 3.25Å; E969-K1005 IonicContact OE1-NZ 2.75Å; E969-K1005 PolarHBondContact OE1-NZ 3.07Å; T1003-K1005 VanDerWaalsContact C-N 3.33Å; T1003-K1005 WeakPolarHBondContact CB-O 3.35Å; T1003-K1005 PolarHBondContact OG1-O 2.78Å
1006	L	90.4	Very high	89.5	Confident	44 Å²	44	72.6 Å²	72.6	23%	0.23	37%	0.368	C	S	.	.			trans	-62.6	147.4	174.1	-74.7	177.9	0	0	0	111.3	T965 A967 L1010 L1016 A1039	T965-L1006 HydrophobicContact CG2-CD2 4.39Å; A967-L1006 HydrophobicContact CB-CB 4.41Å; A967-L1006 HydrophobicContact CB-CD2 3.71Å; A967-L1006 HydrophobicContact CB-CG 3.74Å; L1006-L1010 HydrophobicContact CB-CD1 4.32Å; L1006-L1010 HydrophobicContact CD1-CD1 4.36Å; L1006-L1016 HydrophobicContact CD1-CD2 3.94Å; L1006-A1039 HydrophobicContact CD2-CB 3.84Å
1007	P	86.3	Confident	89.6	Confident	61 Å²	61	70 Å²	70	40%	0.396	36%	0.358	S	S	.	.			trans	-56.6	146	169.9	-22.5	32.9	0	0	0	111.7	T965 L1010	T965-P1007 HydrophobicContact CG2-CG 4.49Å; P1007-L1010 HydrophobicContact CB-CD2 4.33Å; P1007-L1010 HydrophobicContact CB-CG 4.23Å; P1007-L1010 HydrophobicContact CG-CD2 4.2Å
1008	R	80	Confident	89.7	Confident	245 Å²	245	76 Å²	76	93%	0.925	39%	0.386	S	S	*	.	S	Bend	trans	-73.4	-38.3	175.8	-65.6	-177.5	-179.7	179.1	0.6	111.8	L1010	R1008-L1010 PolarHBondContact O-N 2.71Å
1009	D	81.2	Confident	89.7	Confident	159 Å²	159	77 Å²	77	85%	0.85	40%	0.396	S	S	*	.	S	Bend	trans	-99.4	54.7	-174.7	-48.3	-61.6	0	0	0	110.6
1010	L	82.8	Confident	89.7	Confident	56 Å²	56	76.6 Å²	76.6	29%	0.293	41%	0.405	S	S	.	.			trans	-67.3	145.4	173.8	-80.5	168	0	0	0	111.1	L1006 P1007 R1008 A1014 L1016 A1039	L1006-L1010 HydrophobicContact CB-CD1 4.32Å; L1006-L1010 HydrophobicContact CD1-CD1 4.36Å; P1007-L1010 HydrophobicContact CB-CD2 4.33Å; P1007-L1010 HydrophobicContact CB-CG 4.23Å; P1007-L1010 HydrophobicContact CG-CD2 4.2Å; R1008-L1010 PolarHBondContact O-N 2.71Å; L1010-A1014 HydrophobicContact CD2-CB 4.48Å; L1010-L1016 HydrophobicContact CD1-CD2 4.08Å; L1010-A1039 HydrophobicContact CD1-CB 4.2Å; L1010-A1039 HydrophobicContact CD2-CB 3.83Å
1011	H	81.3	Confident	89.5	Confident	99 Å²	99	77.9 Å²	77.9	46%	0.458	41%	0.41	S	S	.	.			trans	-64	142	176.5	-163.5	-99.7	0	0	0	110.8	D1013 A1014 M1041	H1011-D1013 IonicContact CE1-OD2 2.73Å; H1011-D1013 PolarHBondContact CE1-OD2 2.92Å; H1011-D1013 IonicContact ND1-OD2 3.61Å; H1011-D1013 PolarHBondContact ND1-OD2 2.78Å; H1011-D1013 PolarHBondContact O-N 2.96Å; H1011-D1013 VanDerWaalsContact O-N 3.1Å; H1011-A1014 WeakPolarHBondContact O-CB 3.44Å; H1011-A1014 PolarHBondContact O-N 2.9Å; H1011-M1041 HydrophobicContact CB-CE 3.69Å; H1011-M1041 HydrophobicContact CB-SD 3.83Å
1012	P	79	Confident	89.3	Confident	123 Å²	123	79.2 Å²	79.2	80%	0.799	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.5	-177.8	-28.9	36.6	0	0	0	115.1	A1014	P1012-A1014 VanDerWaalsContact C-N 3.33Å
1013	D	81.9	Confident	88.9	Confident	112 Å²	112	78.8 Å²	78.8	60%	0.599	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	5.6	178.9	-53.7	-53	0	0	0	114.2	H1011 L1015	H1011-D1013 IonicContact CE1-OD2 2.73Å; H1011-D1013 PolarHBondContact CE1-OD2 2.92Å; H1011-D1013 IonicContact ND1-OD2 3.61Å; H1011-D1013 PolarHBondContact ND1-OD2 2.78Å; H1011-D1013 PolarHBondContact O-N 2.96Å; H1011-D1013 VanDerWaalsContact O-N 3.1Å; D1013-L1015 PolarHBondContact O-N 3.02Å
1014	A	87.8	Confident	88.4	Confident	17 Å²	17	80.3 Å²	80.3	14%	0.14	42%	0.422	C	S	.	.			trans	-68.7	121.1	-178.1	0	0	0	0	0	111.4	L1010 H1011 P1012 L1016 M1041	L1010-A1014 HydrophobicContact CD2-CB 4.48Å; H1011-A1014 WeakPolarHBondContact O-CB 3.44Å; H1011-A1014 PolarHBondContact O-N 2.9Å; P1012-A1014 VanDerWaalsContact C-N 3.33Å; A1014-L1016 PolarHBondContact O-N 3.08Å; A1014-M1041 VanDerWaalsContact CA-SD 3.56Å; A1014-M1041 HydrophobicContact CB-CG 4.1Å; A1014-M1041 HydrophobicContact CB-SD 3.86Å
1015	L	92.1	Very high	87.9	Confident	68 Å²	68	78.5 Å²	78.5	36%	0.356	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	122.5	178.3	-53.1	177.3	0	0	0	109.2	L953 D1013 A1039 V1040	L953-L1015 HydrophobicContact CB-CB 4.29Å; L953-L1015 HydrophobicContact CB-CD1 4.46Å; L953-L1015 HydrophobicContact CD1-CB 4.25Å; L953-L1015 HydrophobicContact CD2-CB 4.42Å; L953-L1015 WeakPolarHBondContact O-CD1 3.42Å; D1013-L1015 PolarHBondContact O-N 3.02Å; L1015-A1039 WeakPolarHBondContact O-CA 3.5Å; L1015-V1040 HydrophobicContact CB-CB 4.27Å; L1015-V1040 PolarHBondContact N-O 3.49Å; L1015-V1040 PolarHBondContact O-N 2.82Å
1016	L	93.8	Very high	87.1	Confident	85 Å²	85	78.6 Å²	78.6	45%	0.445	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.8	-175.6	-68.8	174.1	0	0	0	112	L1006 L1010 A1014 I1038 A1039	L1006-L1016 HydrophobicContact CD1-CD2 3.94Å; L1010-L1016 HydrophobicContact CD1-CD2 4.08Å; A1014-L1016 PolarHBondContact O-N 3.08Å; L1016-I1038 WeakPolarHBondContact CA-O 3.2Å; L1016-A1039 HydrophobicContact CD2-CB 3.63Å
1017	S	94.4	Very high	85.9	Confident	27 Å²	27	80.2 Å²	80.2	19%	0.189	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	157	164	-170.9	0	0	0	0	110.6	S1037 I1038	S1017-S1037 WeakPolarHBondContact O-CA 3.48Å; S1017-I1038 PolarHBondContact N-O 3.43Å; S1017-I1038 VanDerWaalsContact N-O 3.1Å; S1017-I1038 PolarHBondContact O-N 2.83Å
1018	H	94.7	Very high	85.2	Confident	126 Å²	126	79.1 Å²	79.1	58%	0.583	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.3	177.4	-58.8	75.5	0	0	0	108	Y1036 S1037	H1018-Y1036 WeakPolarHBondContact CA-O 3.28Å; H1018-S1037 PolarHBondContact CD2-OG 3.23Å
1019	G	94.3	Very high	85.1	Confident	22 Å²	22	72.8 Å²	72.8	23%	0.227	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	176.9	179	0	0	0	0	0	111.8	P1035 Y1036	G1019-P1035 WeakPolarHBondContact O-CA 3.47Å; G1019-Y1036 PolarHBondContact N-O 3.36Å; G1019-Y1036 PolarHBondContact O-N 3.03Å
1020	T	93.8	Very high	85	Confident	90 Å²	90	68.6 Å²	68.6	55%	0.552	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	151	168.2	53.1	0	0	0	0	108.7	S1034 P1035	T1020-S1034 WeakPolarHBondContact CA-O 3.44Å; T1020-P1035 HydrophobicContact CG2-CB 4.31Å
1021	F	93.9	Very high	85.2	Confident	26 Å²	26	74.2 Å²	74.2	11%	0.114	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134	167.8	-179.7	-102.7	0	0	0	109.1	E941 A945 L973 I1023 S1034 Y1036	E941-F1021 HydrophobicContact CB-CE2 4.16Å; E941-F1021 HydrophobicContact CB-CZ 4.02Å; A945-F1021 HydrophobicContact CB-CD2 3.78Å; A945-F1021 HydrophobicContact CB-CE2 4.35Å; L973-F1021 HydrophobicContact CD1-CD1 3.92Å; L973-F1021 HydrophobicContact CD2-CB 4.17Å; F1021-I1023 HydrophobicContact CD1-CG1 3.97Å; F1021-I1023 HydrophobicContact CE1-CG1 4.23Å; F1021-S1034 PolarHBondContact N-O 2.94Å; F1021-S1034 PolarHBondContact O-N 2.94Å; F1021-Y1036 HydrophobicContact CB-CE1 4.4Å
1022	L	91.4	Very high	85.5	Confident	63 Å²	63	73 Å²	73	33%	0.33	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	102.5	179.9	178.6	68.3	0	0	0	109.5	R1031 E1032	L1022-R1031 HydrophobicContact CD1-CG 3.7Å; L1022-E1032 CarbonylContact C-O 3.59Å; L1022-E1032 WeakPolarHBondContact CA-O 3.33Å
1023	I	88.6	Confident	86	Confident	0 Å²	0	72 Å²	72	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.5	171.2	-46.5	179.6	0	0	0	108.8	E938 L972 L973 L976 F1021 L1025 R1031 E1032 S1034	E938-I1023 HydrophobicContact CB-CG2 4.18Å; E938-I1023 HydrophobicContact CG-CG2 4.05Å; L972-I1023 HydrophobicContact CB-CD1 3.71Å; L972-I1023 HydrophobicContact CD2-CB 4.44Å; L972-I1023 HydrophobicContact CD2-CD1 3.87Å; L972-I1023 HydrophobicContact CD2-CG2 3.76Å; L972-I1023 HydrophobicContact CG-CD1 3.66Å; L972-I1023 HydrophobicContact CG-CG2 4.31Å; L973-I1023 HydrophobicContact CB-CD1 3.98Å; L976-I1023 HydrophobicContact CD1-CD1 4.21Å; L976-I1023 HydrophobicContact CD1-CG2 4.35Å; F1021-I1023 HydrophobicContact CD1-CG1 3.97Å; F1021-I1023 HydrophobicContact CE1-CG1 4.23Å; I1023-L1025 HydrophobicContact CG2-CG 4.07Å; I1023-R1031 VanDerWaalsContact O-CA 3.32Å; I1023-R1031 WeakPolarHBondContact O-CA 3.14Å; I1023-E1032 HydrophobicContact CB-CB 4.43Å; I1023-E1032 PolarHBondContact N-O 3.41Å; I1023-E1032 PolarHBondContact O-N 2.88Å; I1023-E1032 VanDerWaalsContact O-N 3.1Å; I1023-S1034 VanDerWaalsContact CD1-OG 3.25Å; I1023-S1034 WeakPolarHBondContact CD1-OG 3.14Å
1024	N	84.9	Confident	86.5	Confident	73 Å²	73	66.8 Å²	66.8	39%	0.39	38%	0.375	S	S	.	.			trans	-145.6	49.9	-169.8	-172.4	50.1	0	0	0	113.1	G1028 I1030	N1024-G1028 WeakPolarHBondContact OD1-CA 3.34Å; N1024-I1030 CarbonylContact C-O 3.57Å; N1024-I1030 WeakPolarHBondContact CA-O 3.43Å
1025	L	82.4	Confident	86.9	Confident	20 Å²	20	69.4 Å²	69.4	11%	0.105	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-63.4	159.7	-175.3	-59.7	165	0	0	0	113	G935 E938 L972 I1023 G1027 G1028 V1029 I1030	G935-L1025 VanDerWaalsContact CA-CD2 3.5Å; E938-L1025 VanDerWaalsContact CD-CD2 3.48Å; E938-L1025 HydrophobicContact CG-CD2 3.98Å; E938-L1025 HydrophobicContact CG-CG 4.49Å; E938-L1025 WeakPolarHBondContact OE1-CA 3.33Å; E938-L1025 WeakPolarHBondContact OE1-CD2 3.46Å; L972-L1025 HydrophobicContact CD1-CD1 4.35Å; L972-L1025 HydrophobicContact CD2-CD1 3.73Å; I1023-L1025 HydrophobicContact CG2-CG 4.07Å; L1025-G1027 PolarHBondContact O-N 3.01Å; L1025-G1028 PolarHBondContact O-N 3.24Å; L1025-V1029 PolarHBondContact O-N 3.04Å; L1025-I1030 HydrophobicContact CB-CB 4.17Å; L1025-I1030 HydrophobicContact CB-CD1 4.4Å; L1025-I1030 HydrophobicContact CD1-CB 4.48Å; L1025-I1030 HydrophobicContact CD1-CD1 4.02Å; L1025-I1030 HydrophobicContact CD1-CG2 4.42Å; L1025-I1030 PolarHBondContact N-O 3.47Å; L1025-I1030 VanDerWaalsContact N-O 3.07Å
1026	E	73.4	Confident	87.1	Confident	134 Å²	134	66.7 Å²	66.7	63%	0.626	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	57.3	18.9	171.1	-56.1	-167	146.2	0	0	114.8	V1029	E1026-V1029 HydrophobicContact CB-CB 4.03Å; E1026-V1029 HydrophobicContact CB-CG2 4.05Å
1027	G	66.6	Low	87.2	Confident	78 Å²	78	64 Å²	64	80%	0.804	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	82.8	26	-177.2	0	0	0	0	0	114	L1025	L1025-G1027 PolarHBondContact O-N 3.01Å
1028	G	71.6	Confident	87.3	Confident	39 Å²	39	62.8 Å²	62.8	40%	0.402	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	16	176.7	0	0	0	0	0	115.1	N1024 L1025	N1024-G1028 WeakPolarHBondContact OD1-CA 3.34Å; L1025-G1028 PolarHBondContact O-N 3.24Å
1029	V	76.4	Confident	87.4	Confident	112 Å²	112	56.9 Å²	56.9	68%	0.679	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-40.5	172.2	-176.9	0	0	0	0	110.5	L1025 E1026	L1025-V1029 PolarHBondContact O-N 3.04Å; E1026-V1029 HydrophobicContact CB-CB 4.03Å; E1026-V1029 HydrophobicContact CB-CG2 4.05Å
1030	I	80.3	Confident	87.4	Confident	71 Å²	71	55.8 Å²	55.8	36%	0.364	32%	0.317	S	S	.	.	S	Bend	trans	-110.7	121.3	171.7	-56.5	166.8	0	0	0	107.1	L972 N1024 L1025	L972-I1030 HydrophobicContact CD2-CG2 4.13Å; N1024-I1030 CarbonylContact C-O 3.57Å; N1024-I1030 WeakPolarHBondContact CA-O 3.43Å; L1025-I1030 HydrophobicContact CB-CB 4.17Å; L1025-I1030 HydrophobicContact CB-CD1 4.4Å; L1025-I1030 HydrophobicContact CD1-CB 4.48Å; L1025-I1030 HydrophobicContact CD1-CD1 4.02Å; L1025-I1030 HydrophobicContact CD1-CG2 4.42Å; L1025-I1030 PolarHBondContact N-O 3.47Å; L1025-I1030 VanDerWaalsContact N-O 3.07Å
1031	R	86.6	Confident	87.3	Confident	173 Å²	173	54 Å²	54	65%	0.653	30%	0.303	S	S	*	.			trans	-138.2	115.6	-179.5	-175.1	175.6	170.8	159	3.5	110.1	L1022 I1023	L1022-R1031 HydrophobicContact CD1-CG 3.7Å; I1023-R1031 VanDerWaalsContact O-CA 3.32Å; I1023-R1031 WeakPolarHBondContact O-CA 3.14Å
1032	E	87.3	Confident	87.3	Confident	74 Å²	74	56.6 Å²	56.6	35%	0.346	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	-172.7	-170.1	-169.7	127.1	0	0	110.4	L1022 I1023 S1034	L1022-E1032 CarbonylContact C-O 3.59Å; L1022-E1032 WeakPolarHBondContact CA-O 3.33Å; I1023-E1032 HydrophobicContact CB-CB 4.43Å; I1023-E1032 PolarHBondContact N-O 3.41Å; I1023-E1032 PolarHBondContact O-N 2.88Å; I1023-E1032 VanDerWaalsContact O-N 3.1Å; E1032-S1034 PolarHBondContact O-N 2.83Å; E1032-S1034 PolarHBondContact OE1-OG 3.06Å
1033	D	90.5	Very high	87.3	Confident	101 Å²	101	54.6 Å²	54.6	54%	0.54	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	88.4	169.6	-80	-73.9	0	0	0	109.3
1034	S	92.6	Very high	87.3	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123	-177.3	-43.6	0	0	0	0	110.9	T1020 F1021 I1023 E1032	T1020-S1034 WeakPolarHBondContact CA-O 3.44Å; F1021-S1034 PolarHBondContact N-O 2.94Å; F1021-S1034 PolarHBondContact O-N 2.94Å; I1023-S1034 VanDerWaalsContact CD1-OG 3.25Å; I1023-S1034 WeakPolarHBondContact CD1-OG 3.14Å; E1032-S1034 PolarHBondContact O-N 2.83Å; E1032-S1034 PolarHBondContact OE1-OG 3.06Å
1035	P	94.8	Very high	87.7	Confident	72 Å²	72	57.5 Å²	57.5	47%	0.468	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	146.7	178	32.3	-34.6	0	0	0	112.4	G1019 T1020	G1019-P1035 WeakPolarHBondContact O-CA 3.47Å; T1020-P1035 HydrophobicContact CG2-CB 4.31Å
1036	Y	96.4	Very high	88.2	Confident	11 Å²	11	57.7 Å²	57.7	4%	0.043	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.2	172.9	68.6	-98.2	0	0	0	111.8	A945 I946 S949 L973 H1018 G1019 F1021 I1038	A945-Y1036 PolarHBondContact O-OH 3.05Å; I946-Y1036 HydrophobicContact CB-CE2 4.35Å; I946-Y1036 HydrophobicContact CD1-CG 4.47Å; I946-Y1036 HydrophobicContact CG1-CD1 3.92Å; I946-Y1036 HydrophobicContact CG1-CD2 3.87Å; I946-Y1036 HydrophobicContact CG1-CE1 3.92Å; I946-Y1036 HydrophobicContact CG1-CE2 3.89Å; I946-Y1036 HydrophobicContact CG1-CG 3.89Å; S949-Y1036 PolarHBondContact OG-OH 3.07Å; L973-Y1036 HydrophobicContact CD2-CD1 4.38Å; H1018-Y1036 WeakPolarHBondContact CA-O 3.28Å; G1019-Y1036 PolarHBondContact N-O 3.36Å; G1019-Y1036 PolarHBondContact O-N 3.03Å; F1021-Y1036 HydrophobicContact CB-CE1 4.4Å; Y1036-I1038 HydrophobicContact CD2-CG2 4.32Å
1037	S	96.6	Very high	89.2	Confident	30 Å²	30	57 Å²	57	21%	0.21	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.2	171.8	-46	0	0	0	0	109.2	A967 S1017 H1018	A967-S1037 PolarHBondContact N-O 3.49Å; A967-S1037 PolarHBondContact O-N 2.93Å; S1017-S1037 WeakPolarHBondContact O-CA 3.48Å; H1018-S1037 PolarHBondContact CD2-OG 3.23Å
1038	I	96.8	Very high	90.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	173	56.3	170.3	0	0	0	111.4	I946 F950 L953 L964 T965 I966 L1016 S1017 Y1036 V1040	I946-I1038 HydrophobicContact CG2-CG2 3.81Å; F950-I1038 HydrophobicContact CB-CD1 3.91Å; L953-I1038 HydrophobicContact CD1-CD1 3.83Å; L953-I1038 HydrophobicContact CD1-CG1 4.17Å; L964-I1038 HydrophobicContact CD1-CB 4.01Å; L964-I1038 HydrophobicContact CD1-CG2 4.13Å; T965-I1038 VanDerWaalsContact O-CA 3.29Å; T965-I1038 WeakPolarHBondContact O-CA 3.47Å; I966-I1038 HydrophobicContact CG1-CG2 4.32Å; L1016-I1038 WeakPolarHBondContact CA-O 3.2Å; S1017-I1038 PolarHBondContact N-O 3.43Å; S1017-I1038 VanDerWaalsContact N-O 3.1Å; S1017-I1038 PolarHBondContact O-N 2.83Å; Y1036-I1038 HydrophobicContact CD2-CG2 4.32Å; I1038-V1040 HydrophobicContact CD1-CG2 4.47Å
1039	A	95.6	Very high	91.4	Very high	2 Å²	2	51.8 Å²	51.8	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.8	168.9	0	0	0	0	0	109.8	T965 L1006 L1010 L1015 L1016	T965-A1039 PolarHBondContact N-O 2.89Å; T965-A1039 PolarHBondContact O-N 3.1Å; L1006-A1039 HydrophobicContact CD2-CB 3.84Å; L1010-A1039 HydrophobicContact CD1-CB 4.2Å; L1010-A1039 HydrophobicContact CD2-CB 3.83Å; L1015-A1039 WeakPolarHBondContact O-CA 3.5Å; L1016-A1039 HydrophobicContact CD2-CB 3.63Å
1040	V	94.8	Very high	92.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	-171.7	-171.8	0	0	0	0	110.1	F950 L953 I954 Y962 L964 L1015 I1038	F950-V1040 HydrophobicContact CD2-CB 4.45Å; F950-V1040 HydrophobicContact CD2-CG1 3.78Å; F950-V1040 HydrophobicContact CD2-CG2 3.74Å; F950-V1040 HydrophobicContact CE2-CG1 3.57Å; F950-V1040 HydrophobicContact CE2-CG2 4.37Å; L953-V1040 HydrophobicContact CD1-CB 4.5Å; L953-V1040 HydrophobicContact CD1-CG2 3.62Å; I954-V1040 HydrophobicContact CG2-CG1 3.68Å; Y962-V1040 HydrophobicContact CD1-CG1 3.86Å; Y962-V1040 HydrophobicContact CG-CG1 4.14Å; L964-V1040 HydrophobicContact CD1-CG2 3.83Å; L1015-V1040 HydrophobicContact CB-CB 4.27Å; L1015-V1040 PolarHBondContact N-O 3.49Å; L1015-V1040 PolarHBondContact O-N 2.82Å; I1038-V1040 HydrophobicContact CD1-CG2 4.47Å
1041	M	92.9	Very high	92.6	Very high	51 Å²	51	44.3 Å²	44.3	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.5	179.5	-82.5	-64.7	-66.5	0	0	111.1	Y962 D963 H1011 A1014 T1043	Y962-M1041 CarbonylContact C-O 3.59Å; Y962-M1041 WeakPolarHBondContact CA-O 3.37Å; Y962-M1041 WeakPolarHBondContact CB-O 3.48Å; D963-M1041 PolarHBondContact N-O 2.94Å; D963-M1041 PolarHBondContact O-N 3.18Å; H1011-M1041 HydrophobicContact CB-CE 3.69Å; H1011-M1041 HydrophobicContact CB-SD 3.83Å; A1014-M1041 VanDerWaalsContact CA-SD 3.56Å; A1014-M1041 HydrophobicContact CB-CG 4.1Å; A1014-M1041 HydrophobicContact CB-SD 3.86Å; M1041-T1043 PolarHBondContact O-N 2.94Å
1042	P	92.1	Very high	92.8	Very high	82 Å²	82	42.8 Å²	42.8	53%	0.532	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	130.4	164.9	-20.5	32.6	0	0	0	109.9	Y962	Y962-P1042 HydrophobicContact CD1-CG 4.41Å; Y962-P1042 HydrophobicContact CE1-CB 4.48Å; Y962-P1042 HydrophobicContact CE1-CG 4.1Å
1043	T	91.4	Very high	93	Very high	21 Å²	21	40.5 Å²	40.5	13%	0.129	22%	0.221	C	C	.	.			trans	-71.2	142.7	-179	-166.7	0	0	0	0	111.3	K961 D963 A998 M1041 A1045 Y1054	K961-T1043 WeakPolarHBondContact O-CG2 3.37Å; K961-T1043 PolarHBondContact O-N 2.85Å; D963-T1043 VanDerWaalsContact OD1-CB 3.28Å; D963-T1043 WeakPolarHBondContact OD1-CB 3.49Å; D963-T1043 PolarHBondContact OD1-OG1 2.95Å; D963-T1043 WeakPolarHBondContact OD2-CA 3.39Å; D963-T1043 WeakPolarHBondContact OD2-CB 3.35Å; D963-T1043 PolarHBondContact OD2-OG1 2.94Å; A998-T1043 HydrophobicContact CB-CG2 3.74Å; M1041-T1043 PolarHBondContact O-N 2.94Å; T1043-A1045 VanDerWaalsContact C-N 3.33Å; T1043-A1045 HydrophobicContact CG2-CB 4.43Å; T1043-A1045 PolarHBondContact OG1-N 2.86Å; T1043-Y1054 HydrophobicContact CG2-CD1 4.33Å; T1043-Y1054 HydrophobicContact CG2-CG 4.22Å
1044	S	90.3	Very high	93.1	Very high	119 Å²	119	38.4 Å²	38.4	83%	0.832	21%	0.206	S	C	*	.			trans	-83.1	-11.3	170	57.4	0	0	0	0	113
1045	A	92.1	Very high	93	Very high	15 Å²	15	39.3 Å²	39.3	12%	0.124	21%	0.211	C	C	.	.			trans	-69.9	141.2	-177.6	0	0	0	0	0	112.4	T1043 Y1054	T1043-A1045 VanDerWaalsContact C-N 3.33Å; T1043-A1045 HydrophobicContact CG2-CB 4.43Å; T1043-A1045 PolarHBondContact OG1-N 2.86Å; A1045-Y1054 WeakPolarHBondContact O-CD1 3.25Å
1046	A	93.4	Very high	92.9	Very high	24 Å²	24	36.1 Å²	36.1	20%	0.198	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	158.2	175.6	0	0	0	0	0	112.3	C1048 Y1054 T1055 S1056 S1058	A1046-C1048 PolarHBondContact O-N 3.19Å; A1046-Y1054 CarbonylContact O-C 3.49Å; A1046-Y1054 WeakPolarHBondContact O-CA 3.3Å; A1046-T1055 PolarHBondContact O-N 3.28Å; A1046-S1056 PolarHBondContact N-O 2.89Å; A1046-S1056 PolarHBondContact O-N 2.66Å; A1046-S1058 VanDerWaalsContact CB-O 3.31Å; A1046-S1058 WeakPolarHBondContact CB-O 3.32Å
1047	R	93.4	Very high	92.6	Very high	119 Å²	119	44.6 Å²	44.6	45%	0.449	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	109	-177.6	-166.7	-173.3	-169.3	-168.6	7.1	111.2	R1052 Y1054	R1047-R1052 VanDerWaalsContact CG-O 3.31Å; R1047-R1052 WeakPolarHBondContact CG-O 3.36Å; R1047-R1052 PolarHBondContact NE-O 2.82Å; R1047-Y1054 HydrophobicContact CB-CD1 4.09Å; R1047-Y1054 HydrophobicContact CB-CD2 4.42Å; R1047-Y1054 HydrophobicContact CB-CE1 3.94Å; R1047-Y1054 HydrophobicContact CB-CE2 4.28Å; R1047-Y1054 HydrophobicContact CB-CG 4.33Å; R1047-Y1054 HydrophobicContact CG-CD2 4.22Å; R1047-Y1054 HydrophobicContact CG-CE2 4Å
1048	C	92.5	Very high	92.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.234	C	C	.	.			trans	-55.8	129.4	177.3	173.1	0	0	0	0	111.4	A1046 R1050 R1052 R1053 C1063	A1046-C1048 PolarHBondContact O-N 3.19Å; C1048-R1050 VanDerWaalsContact C-N 3.27Å; C1048-R1050 PolarHBondContact O-N 2.83Å; C1048-R1052 WeakPolarHBondContact O-CA 3.47Å; C1048-R1052 PolarHBondContact O-N 3.47Å; C1048-R1053 PolarHBondContact N-O 3.3Å; C1048-C1063 HydrophobicContact CB-CB 4.03Å; C1048-C1063 PolarHBondContact SG-N 2.92Å
1049	P	91.7	Very high	91.7	Very high	7 Å²	7	48 Å²	48	5%	0.045	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.8	-174.3	26.2	-32.6	0	0	0	113.8	Y125 C1061 L1062	Y125-P1049 HydrophobicContact CD2-CB 4.02Å; Y125-P1049 HydrophobicContact CD2-CG 3.96Å; Y125-P1049 HydrophobicContact CE2-CB 4.12Å; Y125-P1049 HydrophobicContact CE2-CG 3.64Å; P1049-C1061 WeakPolarHBondContact CD-O 3.48Å; P1049-L1062 HydrophobicContact CG-CD2 4.09Å
1050	R	91.8	Very high	91.1	Very high	11 Å²	11	53.1 Å²	53.1	4%	0.042	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-73	174.6	-175.7	173.6	174	-91.5	-2.7	112.6	Y125 T128 V129 C869 C1048 R1052 L1062 C1066	Y125-R1050 HydrophobicContact CG-CB 4.32Å; T128-R1050 PolarHBondContact O-NE 2.89Å; T128-R1050 PolarHBondContact O-NH2 3Å; T128-R1050 VanDerWaalsContact OG1-CD 3.29Å; T128-R1050 WeakPolarHBondContact OG1-CD 3.32Å; T128-R1050 PolarHBondContact OG1-NE 3.43Å; V129-R1050 HydrophobicContact CG2-CG 3.94Å; C869-R1050 PolarHBondContact O-NH1 2.94Å; C869-R1050 PolarHBondContact O-NH2 3.45Å; C1048-R1050 VanDerWaalsContact C-N 3.27Å; C1048-R1050 PolarHBondContact O-N 2.83Å; R1050-R1052 VanDerWaalsContact C-N 3.3Å; R1050-R1052 PolarHBondContact O-N 2.94Å; R1050-L1062 HydrophobicContact CB-CD2 3.59Å; R1050-C1066 HydrophobicContact CB-CB 4.29Å
1051	C	90.9	Very high	90.9	Very high	14 Å²	14	56.2 Å²	56.2	10%	0.095	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-9.3	-176.5	68.3	0	0	0	0	114.8	C869 R1053 C1066	C869-C1051 HydrophobicContact CB-CB 3.91Å; C1051-R1053 PolarHBondContact O-N 3.11Å; C1051-R1053 VanDerWaalsContact O-N 3.07Å; C1051-C1066 VanDerWaalsContact CB-SG 3.58Å; C1051-C1066 VanDerWaalsContact SG-SG 3.61Å
1052	R	90.6	Very high	90.8	Very high	142 Å²	142	54.6 Å²	54.6	54%	0.536	30%	0.298	S	S	.	.			trans	63	10.5	176.7	-59.7	177.9	171.9	-162.7	-6	115.8	R1047 C1048 R1050	R1047-R1052 VanDerWaalsContact CG-O 3.31Å; R1047-R1052 WeakPolarHBondContact CG-O 3.36Å; R1047-R1052 PolarHBondContact NE-O 2.82Å; C1048-R1052 WeakPolarHBondContact O-CA 3.47Å; C1048-R1052 PolarHBondContact O-N 3.47Å; R1050-R1052 VanDerWaalsContact C-N 3.3Å; R1050-R1052 PolarHBondContact O-N 2.94Å
1053	R	91.1	Very high	90.8	Very high	25 Å²	25	50.9 Å²	50.9	9%	0.094	27%	0.274	C	S	.	.	S	Bend	trans	-87	150.5	169.4	-65.7	-178.4	64.5	-152	-8.3	111.2	D865 S987 A997 C1048 C1051 T1055	D865-R1053 WeakPolarHBondContact OD2-CD 3.41Å; D865-R1053 IonicContact OD2-CZ 2.69Å; D865-R1053 IonicContact OD2-NE 3.83Å; D865-R1053 IonicContact OD2-NH1 2.78Å; D865-R1053 PolarHBondContact OD2-NH1 3.02Å; S987-R1053 PolarHBondContact O-NH1 3.15Å; S987-R1053 PolarHBondContact O-NH2 3.48Å; A997-R1053 PolarHBondContact O-NH2 3.31Å; C1048-R1053 PolarHBondContact N-O 3.3Å; C1051-R1053 PolarHBondContact O-N 3.11Å; C1051-R1053 VanDerWaalsContact O-N 3.07Å; R1053-T1055 HydrophobicContact CB-CG2 4.07Å; R1053-T1055 PolarHBondContact O-N 2.84Å; R1053-T1055 PolarHBondContact O-OG1 3.37Å
1054	Y	93.2	Very high	90.7	Very high	58 Å²	58	54.6 Å²	54.6	23%	0.227	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	88.2	179.1	-69	-106.3	0	0	0	108.8	S960 K961 A998 T1043 A1045 A1046 R1047	S960-Y1054 WeakPolarHBondContact O-CB 3.31Å; S960-Y1054 WeakPolarHBondContact O-CD2 3.48Å; K961-Y1054 WeakPolarHBondContact CE-OH 3.48Å; K961-Y1054 HydrophobicContact CG-CD2 4.07Å; K961-Y1054 HydrophobicContact CG-CE2 3.71Å; A998-Y1054 WeakPolarHBondContact CB-O 3.41Å; T1043-Y1054 HydrophobicContact CG2-CD1 4.33Å; T1043-Y1054 HydrophobicContact CG2-CG 4.22Å; A1045-Y1054 WeakPolarHBondContact O-CD1 3.25Å; A1046-Y1054 CarbonylContact O-C 3.49Å; A1046-Y1054 WeakPolarHBondContact O-CA 3.3Å; R1047-Y1054 HydrophobicContact CB-CD1 4.09Å; R1047-Y1054 HydrophobicContact CB-CD2 4.42Å; R1047-Y1054 HydrophobicContact CB-CE1 3.94Å; R1047-Y1054 HydrophobicContact CB-CE2 4.28Å; R1047-Y1054 HydrophobicContact CB-CG 4.33Å; R1047-Y1054 HydrophobicContact CG-CD2 4.22Å; R1047-Y1054 HydrophobicContact CG-CE2 4Å
1055	T	91.6	Very high	90.7	Very high	21 Å²	21	51 Å²	51	13%	0.129	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	2.7	-166.7	49.2	0	0	0	0	112.9	A1046 R1053 C1063	A1046-T1055 PolarHBondContact O-N 3.28Å; R1053-T1055 HydrophobicContact CB-CG2 4.07Å; R1053-T1055 PolarHBondContact O-N 2.84Å; R1053-T1055 PolarHBondContact O-OG1 3.37Å; T1055-C1063 WeakPolarHBondContact O-CB 3.43Å; T1055-C1063 WeakPolarHBondContact OG1-CB 3.45Å; T1055-C1063 PolarHBondContact OG1-SG 3.3Å; T1055-C1063 VanDerWaalsContact OG1-SG 3.37Å
1056	S	91.7	Very high	90.7	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.035	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	162.1	179.9	-166.4	0	0	0	0	111.1	A1046 S1058 C1061	A1046-S1056 PolarHBondContact N-O 2.89Å; A1046-S1056 PolarHBondContact O-N 2.66Å; S1056-S1058 VanDerWaalsContact CB-O 3.31Å; S1056-S1058 WeakPolarHBondContact CB-O 3.4Å; S1056-S1058 PolarHBondContact OG-O 2.84Å; S1056-S1058 VanDerWaalsContact OG-O 3.07Å; S1056-C1061 PolarHBondContact OG-O 2.93Å
1057	E	89.4	Confident	90.6	Very high	190 Å²	190	54.1 Å²	54.1	89%	0.888	28%	0.275	S	S	*	.	S	Bend	trans	-76.7	-29.9	173.9	-61.3	178.2	171.1	0	0	111.8
1058	S	89.8	Confident	90.4	Very high	41 Å²	41	52 Å²	52	29%	0.287	28%	0.275	S	S	.	.	S	Bend	trans	-142	168.8	178.4	80.8	0	0	0	0	111.6	A1046 S1056 D1060 C1061	A1046-S1058 VanDerWaalsContact CB-O 3.31Å; A1046-S1058 WeakPolarHBondContact CB-O 3.32Å; S1056-S1058 VanDerWaalsContact CB-O 3.31Å; S1056-S1058 WeakPolarHBondContact CB-O 3.4Å; S1056-S1058 PolarHBondContact OG-O 2.84Å; S1056-S1058 VanDerWaalsContact OG-O 3.07Å; S1058-D1060 VanDerWaalsContact C-N 3.3Å; S1058-D1060 PolarHBondContact O-N 3.2Å; S1058-C1061 WeakPolarHBondContact OG-CB 3.48Å; S1058-C1061 PolarHBondContact OG-N 2.61Å; S1058-C1061 PolarHBondContact OG-SG 3.14Å
1059	A	85.3	Confident	90.2	Very high	61 Å²	61	52.7 Å²	52.7	50%	0.504	28%	0.279	S	S	.	.	S	Bend	trans	-68.9	-28.6	-179	0	0	0	0	0	113.2
1060	D	84.1	Confident	90.1	Very high	108 Å²	108	54.3 Å²	54.3	58%	0.578	29%	0.289	S	S	*	.	S	Bend	trans	-94.8	-23.9	-174.4	-54.3	-74.2	0	0	0	112.9	S1058	S1058-D1060 VanDerWaalsContact C-N 3.3Å; S1058-D1060 PolarHBondContact O-N 3.2Å
1061	C	89.1	Confident	89.7	Confident	65 Å²	65	57.4 Å²	57.4	44%	0.439	31%	0.312	S	S	.	.	S	Bend	trans	-78.4	147.6	176.3	-70	0	0	0	0	112.6	P1049 S1056 S1058	P1049-C1061 WeakPolarHBondContact CD-O 3.48Å; S1056-C1061 PolarHBondContact OG-O 2.93Å; S1058-C1061 WeakPolarHBondContact OG-CB 3.48Å; S1058-C1061 PolarHBondContact OG-N 2.61Å; S1058-C1061 PolarHBondContact OG-SG 3.14Å
1062	L	91.6	Very high	88.5	Confident	17 Å²	17	64 Å²	64	9%	0.089	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-73.4	144.6	165.7	-65.2	-180	0	0	0	110.6	Y125 P1049 R1050 C1066 Q1067 V1070	Y125-L1062 HydrophobicContact CD1-CD1 4.33Å; Y125-L1062 HydrophobicContact CD1-CD2 4.12Å; Y125-L1062 HydrophobicContact CD2-CD2 4.16Å; Y125-L1062 HydrophobicContact CE1-CD1 3.75Å; Y125-L1062 HydrophobicContact CE1-CD2 3.89Å; Y125-L1062 HydrophobicContact CE1-CG 4.01Å; Y125-L1062 HydrophobicContact CE2-CD2 3.92Å; Y125-L1062 HydrophobicContact CE2-CG 4.48Å; Y125-L1062 HydrophobicContact CG-CD2 4.24Å; P1049-L1062 HydrophobicContact CG-CD2 4.09Å; R1050-L1062 HydrophobicContact CB-CD2 3.59Å; L1062-C1066 HydrophobicContact CB-CB 4.12Å; L1062-C1066 HydrophobicContact CD2-CB 4.15Å; L1062-Q1067 HydrophobicContact CB-CB 4.26Å; L1062-V1070 HydrophobicContact CD1-CB 4.12Å; L1062-V1070 HydrophobicContact CD1-CG2 3.84Å
1063	C	91.6	Very high	87	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.034	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-68.5	155.6	165.8	65.4	0	0	0	0	110.8	C1048 T1055 R1065 C1066 Q1067	C1048-C1063 HydrophobicContact CB-CB 4.03Å; C1048-C1063 PolarHBondContact SG-N 2.92Å; T1055-C1063 WeakPolarHBondContact O-CB 3.43Å; T1055-C1063 WeakPolarHBondContact OG1-CB 3.45Å; T1055-C1063 PolarHBondContact OG1-SG 3.3Å; T1055-C1063 VanDerWaalsContact OG1-SG 3.37Å; C1063-R1065 VanDerWaalsContact C-N 3.33Å; C1063-R1065 PolarHBondContact O-N 3Å; C1063-R1065 VanDerWaalsContact O-N 3.17Å; C1063-C1066 WeakPolarHBondContact O-CA 3.29Å; C1063-C1066 PolarHBondContact O-N 2.82Å; C1063-C1066 VanDerWaalsContact SG-SG 3.64Å; C1063-Q1067 PolarHBondContact O-N 2.86Å
1064	P	89.8	Confident	84.7	Confident	98 Å²	98	66.6 Å²	66.6	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-50.5	-47.4	-172.1	-30.5	36.1	0	0	0	113.9	C1066 Q1067 T1068	P1064-C1066 VanDerWaalsContact C-N 3.32Å; P1064-C1066 PolarHBondContact O-N 2.91Å; P1064-Q1067 WeakPolarHBondContact O-CB 3.29Å; P1064-Q1067 PolarHBondContact O-N 2.96Å; P1064-T1068 PolarHBondContact O-N 2.83Å; P1064-T1068 PolarHBondContact O-OG1 3.1Å; P1064-T1068 VanDerWaalsContact O-OG1 3.12Å
1065	R	90.1	Very high	84.3	Confident	45 Å²	45	67 Å²	67	17%	0.17	42%	0.421	C	S	.	.	H	α-helix	trans	-54.7	-45.1	175.4	-165.4	-170.3	74.9	-172.6	-1.8	112.4	D865 D988 C1063 V1069	D865-R1065 IonicContact OD1-CZ 3.09Å; D865-R1065 IonicContact OD1-NH1 2.56Å; D865-R1065 IonicContact OD1-NH2 3.33Å; D865-R1065 PolarHBondContact OD1-NH2 3.12Å; D865-R1065 IonicContact OD2-CZ 2.86Å; D865-R1065 VanDerWaalsContact OD2-CZ 3.31Å; D865-R1065 IonicContact OD2-NH1 3.2Å; D865-R1065 PolarHBondContact OD2-NH1 2.84Å; D865-R1065 IonicContact OD2-NH2 3.29Å; D865-R1065 PolarHBondContact OD2-NH2 2.83Å; D988-R1065 VanDerWaalsContact OD2-CD 3.28Å; D988-R1065 WeakPolarHBondContact OD2-CD 3.39Å; C1063-R1065 VanDerWaalsContact C-N 3.33Å; C1063-R1065 PolarHBondContact O-N 3Å; C1063-R1065 VanDerWaalsContact O-N 3.17Å; R1065-V1069 WeakPolarHBondContact O-CG2 3.43Å; R1065-V1069 PolarHBondContact O-N 2.85Å
1066	C	91.6	Very high	83.9	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-73	-34.5	179.5	-74.1	0	0	0	0	113.2	R1050 C1051 L1062 C1063 P1064 T1068 V1069 V1070	R1050-C1066 HydrophobicContact CB-CB 4.29Å; C1051-C1066 VanDerWaalsContact CB-SG 3.58Å; C1051-C1066 VanDerWaalsContact SG-SG 3.61Å; L1062-C1066 HydrophobicContact CB-CB 4.12Å; L1062-C1066 HydrophobicContact CD2-CB 4.15Å; C1063-C1066 WeakPolarHBondContact O-CA 3.29Å; C1063-C1066 PolarHBondContact O-N 2.82Å; C1063-C1066 VanDerWaalsContact SG-SG 3.64Å; P1064-C1066 VanDerWaalsContact C-N 3.32Å; P1064-C1066 PolarHBondContact O-N 2.91Å; C1066-T1068 VanDerWaalsContact C-N 3.3Å; C1066-V1069 PolarHBondContact O-N 2.98Å; C1066-V1070 WeakPolarHBondContact O-CG2 3.18Å; C1066-V1070 PolarHBondContact O-N 3.32Å; C1066-V1070 VanDerWaalsContact O-N 3.08Å
1067	Q	91.6	Very high	83.5	Confident	104 Å²	104	73 Å²	73	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-58.7	-46	173.6	-173.1	63.4	31.9	0	0	110	L1062 C1063 P1064 V1069 V1070 S1071	L1062-Q1067 HydrophobicContact CB-CB 4.26Å; C1063-Q1067 PolarHBondContact O-N 2.86Å; P1064-Q1067 WeakPolarHBondContact O-CB 3.29Å; P1064-Q1067 PolarHBondContact O-N 2.96Å; Q1067-V1069 PolarHBondContact O-N 2.88Å; Q1067-V1070 PolarHBondContact O-N 2.72Å; Q1067-S1071 WeakPolarHBondContact O-CB 3.45Å; Q1067-S1071 PolarHBondContact O-N 3.2Å; Q1067-S1071 PolarHBondContact O-OG 3.47Å
1068	T	88.7	Confident	83.1	Confident	73 Å²	73	66.1 Å²	66.1	45%	0.448	43%	0.433	S	S	.	.	H	α-helix	trans	-60.5	-43.5	176.1	-53	0	0	0	0	112.7	P1064 C1066 S1071 H1072	P1064-T1068 PolarHBondContact O-N 2.83Å; P1064-T1068 PolarHBondContact O-OG1 3.1Å; P1064-T1068 VanDerWaalsContact O-OG1 3.12Å; C1066-T1068 VanDerWaalsContact C-N 3.3Å; T1068-S1071 PolarHBondContact O-N 2.93Å; T1068-S1071 PolarHBondContact O-OG 3.09Å; T1068-S1071 VanDerWaalsContact O-OG 3.13Å; T1068-H1072 PolarHBondContact O-N 2.96Å; T1068-H1072 PolarHBondContact O-ND1 2.56Å
1069	V	89.9	Confident	82.7	Confident	17 Å²	17	67.7 Å²	67.7	10%	0.103	44%	0.442	C	S	.	.	H	α-helix	trans	-66	-40.7	178.9	-171.4	0	0	0	0	111.8	P871 R1065 C1066 Q1067 H1072	P871-V1069 HydrophobicContact CG-CG2 3.9Å; R1065-V1069 WeakPolarHBondContact O-CG2 3.43Å; R1065-V1069 PolarHBondContact O-N 2.85Å; C1066-V1069 PolarHBondContact O-N 2.98Å; Q1067-V1069 PolarHBondContact O-N 2.88Å; V1069-H1072 PolarHBondContact O-N 3.1Å
1070	V	89.1	Confident	82.5	Confident	41 Å²	41	68.1 Å²	68.1	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-70.3	-35.3	179.7	175.8	0	0	0	0	111.4	T128 L1062 C1066 Q1067 H1072 A1073	T128-V1070 HydrophobicContact CG2-CG2 4.42Å; L1062-V1070 HydrophobicContact CD1-CB 4.12Å; L1062-V1070 HydrophobicContact CD1-CG2 3.84Å; C1066-V1070 WeakPolarHBondContact O-CG2 3.18Å; C1066-V1070 PolarHBondContact O-N 3.32Å; C1066-V1070 VanDerWaalsContact O-N 3.08Å; Q1067-V1070 PolarHBondContact O-N 2.72Å; V1070-H1072 VanDerWaalsContact C-N 3.26Å; V1070-H1072 PolarHBondContact O-N 3.33Å; V1070-A1073 PolarHBondContact O-N 3.35Å
1071	S	83	Confident	82.4	Confident	75 Å²	75	65.3 Å²	65.3	52%	0.524	43%	0.428	S	S	.	.	H	α-helix	trans	-73.2	-11.9	179.2	76	0	0	0	0	114.9	Q1067 T1068	Q1067-S1071 WeakPolarHBondContact O-CB 3.45Å; Q1067-S1071 PolarHBondContact O-N 3.2Å; Q1067-S1071 PolarHBondContact O-OG 3.47Å; T1068-S1071 PolarHBondContact O-N 2.93Å; T1068-S1071 PolarHBondContact O-OG 3.09Å; T1068-S1071 VanDerWaalsContact O-OG 3.13Å
1072	H	66.7	Low	81.9	Confident	153 Å²	153	65.3 Å²	65.3	71%	0.708	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	4.2	175.9	-70.8	79.2	0	0	0	112.8	T1068 V1069 V1070	T1068-H1072 PolarHBondContact O-N 2.96Å; T1068-H1072 PolarHBondContact O-ND1 2.56Å; V1069-H1072 PolarHBondContact O-N 3.1Å; V1070-H1072 VanDerWaalsContact C-N 3.26Å; V1070-H1072 PolarHBondContact O-N 3.33Å
1073	A	57.6	Low	81.1	Confident	82 Å²	82	69.3 Å²	69.3	68%	0.678	46%	0.456	S	S	*	.			trans	-117.2	18.9	-174.3	0	0	0	0	0	113.6	V1070	V1070-A1073 PolarHBondContact O-N 3.35Å
1074	G	43.6	Very low	80.1	Confident	139 Å²	139	75.2 Å²	75.2	100%	1.433	49%	0.494	S	S	*	.			trans	-141.6	0	-179.5	0	0	0	0	0	112.8

Retrieved 1,074 of 1,074 residues in 791.2 ms (Link to these results)

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